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/YFV-11e66d90/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/YFV-11e66d90/inputs/seq.fa: 1
curr_seq: _UGACACCAGAGCAAAGGAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGACACCAGAGCAAAGGAUCC
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/YFV-11e66d90/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/YFV-11e66d90/inputs/seq.fa: 1
curr_seq: _UGACACCAGAGCAAAGGAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGACACCAGAGCAAAGGAUCC
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/YFV-11e66d90/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/YFV-11e66d90/inputs/seq.fa: 1
curr_seq: _UGACACCAGAGCAAAGGAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGACACCAGAGCAAAGGAUCC
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/YFV-11e66d90/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/YFV-11e66d90/inputs/seq.fa: 1
curr_seq: _UGACACCAGAGCAAAGGAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGACACCAGAGCAAAGGAUCC
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/YFV-11e66d90/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/YFV-11e66d90/inputs/seq.fa: 1
curr_seq: _UGACACCAGAGCAAAGGAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGACACCAGAGCAAAGGAUCC
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/YFV-11e66d90/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/YFV-11e66d90/inputs/seq.fa: 1
curr_seq: _UGACACCAGAGCAAAGGAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGACACCAGAGCAAAGGAUCC
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/YFV-11e66d90/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/YFV-11e66d90/inputs/seq.fa: 1
curr_seq: _UGACACCAGAGCAAAGGAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGACACCAGAGCAAAGGAUCC
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/YFV-11e66d90/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/YFV-11e66d90/inputs/seq.fa: 1
curr_seq: _UGACACCAGAGCAAAGGAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGACACCAGAGCAAAGGAUCC
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/YFV-11e66d90/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/YFV-11e66d90/inputs/seq.fa: 1
curr_seq: _UGACACCAGAGCAAAGGAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGACACCAGAGCAAAGGAUCC
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/YFV-11e66d90/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/YFV-11e66d90/inputs/seq.fa: 1
curr_seq: _UGACACCAGAGCAAAGGAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGACACCAGAGCAAAGGAUCC
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: -79.023143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.023143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.023143 (E_RNA)
where:
Base-Base interactions energy: -0.841
where: short stacking energy: -0.841
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: -79.023143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.023143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.023143 (E_RNA)
where:
Base-Base interactions energy: -0.841
where: short stacking energy: -0.841
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: -79.023143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.023143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.023143 (E_RNA)
where:
Base-Base interactions energy: -0.841
where: short stacking energy: -0.841
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: -79.023143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.023143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.023143 (E_RNA)
where:
Base-Base interactions energy: -0.841
where: short stacking energy: -0.841
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: -79.023143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.023143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.023143 (E_RNA)
where:
Base-Base interactions energy: -0.841
where: short stacking energy: -0.841
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: -79.023143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.023143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.023143 (E_RNA)
where:
Base-Base interactions energy: -0.841
where: short stacking energy: -0.841
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: -79.023143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.023143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.023143 (E_RNA)
where:
Base-Base interactions energy: -0.841
where: short stacking energy: -0.841
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: -79.023143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.023143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.023143 (E_RNA)
where:
Base-Base interactions energy: -0.841
where: short stacking energy: -0.841
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: -79.023143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.023143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.023143 (E_RNA)
where:
Base-Base interactions energy: -0.841
where: short stacking energy: -0.841
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: -79.023143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.023143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.023143 (E_RNA)
where:
Base-Base interactions energy: -0.841
where: short stacking energy: -0.841
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: -141.009261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.009261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.009261 (E_RNA)
where:
Base-Base interactions energy: -73.965
where: short stacking energy: -48.444
Base-Backbone interact. energy: -1.061
local terms energy: -65.983256
where:
bonds (distance) C4'-P energy: -16.902
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -12.678
flat angles P-C4'-P energy: -6.057
tors. eta vs tors. theta energy: -14.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -126.391939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.391939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.391939 (E_RNA)
where:
Base-Base interactions energy: -62.384
where: short stacking energy: -53.157
Base-Backbone interact. energy: -0.021
local terms energy: -63.987152
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -8.129
tors. eta vs tors. theta energy: -14.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -122.992779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.992779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.992779 (E_RNA)
where:
Base-Base interactions energy: -56.662
where: short stacking energy: -39.449
Base-Backbone interact. energy: -0.263
local terms energy: -66.067477
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -17.584
flat angles P-C4'-P energy: -10.070
tors. eta vs tors. theta energy: -9.109
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: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -159.009035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.009035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.009035 (E_RNA)
where:
Base-Base interactions energy: -96.637
where: short stacking energy: -50.575
Base-Backbone interact. energy: -0.091
local terms energy: -62.281876
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -12.383
flat angles P-C4'-P energy: -9.150
tors. eta vs tors. theta energy: -11.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -136.145071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.145071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.145071 (E_RNA)
where:
Base-Base interactions energy: -72.000
where: short stacking energy: -43.892
Base-Backbone interact. energy: -0.158
local terms energy: -63.987145
where:
bonds (distance) C4'-P energy: -16.132
bonds (distance) P-C4' energy: -15.370
flat angles C4'-P-C4' energy: -14.765
flat angles P-C4'-P energy: -6.754
tors. eta vs tors. theta energy: -10.966
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: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -103.971677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.971677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.971677 (E_RNA)
where:
Base-Base interactions energy: -45.356
where: short stacking energy: -44.550
Base-Backbone interact. energy: -0.014
local terms energy: -58.601309
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -13.844
flat angles C4'-P-C4' energy: -12.631
flat angles P-C4'-P energy: -4.584
tors. eta vs tors. theta energy: -12.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -90.688820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.688820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.688820 (E_RNA)
where:
Base-Base interactions energy: -31.357
where: short stacking energy: -25.555
Base-Backbone interact. energy: -0.204
local terms energy: -59.127406
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -15.259
flat angles C4'-P-C4' energy: -11.859
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -6.574
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: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -80.526608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.526608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.526608 (E_RNA)
where:
Base-Base interactions energy: -28.862
where: short stacking energy: -28.009
Base-Backbone interact. energy: -0.197
local terms energy: -51.467285
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -13.739
flat angles C4'-P-C4' energy: -11.302
flat angles P-C4'-P energy: -9.376
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: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -83.989120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.989120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.989120 (E_RNA)
where:
Base-Base interactions energy: -30.318
where: short stacking energy: -29.610
Base-Backbone interact. energy: 0.209
local terms energy: -53.879868
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -8.895
flat angles P-C4'-P energy: -9.915
tors. eta vs tors. theta energy: -6.200
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: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -78.430948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.430948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.430948 (E_RNA)
where:
Base-Base interactions energy: -2.767
where: short stacking energy: -2.767
Base-Backbone interact. energy: -0.000
local terms energy: -75.664249
where:
bonds (distance) C4'-P energy: -19.646
bonds (distance) P-C4' energy: -19.408
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -17.215
tors. eta vs tors. theta energy: -4.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -184.140068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.140068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.140068 (E_RNA)
where:
Base-Base interactions energy: -109.341
where: short stacking energy: -63.830
Base-Backbone interact. energy: -0.700
local terms energy: -74.099107
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -8.186
tors. eta vs tors. theta energy: -16.838
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: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -114.346720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.346720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.346720 (E_RNA)
where:
Base-Base interactions energy: -47.464
where: short stacking energy: -34.258
Base-Backbone interact. energy: -0.274
local terms energy: -66.609564
where:
bonds (distance) C4'-P energy: -15.626
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -11.345
tors. eta vs tors. theta energy: -7.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -156.865236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.865236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.865236 (E_RNA)
where:
Base-Base interactions energy: -95.858
where: short stacking energy: -41.495
Base-Backbone interact. energy: -0.005
local terms energy: -61.002318
where:
bonds (distance) C4'-P energy: -15.804
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -15.769
flat angles P-C4'-P energy: -6.366
tors. eta vs tors. theta energy: -5.303
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: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -159.974154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.974154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.974154 (E_RNA)
where:
Base-Base interactions energy: -94.308
where: short stacking energy: -59.191
Base-Backbone interact. energy: -0.130
local terms energy: -65.535633
where:
bonds (distance) C4'-P energy: -8.862
bonds (distance) P-C4' energy: -14.984
flat angles C4'-P-C4' energy: -15.331
flat angles P-C4'-P energy: -11.444
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: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -132.865690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.865690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.865690 (E_RNA)
where:
Base-Base interactions energy: -72.898
where: short stacking energy: -43.604
Base-Backbone interact. energy: -0.837
local terms energy: -59.131409
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -16.454
flat angles C4'-P-C4' energy: -12.913
flat angles P-C4'-P energy: -6.478
tors. eta vs tors. theta energy: -9.411
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: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -107.321582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.321582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.321582 (E_RNA)
where:
Base-Base interactions energy: -53.532
where: short stacking energy: -38.806
Base-Backbone interact. energy: -0.072
local terms energy: -53.717432
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -11.339
flat angles C4'-P-C4' energy: -15.321
flat angles P-C4'-P energy: -8.121
tors. eta vs tors. theta energy: -6.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -90.846959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.846959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.846959 (E_RNA)
where:
Base-Base interactions energy: -42.294
where: short stacking energy: -17.567
Base-Backbone interact. energy: 0.124
local terms energy: -48.676943
where:
bonds (distance) C4'-P energy: -12.452
bonds (distance) P-C4' energy: -13.061
flat angles C4'-P-C4' energy: -10.666
flat angles P-C4'-P energy: -6.426
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: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -86.129157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.129157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.129157 (E_RNA)
where:
Base-Base interactions energy: -29.088
where: short stacking energy: -29.088
Base-Backbone interact. energy: -0.267
local terms energy: -56.774643
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -14.497
flat angles C4'-P-C4' energy: -14.742
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -3.128
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: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -78.506986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.506986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.506986 (E_RNA)
where:
Base-Base interactions energy: -25.439
where: short stacking energy: -23.796
Base-Backbone interact. energy: -0.223
local terms energy: -52.845386
where:
bonds (distance) C4'-P energy: -13.354
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -11.882
flat angles P-C4'-P energy: -9.431
tors. eta vs tors. theta energy: -4.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -78.720258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.720258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.720258 (E_RNA)
where:
Base-Base interactions energy: -29.972
where: short stacking energy: -29.972
Base-Backbone interact. energy: -0.024
local terms energy: -48.724428
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -10.960
flat angles P-C4'-P energy: -2.679
tors. eta vs tors. theta energy: -8.013
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: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -173.109261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.109261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.109261 (E_RNA)
where:
Base-Base interactions energy: -100.674
where: short stacking energy: -60.903
Base-Backbone interact. energy: -0.015
local terms energy: -72.420104
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -17.613
flat angles C4'-P-C4' energy: -15.215
flat angles P-C4'-P energy: -8.026
tors. eta vs tors. theta energy: -16.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -119.926734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.926734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.926734 (E_RNA)
where:
Base-Base interactions energy: -55.415
where: short stacking energy: -40.035
Base-Backbone interact. energy: 0.175
local terms energy: -64.686449
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: -5.583
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: 3, replica: 4
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -167.804869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.804869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.804869 (E_RNA)
where:
Base-Base interactions energy: -100.512
where: short stacking energy: -62.864
Base-Backbone interact. energy: -0.022
local terms energy: -67.270342
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -15.811
flat angles C4'-P-C4' energy: -15.192
flat angles P-C4'-P energy: -7.864
tors. eta vs tors. theta energy: -15.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -157.457579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.457579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.457579 (E_RNA)
where:
Base-Base interactions energy: -87.070
where: short stacking energy: -51.491
Base-Backbone interact. energy: -0.014
local terms energy: -70.373202
where:
bonds (distance) C4'-P energy: -14.386
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -11.621
tors. eta vs tors. theta energy: -14.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -125.697435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.697435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.697435 (E_RNA)
where:
Base-Base interactions energy: -65.305
where: short stacking energy: -37.595
Base-Backbone interact. energy: -0.235
local terms energy: -60.157117
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -14.444
flat angles P-C4'-P energy: -6.610
tors. eta vs tors. theta energy: -6.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -97.857110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.857110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.857110 (E_RNA)
where:
Base-Base interactions energy: -52.618
where: short stacking energy: -28.137
Base-Backbone interact. energy: -0.412
local terms energy: -44.827193
where:
bonds (distance) C4'-P energy: -6.568
bonds (distance) P-C4' energy: -9.997
flat angles C4'-P-C4' energy: -15.408
flat angles P-C4'-P energy: -7.701
tors. eta vs tors. theta energy: -5.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -84.765119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.765119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.765119 (E_RNA)
where:
Base-Base interactions energy: -32.008
where: short stacking energy: -30.262
Base-Backbone interact. energy: -0.552
local terms energy: -52.204418
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -9.481
tors. eta vs tors. theta energy: 0.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -96.247239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.247239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.247239 (E_RNA)
where:
Base-Base interactions energy: -35.118
where: short stacking energy: -35.118
Base-Backbone interact. energy: -0.116
local terms energy: -61.013613
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -11.522
flat angles P-C4'-P energy: -9.071
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: 8
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -80.872038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.872038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.872038 (E_RNA)
where:
Base-Base interactions energy: -36.642
where: short stacking energy: -24.759
Base-Backbone interact. energy: -0.154
local terms energy: -44.076034
where:
bonds (distance) C4'-P energy: -8.257
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -13.063
flat angles P-C4'-P energy: -6.355
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: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -82.410279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.410279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.410279 (E_RNA)
where:
Base-Base interactions energy: -26.869
where: short stacking energy: -26.869
Base-Backbone interact. energy: -0.193
local terms energy: -55.348469
where:
bonds (distance) C4'-P energy: -14.516
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -10.914
flat angles P-C4'-P energy: -9.382
tors. eta vs tors. theta energy: -3.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -171.691099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.691099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.691099 (E_RNA)
where:
Base-Base interactions energy: -95.062
where: short stacking energy: -48.837
Base-Backbone interact. energy: -0.041
local terms energy: -76.587585
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -15.992
flat angles C4'-P-C4' energy: -15.843
flat angles P-C4'-P energy: -13.100
tors. eta vs tors. theta energy: -14.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -181.696639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.696639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.696639 (E_RNA)
where:
Base-Base interactions energy: -109.126
where: short stacking energy: -64.269
Base-Backbone interact. energy: -0.046
local terms energy: -72.525047
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -15.888
flat angles P-C4'-P energy: -8.226
tors. eta vs tors. theta energy: -17.410
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: 2
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -121.424074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.424074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.424074 (E_RNA)
where:
Base-Base interactions energy: -57.465
where: short stacking energy: -39.747
Base-Backbone interact. energy: -0.660
local terms energy: -63.299391
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -11.849
flat angles C4'-P-C4' energy: -15.634
flat angles P-C4'-P energy: -11.733
tors. eta vs tors. theta energy: -10.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -125.692494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.692494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.692494 (E_RNA)
where:
Base-Base interactions energy: -72.780
where: short stacking energy: -29.423
Base-Backbone interact. energy: -0.400
local terms energy: -52.513207
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -16.719
flat angles P-C4'-P energy: -6.972
tors. eta vs tors. theta energy: 0.039
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: 3
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -161.602340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.602340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.602340 (E_RNA)
where:
Base-Base interactions energy: -94.839
where: short stacking energy: -53.175
Base-Backbone interact. energy: -0.374
local terms energy: -66.389315
where:
bonds (distance) C4'-P energy: -17.733
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -10.188
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -15.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -95.471875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.471875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.471875 (E_RNA)
where:
Base-Base interactions energy: -40.182
where: short stacking energy: -39.025
Base-Backbone interact. energy: 1.002
local terms energy: -56.292361
where:
bonds (distance) C4'-P energy: -8.575
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -9.869
tors. eta vs tors. theta energy: -4.632
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: 5
Temperature: 1.200000
Total energy: -86.083287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.083287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.083287 (E_RNA)
where:
Base-Base interactions energy: -30.410
where: short stacking energy: -24.903
Base-Backbone interact. energy: -0.133
local terms energy: -55.540032
where:
bonds (distance) C4'-P energy: -15.434
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -10.734
flat angles P-C4'-P energy: -8.660
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: 8, replica: 8
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -79.039252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.039252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.039252 (E_RNA)
where:
Base-Base interactions energy: -37.642
where: short stacking energy: -14.799
Base-Backbone interact. energy: -0.394
local terms energy: -41.002788
where:
bonds (distance) C4'-P energy: -10.393
bonds (distance) P-C4' energy: -14.977
flat angles C4'-P-C4' energy: -14.600
flat angles P-C4'-P energy: -4.451
tors. eta vs tors. theta energy: 3.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -78.704849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.704849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.704849 (E_RNA)
where:
Base-Base interactions energy: -33.992
where: short stacking energy: -26.511
Base-Backbone interact. energy: -0.151
local terms energy: -44.562125
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -8.200
flat angles P-C4'-P energy: -6.470
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: 10, replica: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -75.018159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.018159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.018159 (E_RNA)
where:
Base-Base interactions energy: -29.561
where: short stacking energy: -21.553
Base-Backbone interact. energy: -0.647
local terms energy: -44.810529
where:
bonds (distance) C4'-P energy: -15.285
bonds (distance) P-C4' energy: -15.289
flat angles C4'-P-C4' energy: -9.487
flat angles P-C4'-P energy: -4.710
tors. eta vs tors. theta energy: -0.039
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: 1, replica: 4
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -175.119923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.119923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.119923 (E_RNA)
where:
Base-Base interactions energy: -105.297
where: short stacking energy: -61.280
Base-Backbone interact. energy: -0.716
local terms energy: -69.107281
where:
bonds (distance) C4'-P energy: -9.592
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -16.936
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -14.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -186.328584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.328584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.328584 (E_RNA)
where:
Base-Base interactions energy: -118.753
where: short stacking energy: -60.051
Base-Backbone interact. energy: -0.239
local terms energy: -67.336102
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -15.525
flat angles P-C4'-P energy: -10.514
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: 3, replica: 2
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -126.166798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.166798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.166798 (E_RNA)
where:
Base-Base interactions energy: -67.891
where: short stacking energy: -31.137
Base-Backbone interact. energy: -0.294
local terms energy: -57.981612
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -11.574
flat angles P-C4'-P energy: -5.472
tors. eta vs tors. theta energy: -6.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -140.469562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.469562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.469562 (E_RNA)
where:
Base-Base interactions energy: -76.324
where: short stacking energy: -36.892
Base-Backbone interact. energy: -0.188
local terms energy: -63.956885
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -11.276
tors. eta vs tors. theta energy: -4.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -163.199080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.199080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.199080 (E_RNA)
where:
Base-Base interactions energy: -93.000
where: short stacking energy: -56.578
Base-Backbone interact. energy: -0.192
local terms energy: -70.006929
where:
bonds (distance) C4'-P energy: -9.682
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -7.255
tors. eta vs tors. theta energy: -19.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -108.163871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.163871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.163871 (E_RNA)
where:
Base-Base interactions energy: -53.517
where: short stacking energy: -39.059
Base-Backbone interact. energy: -0.769
local terms energy: -53.877549
where:
bonds (distance) C4'-P energy: -16.253
bonds (distance) P-C4' energy: -13.214
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -6.914
tors. eta vs tors. theta energy: -2.325
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: 7, replica: 8
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -94.010637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.010637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.010637 (E_RNA)
where:
Base-Base interactions energy: -38.328
where: short stacking energy: -31.119
Base-Backbone interact. energy: 0.775
local terms energy: -56.458104
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -15.066
flat angles C4'-P-C4' energy: -14.287
flat angles P-C4'-P energy: -9.857
tors. eta vs tors. theta energy: -5.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -100.574573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.574573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.574573 (E_RNA)
where:
Base-Base interactions energy: -47.383
where: short stacking energy: -46.425
Base-Backbone interact. energy: -0.020
local terms energy: -53.171186
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -10.788
flat angles C4'-P-C4' energy: -10.747
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -9.644
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: 9, replica: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -71.698839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.698839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.698839 (E_RNA)
where:
Base-Base interactions energy: -20.665
where: short stacking energy: -20.665
Base-Backbone interact. energy: -0.235
local terms energy: -50.797890
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -13.549
flat angles C4'-P-C4' energy: -12.463
flat angles P-C4'-P energy: -8.028
tors. eta vs tors. theta energy: -3.011
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: 10, replica: 7
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -79.060188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.060188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.060188 (E_RNA)
where:
Base-Base interactions energy: -27.812
where: short stacking energy: -22.125
Base-Backbone interact. energy: 0.488
local terms energy: -51.736105
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -15.256
flat angles C4'-P-C4' energy: -12.046
flat angles P-C4'-P energy: -8.466
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: 4
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -177.454591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.454591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.454591 (E_RNA)
where:
Base-Base interactions energy: -112.437
where: short stacking energy: -50.868
Base-Backbone interact. energy: -0.101
local terms energy: -64.917137
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -17.267
flat angles P-C4'-P energy: -5.271
tors. eta vs tors. theta energy: -11.542
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: 2, replica: 1
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -168.188213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.188213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.188213 (E_RNA)
where:
Base-Base interactions energy: -99.932
where: short stacking energy: -56.614
Base-Backbone interact. energy: 0.961
local terms energy: -69.216947
where:
bonds (distance) C4'-P energy: -16.170
bonds (distance) P-C4' energy: -18.633
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -6.712
tors. eta vs tors. theta energy: -11.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -126.691577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.691577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.691577 (E_RNA)
where:
Base-Base interactions energy: -61.496
where: short stacking energy: -43.252
Base-Backbone interact. energy: -0.170
local terms energy: -65.025033
where:
bonds (distance) C4'-P energy: -16.714
bonds (distance) P-C4' energy: -14.914
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -10.098
tors. eta vs tors. theta energy: -7.706
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: 7
Temperature: 1.050000
Total energy: -159.912137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.912137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.912137 (E_RNA)
where:
Base-Base interactions energy: -94.193
where: short stacking energy: -55.255
Base-Backbone interact. energy: -0.121
local terms energy: -65.597909
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -14.021
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -6.556
tors. eta vs tors. theta energy: -15.362
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: 5
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -126.081697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.081697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.081697 (E_RNA)
where:
Base-Base interactions energy: -79.136
where: short stacking energy: -32.755
Base-Backbone interact. energy: -0.130
local terms energy: -46.815964
where:
bonds (distance) C4'-P energy: -7.379
bonds (distance) P-C4' energy: -12.748
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: -2.536
tors. eta vs tors. theta energy: -8.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -89.865423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.865423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.865423 (E_RNA)
where:
Base-Base interactions energy: -35.282
where: short stacking energy: -30.685
Base-Backbone interact. energy: -0.004
local terms energy: -54.579490
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -7.932
tors. eta vs tors. theta energy: -4.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -93.244290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.244290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.244290 (E_RNA)
where:
Base-Base interactions energy: -39.516
where: short stacking energy: -24.683
Base-Backbone interact. energy: -0.072
local terms energy: -53.655769
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -7.652
flat angles C4'-P-C4' energy: -13.131
flat angles P-C4'-P energy: -13.188
tors. eta vs tors. theta energy: -5.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -88.816463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.816463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.816463 (E_RNA)
where:
Base-Base interactions energy: -36.399
where: short stacking energy: -32.908
Base-Backbone interact. energy: -0.144
local terms energy: -52.273817
where:
bonds (distance) C4'-P energy: -12.599
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -11.828
flat angles P-C4'-P energy: -7.289
tors. eta vs tors. theta energy: -7.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -80.256604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.256604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.256604 (E_RNA)
where:
Base-Base interactions energy: -32.980
where: short stacking energy: -32.903
Base-Backbone interact. energy: -0.111
local terms energy: -47.166019
where:
bonds (distance) C4'-P energy: -7.532
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -15.022
flat angles P-C4'-P energy: -2.829
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: 7
Temperature: 1.350000
Total energy: -69.413702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.413702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.413702 (E_RNA)
where:
Base-Base interactions energy: -24.009
where: short stacking energy: -24.009
Base-Backbone interact. energy: -0.024
local terms energy: -45.380142
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -11.540
flat angles P-C4'-P energy: -1.379
tors. eta vs tors. theta energy: -2.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -183.093738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.093738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.093738 (E_RNA)
where:
Base-Base interactions energy: -107.019
where: short stacking energy: -64.538
Base-Backbone interact. energy: -0.403
local terms energy: -75.671675
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -15.210
flat angles P-C4'-P energy: -11.497
tors. eta vs tors. theta energy: -18.160
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: 4
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -186.613581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.613581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.613581 (E_RNA)
where:
Base-Base interactions energy: -115.135
where: short stacking energy: -57.924
Base-Backbone interact. energy: -0.267
local terms energy: -71.211775
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -13.366
tors. eta vs tors. theta energy: -14.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -166.602290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.602290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.602290 (E_RNA)
where:
Base-Base interactions energy: -98.669
where: short stacking energy: -57.096
Base-Backbone interact. energy: -0.764
local terms energy: -67.169562
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -12.107
tors. eta vs tors. theta energy: -9.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -113.607412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.607412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.607412 (E_RNA)
where:
Base-Base interactions energy: -47.087
where: short stacking energy: -37.027
Base-Backbone interact. energy: 1.001
local terms energy: -67.521256
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -15.876
flat angles P-C4'-P energy: -13.610
tors. eta vs tors. theta energy: -6.681
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: 5
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -157.931347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.931347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.931347 (E_RNA)
where:
Base-Base interactions energy: -96.676
where: short stacking energy: -46.832
Base-Backbone interact. energy: -0.196
local terms energy: -61.059263
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -15.664
flat angles P-C4'-P energy: -4.044
tors. eta vs tors. theta energy: -10.440
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: 8
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -115.206271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.206271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.206271 (E_RNA)
where:
Base-Base interactions energy: -55.074
where: short stacking energy: -34.905
Base-Backbone interact. energy: -0.017
local terms energy: -60.115171
where:
bonds (distance) C4'-P energy: -11.462
bonds (distance) P-C4' energy: -14.295
flat angles C4'-P-C4' energy: -14.340
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: -11.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -102.333229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.333229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.333229 (E_RNA)
where:
Base-Base interactions energy: -47.108
where: short stacking energy: -40.076
Base-Backbone interact. energy: -0.160
local terms energy: -55.065608
where:
bonds (distance) C4'-P energy: -15.967
bonds (distance) P-C4' energy: -12.880
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -9.355
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: 8, replica: 9
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -78.913619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.913619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.913619 (E_RNA)
where:
Base-Base interactions energy: -34.463
where: short stacking energy: -18.626
Base-Backbone interact. energy: 0.383
local terms energy: -44.833523
where:
bonds (distance) C4'-P energy: -15.058
bonds (distance) P-C4' energy: -12.557
flat angles C4'-P-C4' energy: -13.621
flat angles P-C4'-P energy: -6.921
tors. eta vs tors. theta energy: 3.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -81.284934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.284934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.284934 (E_RNA)
where:
Base-Base interactions energy: -34.482
where: short stacking energy: -27.072
Base-Backbone interact. energy: -0.073
local terms energy: -46.730317
where:
bonds (distance) C4'-P energy: -9.265
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -14.174
flat angles P-C4'-P energy: -7.559
tors. eta vs tors. theta energy: -1.823
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: 6
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -70.932850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.932850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.932850 (E_RNA)
where:
Base-Base interactions energy: -18.438
where: short stacking energy: -17.584
Base-Backbone interact. energy: -0.024
local terms energy: -52.470952
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -13.618
flat angles C4'-P-C4' energy: -12.515
flat angles P-C4'-P energy: -7.465
tors. eta vs tors. theta energy: -3.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -175.946058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.946058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.946058 (E_RNA)
where:
Base-Base interactions energy: -106.080
where: short stacking energy: -56.155
Base-Backbone interact. energy: -0.440
local terms energy: -69.425421
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -13.866
flat angles C4'-P-C4' energy: -17.538
flat angles P-C4'-P energy: -11.136
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: 2, replica: 3
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -185.032353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.032353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.032353 (E_RNA)
where:
Base-Base interactions energy: -108.793
where: short stacking energy: -60.363
Base-Backbone interact. energy: -0.006
local terms energy: -76.233317
where:
bonds (distance) C4'-P energy: -16.735
bonds (distance) P-C4' energy: -16.476
flat angles C4'-P-C4' energy: -15.212
flat angles P-C4'-P energy: -7.460
tors. eta vs tors. theta energy: -20.350
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: 3, replica: 4
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -161.114576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.114576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.114576 (E_RNA)
where:
Base-Base interactions energy: -95.013
where: short stacking energy: -38.647
Base-Backbone interact. energy: -0.268
local terms energy: -65.834251
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -15.701
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -10.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -164.502024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.502024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.502024 (E_RNA)
where:
Base-Base interactions energy: -96.847
where: short stacking energy: -60.032
Base-Backbone interact. energy: -0.011
local terms energy: -67.644770
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -8.276
tors. eta vs tors. theta energy: -15.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -119.304431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.304431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.304431 (E_RNA)
where:
Base-Base interactions energy: -55.460
where: short stacking energy: -46.792
Base-Backbone interact. energy: -0.603
local terms energy: -63.241377
where:
bonds (distance) C4'-P energy: -7.730
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -13.966
tors. eta vs tors. theta energy: -8.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -107.054913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.054913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.054913 (E_RNA)
where:
Base-Base interactions energy: -45.195
where: short stacking energy: -42.702
Base-Backbone interact. energy: -0.095
local terms energy: -61.765302
where:
bonds (distance) C4'-P energy: -10.265
bonds (distance) P-C4' energy: -15.176
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -11.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -97.649325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.649325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.649325 (E_RNA)
where:
Base-Base interactions energy: -34.799
where: short stacking energy: -28.611
Base-Backbone interact. energy: -0.370
local terms energy: -62.480796
where:
bonds (distance) C4'-P energy: -11.222
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -16.193
flat angles P-C4'-P energy: -13.325
tors. eta vs tors. theta energy: -4.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -76.578316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.578316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.578316 (E_RNA)
where:
Base-Base interactions energy: -32.248
where: short stacking energy: -28.396
Base-Backbone interact. energy: -0.027
local terms energy: -44.303063
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -8.664
flat angles C4'-P-C4' energy: -6.257
flat angles P-C4'-P energy: -6.463
tors. eta vs tors. theta energy: -6.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -84.266142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.266142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.266142 (E_RNA)
where:
Base-Base interactions energy: -40.606
where: short stacking energy: -18.201
Base-Backbone interact. energy: -0.687
local terms energy: -42.973510
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -6.065
flat angles P-C4'-P energy: -10.355
tors. eta vs tors. theta energy: 0.879
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: 9
Temperature: 1.350000
Total energy: -76.564717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.564717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.564717 (E_RNA)
where:
Base-Base interactions energy: -29.483
where: short stacking energy: -29.483
Base-Backbone interact. energy: -0.047
local terms energy: -47.034486
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -12.939
flat angles C4'-P-C4' energy: -12.189
flat angles P-C4'-P energy: -1.513
tors. eta vs tors. theta energy: -3.617
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: 3
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -193.943990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.943990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.943990 (E_RNA)
where:
Base-Base interactions energy: -115.360
where: short stacking energy: -70.975
Base-Backbone interact. energy: -0.024
local terms energy: -78.560197
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -18.651
flat angles C4'-P-C4' energy: -14.252
flat angles P-C4'-P energy: -8.682
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: 1
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -174.881846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.881846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.881846 (E_RNA)
where:
Base-Base interactions energy: -97.406
where: short stacking energy: -53.117
Base-Backbone interact. energy: -0.097
local terms energy: -77.378397
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -15.336
flat angles P-C4'-P energy: -14.627
tors. eta vs tors. theta energy: -14.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -180.460050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.460050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.460050 (E_RNA)
where:
Base-Base interactions energy: -108.433
where: short stacking energy: -59.410
Base-Backbone interact. energy: -0.068
local terms energy: -71.959429
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -15.736
flat angles P-C4'-P energy: -11.156
tors. eta vs tors. theta energy: -12.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -158.918767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.918767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.918767 (E_RNA)
where:
Base-Base interactions energy: -97.863
where: short stacking energy: -47.233
Base-Backbone interact. energy: -0.065
local terms energy: -60.990574
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -7.931
tors. eta vs tors. theta energy: -9.147
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: 10
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -121.483525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.483525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.483525 (E_RNA)
where:
Base-Base interactions energy: -58.122
where: short stacking energy: -47.122
Base-Backbone interact. energy: -0.318
local terms energy: -63.044034
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -11.588
flat angles P-C4'-P energy: -9.622
tors. eta vs tors. theta energy: -12.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -110.149999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.149999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.149999 (E_RNA)
where:
Base-Base interactions energy: -55.264
where: short stacking energy: -34.311
Base-Backbone interact. energy: 1.967
local terms energy: -56.852891
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -12.551
flat angles C4'-P-C4' energy: -14.256
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -6.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -96.518507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.518507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.518507 (E_RNA)
where:
Base-Base interactions energy: -37.657
where: short stacking energy: -28.707
Base-Backbone interact. energy: -1.179
local terms energy: -57.682846
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -8.735
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -8.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -79.894713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.894713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.894713 (E_RNA)
where:
Base-Base interactions energy: -30.406
where: short stacking energy: -17.958
Base-Backbone interact. energy: -1.500
local terms energy: -47.988945
where:
bonds (distance) C4'-P energy: -16.855
bonds (distance) P-C4' energy: -12.691
flat angles C4'-P-C4' energy: -12.310
flat angles P-C4'-P energy: -6.716
tors. eta vs tors. theta energy: 0.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -77.589571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.589571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.589571 (E_RNA)
where:
Base-Base interactions energy: -29.636
where: short stacking energy: -29.636
Base-Backbone interact. energy: 0.298
local terms energy: -48.251553
where:
bonds (distance) C4'-P energy: -12.125
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -8.969
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: 9
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -92.100611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.100611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.100611 (E_RNA)
where:
Base-Base interactions energy: -53.040
where: short stacking energy: -25.708
Base-Backbone interact. energy: -0.119
local terms energy: -38.942043
where:
bonds (distance) C4'-P energy: -12.332
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -10.391
flat angles P-C4'-P energy: -3.046
tors. eta vs tors. theta energy: 0.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -188.394339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.394339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.394339 (E_RNA)
where:
Base-Base interactions energy: -106.933
where: short stacking energy: -66.446
Base-Backbone interact. energy: -0.042
local terms energy: -81.420050
where:
bonds (distance) C4'-P energy: -15.146
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -17.538
flat angles P-C4'-P energy: -12.556
tors. eta vs tors. theta energy: -17.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -177.554066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.554066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.554066 (E_RNA)
where:
Base-Base interactions energy: -112.723
where: short stacking energy: -53.736
Base-Backbone interact. energy: 2.626
local terms energy: -67.456728
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -7.609
tors. eta vs tors. theta energy: -14.000
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: 3, replica: 1
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -189.937000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.937000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.937000 (E_RNA)
where:
Base-Base interactions energy: -119.169
where: short stacking energy: -62.542
Base-Backbone interact. energy: -0.031
local terms energy: -70.736641
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -15.522
flat angles P-C4'-P energy: -5.630
tors. eta vs tors. theta energy: -17.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -155.641432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.641432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.641432 (E_RNA)
where:
Base-Base interactions energy: -89.594
where: short stacking energy: -46.541
Base-Backbone interact. energy: -0.130
local terms energy: -65.917338
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -13.284
flat angles C4'-P-C4' energy: -16.628
flat angles P-C4'-P energy: -12.969
tors. eta vs tors. theta energy: -8.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -111.179834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.179834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.179834 (E_RNA)
where:
Base-Base interactions energy: -55.523
where: short stacking energy: -37.526
Base-Backbone interact. energy: -0.090
local terms energy: -55.566912
where:
bonds (distance) C4'-P energy: -13.563
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -13.546
flat angles P-C4'-P energy: -4.037
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: 6, replica: 7
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -94.973418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.973418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.973418 (E_RNA)
where:
Base-Base interactions energy: -45.710
where: short stacking energy: -29.290
Base-Backbone interact. energy: -0.236
local terms energy: -49.027567
where:
bonds (distance) C4'-P energy: -8.627
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -14.353
flat angles P-C4'-P energy: -4.885
tors. eta vs tors. theta energy: -4.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -86.333767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.333767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.333767 (E_RNA)
where:
Base-Base interactions energy: -29.515
where: short stacking energy: -27.681
Base-Backbone interact. energy: -0.234
local terms energy: -56.584358
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -10.159
flat angles P-C4'-P energy: -7.785
tors. eta vs tors. theta energy: -7.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -82.417848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.417848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.417848 (E_RNA)
where:
Base-Base interactions energy: -27.401
where: short stacking energy: -27.401
Base-Backbone interact. energy: -0.026
local terms energy: -54.991004
where:
bonds (distance) C4'-P energy: -14.565
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -9.416
flat angles P-C4'-P energy: -8.915
tors. eta vs tors. theta energy: -4.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -94.012549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.012549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.012549 (E_RNA)
where:
Base-Base interactions energy: -37.987
where: short stacking energy: -28.914
Base-Backbone interact. energy: -0.137
local terms energy: -55.888273
where:
bonds (distance) C4'-P energy: -6.608
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -13.321
tors. eta vs tors. theta energy: -4.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -80.289676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.289676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.289676 (E_RNA)
where:
Base-Base interactions energy: -35.418
where: short stacking energy: -11.319
Base-Backbone interact. energy: -0.520
local terms energy: -44.352412
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -11.834
flat angles P-C4'-P energy: -6.937
tors. eta vs tors. theta energy: 4.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -202.935934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.935934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.935934 (E_RNA)
where:
Base-Base interactions energy: -129.314
where: short stacking energy: -67.888
Base-Backbone interact. energy: -0.779
local terms energy: -72.842490
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -16.286
flat angles C4'-P-C4' energy: -14.577
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -16.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -184.324127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.324127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.324127 (E_RNA)
where:
Base-Base interactions energy: -122.626
where: short stacking energy: -48.473
Base-Backbone interact. energy: -0.225
local terms energy: -61.472992
where:
bonds (distance) C4'-P energy: -15.112
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -11.913
flat angles P-C4'-P energy: -7.580
tors. eta vs tors. theta energy: -10.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -168.905207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.905207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.905207 (E_RNA)
where:
Base-Base interactions energy: -104.575
where: short stacking energy: -48.534
Base-Backbone interact. energy: -0.278
local terms energy: -64.051563
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -4.790
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: 4, replica: 1
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -172.690607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.690607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.690607 (E_RNA)
where:
Base-Base interactions energy: -106.422
where: short stacking energy: -48.899
Base-Backbone interact. energy: -0.194
local terms energy: -66.074531
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -7.250
tors. eta vs tors. theta energy: -14.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -111.708518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.708518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.708518 (E_RNA)
where:
Base-Base interactions energy: -45.008
where: short stacking energy: -42.527
Base-Backbone interact. energy: -0.319
local terms energy: -66.381595
where:
bonds (distance) C4'-P energy: -17.957
bonds (distance) P-C4' energy: -8.962
flat angles C4'-P-C4' energy: -15.171
flat angles P-C4'-P energy: -12.850
tors. eta vs tors. theta energy: -11.442
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: 10
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -92.440914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.440914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.440914 (E_RNA)
where:
Base-Base interactions energy: -38.023
where: short stacking energy: -32.882
Base-Backbone interact. energy: -1.667
local terms energy: -52.750994
where:
bonds (distance) C4'-P energy: -8.602
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -15.301
flat angles P-C4'-P energy: -9.548
tors. eta vs tors. theta energy: -4.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -99.114424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.114424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.114424 (E_RNA)
where:
Base-Base interactions energy: -42.076
where: short stacking energy: -30.450
Base-Backbone interact. energy: -0.601
local terms energy: -56.437401
where:
bonds (distance) C4'-P energy: -10.767
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -7.913
tors. eta vs tors. theta energy: -7.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -83.493368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.493368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.493368 (E_RNA)
where:
Base-Base interactions energy: -39.662
where: short stacking energy: -35.818
Base-Backbone interact. energy: -0.067
local terms energy: -43.763886
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -15.912
flat angles C4'-P-C4' energy: -7.806
flat angles P-C4'-P energy: -0.203
tors. eta vs tors. theta energy: -6.200
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: 9
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -85.567390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.567390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.567390 (E_RNA)
where:
Base-Base interactions energy: -37.576
where: short stacking energy: -34.556
Base-Backbone interact. energy: -1.078
local terms energy: -46.912863
where:
bonds (distance) C4'-P energy: -9.283
bonds (distance) P-C4' energy: -13.571
flat angles C4'-P-C4' energy: -7.695
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -8.894
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: 10, replica: 8
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -77.394136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.394136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.394136 (E_RNA)
where:
Base-Base interactions energy: -32.162
where: short stacking energy: -19.369
Base-Backbone interact. energy: 0.578
local terms energy: -45.810648
where:
bonds (distance) C4'-P energy: -6.191
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -10.211
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: -2.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -193.986468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.986468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.986468 (E_RNA)
where:
Base-Base interactions energy: -121.380
where: short stacking energy: -60.277
Base-Backbone interact. energy: -0.216
local terms energy: -72.391186
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -17.669
flat angles C4'-P-C4' energy: -14.046
flat angles P-C4'-P energy: -9.207
tors. eta vs tors. theta energy: -16.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -184.164110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.164110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.164110 (E_RNA)
where:
Base-Base interactions energy: -106.883
where: short stacking energy: -60.235
Base-Backbone interact. energy: -0.361
local terms energy: -76.919733
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -16.260
flat angles P-C4'-P energy: -12.660
tors. eta vs tors. theta energy: -14.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -183.602838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.602838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.602838 (E_RNA)
where:
Base-Base interactions energy: -110.462
where: short stacking energy: -47.143
Base-Backbone interact. energy: -1.775
local terms energy: -71.366640
where:
bonds (distance) C4'-P energy: -16.490
bonds (distance) P-C4' energy: -14.044
flat angles C4'-P-C4' energy: -17.834
flat angles P-C4'-P energy: -10.290
tors. eta vs tors. theta energy: -12.708
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: 1
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -167.955148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.955148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.955148 (E_RNA)
where:
Base-Base interactions energy: -103.329
where: short stacking energy: -63.666
Base-Backbone interact. energy: -0.079
local terms energy: -64.547255
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -13.483
flat angles C4'-P-C4' energy: -15.184
flat angles P-C4'-P energy: -7.258
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: 5, replica: 7
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -103.847455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.847455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.847455 (E_RNA)
where:
Base-Base interactions energy: -45.171
where: short stacking energy: -34.568
Base-Backbone interact. energy: -0.148
local terms energy: -58.528712
where:
bonds (distance) C4'-P energy: -12.866
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -9.529
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: 6, replica: 2
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -93.553825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.553825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.553825 (E_RNA)
where:
Base-Base interactions energy: -40.551
where: short stacking energy: -21.801
Base-Backbone interact. energy: -0.200
local terms energy: -52.802875
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -10.210
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: 7, replica: 10
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -94.200667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.200667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.200667 (E_RNA)
where:
Base-Base interactions energy: -49.415
where: short stacking energy: -32.487
Base-Backbone interact. energy: -0.426
local terms energy: -44.359638
where:
bonds (distance) C4'-P energy: -8.215
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -11.866
flat angles P-C4'-P energy: -9.970
tors. eta vs tors. theta energy: 1.115
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: 8, replica: 6
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -78.426177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.426177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.426177 (E_RNA)
where:
Base-Base interactions energy: -23.495
where: short stacking energy: -23.398
Base-Backbone interact. energy: -0.118
local terms energy: -54.813869
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -12.571
flat angles C4'-P-C4' energy: -15.401
flat angles P-C4'-P energy: -9.776
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: 9, replica: 9
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -81.259709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.259709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.259709 (E_RNA)
where:
Base-Base interactions energy: -36.512
where: short stacking energy: -30.769
Base-Backbone interact. energy: -0.900
local terms energy: -43.847177
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -11.903
flat angles C4'-P-C4' energy: -12.134
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: 2.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -69.458875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.458875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.458875 (E_RNA)
where:
Base-Base interactions energy: -24.965
where: short stacking energy: -20.089
Base-Backbone interact. energy: -0.324
local terms energy: -44.169510
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -11.888
flat angles C4'-P-C4' energy: -10.153
flat angles P-C4'-P energy: -5.903
tors. eta vs tors. theta energy: -4.176
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: 3
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -190.555834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.555834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.555834 (E_RNA)
where:
Base-Base interactions energy: -119.749
where: short stacking energy: -63.646
Base-Backbone interact. energy: -0.360
local terms energy: -70.446770
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -12.375
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -19.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -178.853597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.853597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.853597 (E_RNA)
where:
Base-Base interactions energy: -116.723
where: short stacking energy: -55.152
Base-Backbone interact. energy: -0.131
local terms energy: -61.999290
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -10.141
flat angles P-C4'-P energy: -6.348
tors. eta vs tors. theta energy: -13.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -185.759610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.759610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.759610 (E_RNA)
where:
Base-Base interactions energy: -124.346
where: short stacking energy: -54.800
Base-Backbone interact. energy: -0.022
local terms energy: -61.391163
where:
bonds (distance) C4'-P energy: -10.982
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -9.340
tors. eta vs tors. theta energy: -12.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -168.638204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.638204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.638204 (E_RNA)
where:
Base-Base interactions energy: -106.515
where: short stacking energy: -53.457
Base-Backbone interact. energy: -0.165
local terms energy: -61.958610
where:
bonds (distance) C4'-P energy: -12.653
bonds (distance) P-C4' energy: -11.837
flat angles C4'-P-C4' energy: -12.948
flat angles P-C4'-P energy: -9.866
tors. eta vs tors. theta energy: -14.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -96.971388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.971388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.971388 (E_RNA)
where:
Base-Base interactions energy: -44.770
where: short stacking energy: -38.018
Base-Backbone interact. energy: 1.577
local terms energy: -53.778065
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -14.029
flat angles P-C4'-P energy: -8.227
tors. eta vs tors. theta energy: -2.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -109.031002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.031002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.031002 (E_RNA)
where:
Base-Base interactions energy: -41.524
where: short stacking energy: -41.524
Base-Backbone interact. energy: -0.001
local terms energy: -67.506874
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -15.999
flat angles C4'-P-C4' energy: -12.918
flat angles P-C4'-P energy: -7.857
tors. eta vs tors. theta energy: -14.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -92.437800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.437800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.437800 (E_RNA)
where:
Base-Base interactions energy: -40.781
where: short stacking energy: -40.536
Base-Backbone interact. energy: -0.102
local terms energy: -51.555267
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -8.541
flat angles C4'-P-C4' energy: -13.904
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -4.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -87.929303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.929303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.929303 (E_RNA)
where:
Base-Base interactions energy: -41.225
where: short stacking energy: -40.983
Base-Backbone interact. energy: -0.121
local terms energy: -46.583735
where:
bonds (distance) C4'-P energy: -11.131
bonds (distance) P-C4' energy: -7.040
flat angles C4'-P-C4' energy: -9.571
flat angles P-C4'-P energy: -11.726
tors. eta vs tors. theta energy: -7.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -83.688533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.688533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.688533 (E_RNA)
where:
Base-Base interactions energy: -31.544
where: short stacking energy: -30.203
Base-Backbone interact. energy: -0.076
local terms energy: -52.067777
where:
bonds (distance) C4'-P energy: -11.560
bonds (distance) P-C4' energy: -12.219
flat angles C4'-P-C4' energy: -13.776
flat angles P-C4'-P energy: -11.088
tors. eta vs tors. theta energy: -3.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -84.391394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.391394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.391394 (E_RNA)
where:
Base-Base interactions energy: -32.499
where: short stacking energy: -32.499
Base-Backbone interact. energy: -0.091
local terms energy: -51.801324
where:
bonds (distance) C4'-P energy: -9.391
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -12.023
flat angles P-C4'-P energy: -7.711
tors. eta vs tors. theta energy: -7.069
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: 15
Temperature: 0.900000
Total energy: -184.474044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.474044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.474044 (E_RNA)
where:
Base-Base interactions energy: -105.243
where: short stacking energy: -60.914
Base-Backbone interact. energy: -0.037
local terms energy: -79.194272
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -13.399
flat angles P-C4'-P energy: -11.251
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: 2, replica: 1
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -189.611512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.611512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.611512 (E_RNA)
where:
Base-Base interactions energy: -110.617
where: short stacking energy: -71.038
Base-Backbone interact. energy: -0.000
local terms energy: -78.994362
where:
bonds (distance) C4'-P energy: -14.957
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -12.104
tors. eta vs tors. theta energy: -23.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -164.745266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.745266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.745266 (E_RNA)
where:
Base-Base interactions energy: -98.849
where: short stacking energy: -44.854
Base-Backbone interact. energy: -0.156
local terms energy: -65.739925
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -18.694
flat angles C4'-P-C4' energy: -13.454
flat angles P-C4'-P energy: -12.398
tors. eta vs tors. theta energy: -6.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -102.846306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.846306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.846306 (E_RNA)
where:
Base-Base interactions energy: -50.094
where: short stacking energy: -44.115
Base-Backbone interact. energy: -0.168
local terms energy: -52.584409
where:
bonds (distance) C4'-P energy: -16.756
bonds (distance) P-C4' energy: -12.844
flat angles C4'-P-C4' energy: -9.075
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -3.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -140.408870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.408870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.408870 (E_RNA)
where:
Base-Base interactions energy: -75.970
where: short stacking energy: -46.498
Base-Backbone interact. energy: -0.193
local terms energy: -64.246300
where:
bonds (distance) C4'-P energy: -11.515
bonds (distance) P-C4' energy: -15.789
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -8.669
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: 6, replica: 10
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -99.520031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.520031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.520031 (E_RNA)
where:
Base-Base interactions energy: -44.314
where: short stacking energy: -35.442
Base-Backbone interact. energy: -0.394
local terms energy: -54.811323
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -9.703
tors. eta vs tors. theta energy: -0.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -96.267057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.267057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.267057 (E_RNA)
where:
Base-Base interactions energy: -38.572
where: short stacking energy: -36.118
Base-Backbone interact. energy: -0.059
local terms energy: -57.636211
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -15.028
flat angles C4'-P-C4' energy: -13.568
flat angles P-C4'-P energy: -8.449
tors. eta vs tors. theta energy: -6.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -98.559699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.559699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.559699 (E_RNA)
where:
Base-Base interactions energy: -42.365
where: short stacking energy: -28.208
Base-Backbone interact. energy: -0.056
local terms energy: -56.138893
where:
bonds (distance) C4'-P energy: -17.018
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -9.376
flat angles P-C4'-P energy: -11.839
tors. eta vs tors. theta energy: -4.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -76.847492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.847492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.847492 (E_RNA)
where:
Base-Base interactions energy: -25.061
where: short stacking energy: -22.578
Base-Backbone interact. energy: -0.050
local terms energy: -51.736941
where:
bonds (distance) C4'-P energy: -8.886
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -9.992
flat angles P-C4'-P energy: -7.766
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: 10, replica: 9
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -70.560227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.560227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.560227 (E_RNA)
where:
Base-Base interactions energy: -20.638
where: short stacking energy: -20.638
Base-Backbone interact. energy: 0.390
local terms energy: -50.311864
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -11.753
flat angles C4'-P-C4' energy: -12.254
flat angles P-C4'-P energy: -8.560
tors. eta vs tors. theta energy: -4.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -187.649412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.649412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.649412 (E_RNA)
where:
Base-Base interactions energy: -110.452
where: short stacking energy: -56.547
Base-Backbone interact. energy: -0.436
local terms energy: -76.761275
where:
bonds (distance) C4'-P energy: -18.321
bonds (distance) P-C4' energy: -13.302
flat angles C4'-P-C4' energy: -15.102
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -19.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -183.258899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.258899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.258899 (E_RNA)
where:
Base-Base interactions energy: -106.862
where: short stacking energy: -65.610
Base-Backbone interact. energy: 0.544
local terms energy: -76.941412
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -11.013
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: 3, replica: 5
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -166.039260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.039260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.039260 (E_RNA)
where:
Base-Base interactions energy: -95.544
where: short stacking energy: -51.425
Base-Backbone interact. energy: -0.717
local terms energy: -69.777875
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -17.654
flat angles C4'-P-C4' energy: -15.589
flat angles P-C4'-P energy: -8.704
tors. eta vs tors. theta energy: -13.405
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: 16
Temperature: 1.050000
Total energy: -106.265869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.265869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.265869 (E_RNA)
where:
Base-Base interactions energy: -43.992
where: short stacking energy: -40.986
Base-Backbone interact. energy: -0.124
local terms energy: -62.149613
where:
bonds (distance) C4'-P energy: -16.242
bonds (distance) P-C4' energy: -12.789
flat angles C4'-P-C4' energy: -12.444
flat angles P-C4'-P energy: -11.328
tors. eta vs tors. theta energy: -9.347
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: 5, replica: 4
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -135.655699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.655699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.655699 (E_RNA)
where:
Base-Base interactions energy: -77.694
where: short stacking energy: -47.789
Base-Backbone interact. energy: -0.036
local terms energy: -57.925031
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -12.669
flat angles P-C4'-P energy: -13.709
tors. eta vs tors. theta energy: -5.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -148.450369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.450369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.450369 (E_RNA)
where:
Base-Base interactions energy: -84.795
where: short stacking energy: -45.406
Base-Backbone interact. energy: -0.108
local terms energy: -63.547836
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -13.445
flat angles C4'-P-C4' energy: -11.447
flat angles P-C4'-P energy: -11.905
tors. eta vs tors. theta energy: -12.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -90.764262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.764262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.764262 (E_RNA)
where:
Base-Base interactions energy: -32.031
where: short stacking energy: -29.668
Base-Backbone interact. energy: -0.042
local terms energy: -58.691630
where:
bonds (distance) C4'-P energy: -15.006
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -14.059
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -3.976
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: 8
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -78.192720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.192720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.192720 (E_RNA)
where:
Base-Base interactions energy: -22.890
where: short stacking energy: -22.564
Base-Backbone interact. energy: -0.250
local terms energy: -55.052863
where:
bonds (distance) C4'-P energy: -8.921
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -11.764
tors. eta vs tors. theta energy: -4.044
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: 9
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -81.339914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.339914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.339914 (E_RNA)
where:
Base-Base interactions energy: -27.744
where: short stacking energy: -27.744
Base-Backbone interact. energy: -0.076
local terms energy: -53.519336
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -12.053
flat angles C4'-P-C4' energy: -15.660
flat angles P-C4'-P energy: -9.669
tors. eta vs tors. theta energy: -3.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -71.426151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.426151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.426151 (E_RNA)
where:
Base-Base interactions energy: -27.364
where: short stacking energy: -27.364
Base-Backbone interact. energy: -0.036
local terms energy: -44.025780
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -9.224
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -6.855
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: 1, replica: 1
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -190.231372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.231372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.231372 (E_RNA)
where:
Base-Base interactions energy: -122.112
where: short stacking energy: -60.446
Base-Backbone interact. energy: -0.185
local terms energy: -67.933955
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -11.730
flat angles C4'-P-C4' energy: -17.455
flat angles P-C4'-P energy: -7.204
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: 2, replica: 5
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -186.752917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.752917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.752917 (E_RNA)
where:
Base-Base interactions energy: -112.550
where: short stacking energy: -60.892
Base-Backbone interact. energy: -0.337
local terms energy: -73.866060
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -17.469
flat angles P-C4'-P energy: -11.338
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: 3, replica: 3
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -163.977896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.977896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.977896 (E_RNA)
where:
Base-Base interactions energy: -99.255
where: short stacking energy: -60.466
Base-Backbone interact. energy: -0.003
local terms energy: -64.720720
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -10.655
flat angles C4'-P-C4' energy: -14.467
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: -14.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -120.077561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.077561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.077561 (E_RNA)
where:
Base-Base interactions energy: -54.956
where: short stacking energy: -41.135
Base-Backbone interact. energy: -0.647
local terms energy: -64.474617
where:
bonds (distance) C4'-P energy: -10.493
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -12.644
tors. eta vs tors. theta energy: -10.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -116.400824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.400824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.400824 (E_RNA)
where:
Base-Base interactions energy: -55.518
where: short stacking energy: -46.829
Base-Backbone interact. energy: -0.842
local terms energy: -60.040302
where:
bonds (distance) C4'-P energy: -12.572
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -11.694
flat angles P-C4'-P energy: -7.842
tors. eta vs tors. theta energy: -13.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -150.099566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.099566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.099566 (E_RNA)
where:
Base-Base interactions energy: -92.630
where: short stacking energy: -43.239
Base-Backbone interact. energy: -0.265
local terms energy: -57.203833
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -10.236
flat angles C4'-P-C4' energy: -10.014
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: -11.117
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: 7, replica: 7
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -92.930545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.930545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.930545 (E_RNA)
where:
Base-Base interactions energy: -39.655
where: short stacking energy: -33.262
Base-Backbone interact. energy: -0.261
local terms energy: -53.015265
where:
bonds (distance) C4'-P energy: -11.300
bonds (distance) P-C4' energy: -11.585
flat angles C4'-P-C4' energy: -11.417
flat angles P-C4'-P energy: -9.454
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: 8, replica: 8
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -108.426107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.426107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.426107 (E_RNA)
where:
Base-Base interactions energy: -63.377
where: short stacking energy: -38.105
Base-Backbone interact. energy: -0.149
local terms energy: -44.900503
where:
bonds (distance) C4'-P energy: -11.213
bonds (distance) P-C4' energy: -17.521
flat angles C4'-P-C4' energy: -9.982
flat angles P-C4'-P energy: -1.176
tors. eta vs tors. theta energy: -5.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -91.070932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.070932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.070932 (E_RNA)
where:
Base-Base interactions energy: -38.470
where: short stacking energy: -38.470
Base-Backbone interact. energy: -0.036
local terms energy: -52.565088
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -16.980
flat angles C4'-P-C4' energy: -5.874
flat angles P-C4'-P energy: -11.285
tors. eta vs tors. theta energy: -5.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -72.175656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.175656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.175656 (E_RNA)
where:
Base-Base interactions energy: -26.830
where: short stacking energy: -26.830
Base-Backbone interact. energy: -0.137
local terms energy: -45.208687
where:
bonds (distance) C4'-P energy: -11.723
bonds (distance) P-C4' energy: -17.679
flat angles C4'-P-C4' energy: -9.810
flat angles P-C4'-P energy: -5.223
tors. eta vs tors. theta energy: -0.775
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: 5
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -192.783666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.783666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.783666 (E_RNA)
where:
Base-Base interactions energy: -119.289
where: short stacking energy: -59.544
Base-Backbone interact. energy: -0.703
local terms energy: -72.791268
where:
bonds (distance) C4'-P energy: -15.696
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -14.873
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: 1
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -190.558067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.558067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.558067 (E_RNA)
where:
Base-Base interactions energy: -124.355
where: short stacking energy: -53.214
Base-Backbone interact. energy: -0.410
local terms energy: -65.792863
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -15.563
flat angles P-C4'-P energy: -5.615
tors. eta vs tors. theta energy: -12.872
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: 3
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -177.945138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.945138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.945138 (E_RNA)
where:
Base-Base interactions energy: -104.583
where: short stacking energy: -54.459
Base-Backbone interact. energy: -0.805
local terms energy: -72.557489
where:
bonds (distance) C4'-P energy: -14.418
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -14.877
flat angles P-C4'-P energy: -11.984
tors. eta vs tors. theta energy: -14.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -124.582646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.582646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.582646 (E_RNA)
where:
Base-Base interactions energy: -60.409
where: short stacking energy: -42.293
Base-Backbone interact. energy: 0.221
local terms energy: -64.394935
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -12.760
flat angles C4'-P-C4' energy: -15.869
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -8.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -154.786447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.786447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.786447 (E_RNA)
where:
Base-Base interactions energy: -98.764
where: short stacking energy: -45.701
Base-Backbone interact. energy: -1.022
local terms energy: -55.000188
where:
bonds (distance) C4'-P energy: -9.416
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -16.120
flat angles P-C4'-P energy: -8.874
tors. eta vs tors. theta energy: -5.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -104.226785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.226785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.226785 (E_RNA)
where:
Base-Base interactions energy: -50.116
where: short stacking energy: -28.315
Base-Backbone interact. energy: -0.047
local terms energy: -54.063725
where:
bonds (distance) C4'-P energy: -15.062
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -11.645
flat angles P-C4'-P energy: -9.314
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: 7, replica: 8
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -98.428404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.428404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.428404 (E_RNA)
where:
Base-Base interactions energy: -46.743
where: short stacking energy: -36.361
Base-Backbone interact. energy: -0.279
local terms energy: -51.406554
where:
bonds (distance) C4'-P energy: -9.979
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -12.038
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: -4.383
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: 7
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -88.128915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.128915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.128915 (E_RNA)
where:
Base-Base interactions energy: -30.599
where: short stacking energy: -29.550
Base-Backbone interact. energy: -0.192
local terms energy: -57.337721
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -13.707
flat angles C4'-P-C4' energy: -9.887
flat angles P-C4'-P energy: -11.881
tors. eta vs tors. theta energy: -9.420
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: 9
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -84.360209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.360209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.360209 (E_RNA)
where:
Base-Base interactions energy: -26.557
where: short stacking energy: -26.557
Base-Backbone interact. energy: -0.193
local terms energy: -57.610565
where:
bonds (distance) C4'-P energy: -9.660
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -17.461
flat angles P-C4'-P energy: -5.883
tors. eta vs tors. theta energy: -8.608
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: 6
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -79.527568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.527568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.527568 (E_RNA)
where:
Base-Base interactions energy: -33.103
where: short stacking energy: -33.103
Base-Backbone interact. energy: 1.472
local terms energy: -47.896446
where:
bonds (distance) C4'-P energy: -7.730
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -13.174
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: 0.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -174.681500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.681500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.681500 (E_RNA)
where:
Base-Base interactions energy: -101.037
where: short stacking energy: -60.153
Base-Backbone interact. energy: -0.693
local terms energy: -72.951358
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -16.873
flat angles P-C4'-P energy: -10.319
tors. eta vs tors. theta energy: -15.820
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: 1
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -196.663062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.663062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.663062 (E_RNA)
where:
Base-Base interactions energy: -127.804
where: short stacking energy: -53.072
Base-Backbone interact. energy: -0.194
local terms energy: -68.665193
where:
bonds (distance) C4'-P energy: -13.679
bonds (distance) P-C4' energy: -17.604
flat angles C4'-P-C4' energy: -15.780
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: -11.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -190.875232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.875232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.875232 (E_RNA)
where:
Base-Base interactions energy: -123.688
where: short stacking energy: -56.172
Base-Backbone interact. energy: -0.103
local terms energy: -67.084397
where:
bonds (distance) C4'-P energy: -13.587
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -16.688
flat angles P-C4'-P energy: -10.344
tors. eta vs tors. theta energy: -13.405
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: 10
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -147.204190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.204190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.204190 (E_RNA)
where:
Base-Base interactions energy: -86.819
where: short stacking energy: -46.163
Base-Backbone interact. energy: -0.028
local terms energy: -60.357549
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -9.672
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -9.555
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: 5, replica: 4
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -154.906699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.906699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.906699 (E_RNA)
where:
Base-Base interactions energy: -96.114
where: short stacking energy: -43.629
Base-Backbone interact. energy: -0.057
local terms energy: -58.734959
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -9.703
flat angles P-C4'-P energy: -7.317
tors. eta vs tors. theta energy: -12.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -94.454318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.454318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.454318 (E_RNA)
where:
Base-Base interactions energy: -37.970
where: short stacking energy: -28.017
Base-Backbone interact. energy: -0.086
local terms energy: -56.397645
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -12.367
flat angles P-C4'-P energy: -10.547
tors. eta vs tors. theta energy: -5.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -100.108827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.108827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.108827 (E_RNA)
where:
Base-Base interactions energy: -47.656
where: short stacking energy: -29.762
Base-Backbone interact. energy: -0.061
local terms energy: -52.391609
where:
bonds (distance) C4'-P energy: -9.251
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -15.064
flat angles P-C4'-P energy: -6.280
tors. eta vs tors. theta energy: -7.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -78.969754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.969754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.969754 (E_RNA)
where:
Base-Base interactions energy: -26.949
where: short stacking energy: -26.680
Base-Backbone interact. energy: -0.311
local terms energy: -51.709337
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -6.515
tors. eta vs tors. theta energy: -3.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -80.256468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.256468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.256468 (E_RNA)
where:
Base-Base interactions energy: -37.351
where: short stacking energy: -36.508
Base-Backbone interact. energy: -0.262
local terms energy: -42.642878
where:
bonds (distance) C4'-P energy: -9.771
bonds (distance) P-C4' energy: -10.679
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: -2.683
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: 6
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -72.947920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.947920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.947920 (E_RNA)
where:
Base-Base interactions energy: -26.607
where: short stacking energy: -25.237
Base-Backbone interact. energy: 0.362
local terms energy: -46.703021
where:
bonds (distance) C4'-P energy: -11.502
bonds (distance) P-C4' energy: -12.947
flat angles C4'-P-C4' energy: -14.330
flat angles P-C4'-P energy: -4.378
tors. eta vs tors. theta energy: -3.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -198.334439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.334439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.334439 (E_RNA)
where:
Base-Base interactions energy: -127.984
where: short stacking energy: -53.714
Base-Backbone interact. energy: -0.144
local terms energy: -70.205859
where:
bonds (distance) C4'-P energy: -12.371
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -13.084
tors. eta vs tors. theta energy: -12.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -179.315589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.315589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.315589 (E_RNA)
where:
Base-Base interactions energy: -114.962
where: short stacking energy: -60.568
Base-Backbone interact. energy: -0.169
local terms energy: -64.183873
where:
bonds (distance) C4'-P energy: -10.723
bonds (distance) P-C4' energy: -13.565
flat angles C4'-P-C4' energy: -16.500
flat angles P-C4'-P energy: -8.483
tors. eta vs tors. theta energy: -14.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -189.134880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.134880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.134880 (E_RNA)
where:
Base-Base interactions energy: -115.664
where: short stacking energy: -52.954
Base-Backbone interact. energy: -0.355
local terms energy: -73.115800
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -16.872
flat angles P-C4'-P energy: -11.732
tors. eta vs tors. theta energy: -12.920
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: 10
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -203.174324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.174324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.174324 (E_RNA)
where:
Base-Base interactions energy: -130.383
where: short stacking energy: -62.755
Base-Backbone interact. energy: -0.085
local terms energy: -72.706583
where:
bonds (distance) C4'-P energy: -10.265
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -11.982
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: 4
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -162.168726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.168726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.168726 (E_RNA)
where:
Base-Base interactions energy: -97.147
where: short stacking energy: -46.015
Base-Backbone interact. energy: -0.160
local terms energy: -64.862536
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -13.256
flat angles C4'-P-C4' energy: -15.318
flat angles P-C4'-P energy: -7.502
tors. eta vs tors. theta energy: -14.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -96.320287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.320287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.320287 (E_RNA)
where:
Base-Base interactions energy: -40.004
where: short stacking energy: -35.328
Base-Backbone interact. energy: -0.212
local terms energy: -56.103947
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -13.735
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -11.730
tors. eta vs tors. theta energy: -1.522
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: 7, replica: 2
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -93.173699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.173699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.173699 (E_RNA)
where:
Base-Base interactions energy: -35.128
where: short stacking energy: -35.128
Base-Backbone interact. energy: 0.228
local terms energy: -58.272910
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -8.785
flat angles P-C4'-P energy: -11.018
tors. eta vs tors. theta energy: -5.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -84.954804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.954804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.954804 (E_RNA)
where:
Base-Base interactions energy: -30.243
where: short stacking energy: -30.243
Base-Backbone interact. energy: 0.931
local terms energy: -55.643552
where:
bonds (distance) C4'-P energy: -11.644
bonds (distance) P-C4' energy: -14.848
flat angles C4'-P-C4' energy: -11.004
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: -7.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -78.620101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.620101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.620101 (E_RNA)
where:
Base-Base interactions energy: -30.621
where: short stacking energy: -30.621
Base-Backbone interact. energy: -0.448
local terms energy: -47.550826
where:
bonds (distance) C4'-P energy: -10.785
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -10.409
flat angles P-C4'-P energy: -7.876
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: 10, replica: 7
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -81.027164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.027164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.027164 (E_RNA)
where:
Base-Base interactions energy: -31.222
where: short stacking energy: -29.872
Base-Backbone interact. energy: -0.151
local terms energy: -49.654076
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -11.621
flat angles P-C4'-P energy: -2.469
tors. eta vs tors. theta energy: -6.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -193.668027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.668027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.668027 (E_RNA)
where:
Base-Base interactions energy: -125.962
where: short stacking energy: -57.121
Base-Backbone interact. energy: 0.887
local terms energy: -68.592626
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -10.424
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -13.524
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: 3
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -190.987422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.987422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.987422 (E_RNA)
where:
Base-Base interactions energy: -120.315
where: short stacking energy: -54.571
Base-Backbone interact. energy: -0.104
local terms energy: -70.568425
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -11.791
tors. eta vs tors. theta energy: -12.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -164.895655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.895655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.895655 (E_RNA)
where:
Base-Base interactions energy: -104.039
where: short stacking energy: -50.639
Base-Backbone interact. energy: -0.031
local terms energy: -60.825356
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -15.025
flat angles P-C4'-P energy: -5.596
tors. eta vs tors. theta energy: -12.041
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: 10
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -209.314003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.314003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.314003 (E_RNA)
where:
Base-Base interactions energy: -134.611
where: short stacking energy: -66.816
Base-Backbone interact. energy: -0.013
local terms energy: -74.689997
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -10.953
tors. eta vs tors. theta energy: -21.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -155.277366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.277366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.277366 (E_RNA)
where:
Base-Base interactions energy: -94.826
where: short stacking energy: -48.124
Base-Backbone interact. energy: -0.047
local terms energy: -60.404321
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -13.652
flat angles C4'-P-C4' energy: -13.798
flat angles P-C4'-P energy: -4.433
tors. eta vs tors. theta energy: -13.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -98.947169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.947169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.947169 (E_RNA)
where:
Base-Base interactions energy: -42.829
where: short stacking energy: -42.829
Base-Backbone interact. energy: -0.119
local terms energy: -55.999350
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -6.775
tors. eta vs tors. theta energy: -7.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -97.768152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.768152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.768152 (E_RNA)
where:
Base-Base interactions energy: -40.546
where: short stacking energy: -40.546
Base-Backbone interact. energy: 0.438
local terms energy: -57.659901
where:
bonds (distance) C4'-P energy: -10.141
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -14.482
flat angles P-C4'-P energy: -9.640
tors. eta vs tors. theta energy: -6.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -98.263569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.263569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.263569 (E_RNA)
where:
Base-Base interactions energy: -47.984
where: short stacking energy: -35.309
Base-Backbone interact. energy: -0.084
local terms energy: -50.196086
where:
bonds (distance) C4'-P energy: -12.074
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -8.667
flat angles P-C4'-P energy: -5.223
tors. eta vs tors. theta energy: -10.307
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: 21
Temperature: 1.300000
Total energy: -80.977069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.977069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.977069 (E_RNA)
where:
Base-Base interactions energy: -30.897
where: short stacking energy: -30.711
Base-Backbone interact. energy: -0.305
local terms energy: -49.775004
where:
bonds (distance) C4'-P energy: -13.160
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -6.071
flat angles P-C4'-P energy: -8.334
tors. eta vs tors. theta energy: -4.933
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: 10, replica: 7
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -78.081155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.081155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.081155 (E_RNA)
where:
Base-Base interactions energy: -29.741
where: short stacking energy: -22.170
Base-Backbone interact. energy: -0.367
local terms energy: -47.972426
where:
bonds (distance) C4'-P energy: -10.972
bonds (distance) P-C4' energy: -15.313
flat angles C4'-P-C4' energy: -11.096
flat angles P-C4'-P energy: -6.759
tors. eta vs tors. theta energy: -3.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -195.567586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.567586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.567586 (E_RNA)
where:
Base-Base interactions energy: -129.547
where: short stacking energy: -62.045
Base-Backbone interact. energy: -0.316
local terms energy: -65.705032
where:
bonds (distance) C4'-P energy: -16.355
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -13.797
flat angles P-C4'-P energy: -7.706
tors. eta vs tors. theta energy: -11.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -175.817549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.817549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.817549 (E_RNA)
where:
Base-Base interactions energy: -116.578
where: short stacking energy: -51.764
Base-Backbone interact. energy: 0.230
local terms energy: -59.469597
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -12.157
flat angles C4'-P-C4' energy: -14.289
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -10.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -212.353656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.353656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.353656 (E_RNA)
where:
Base-Base interactions energy: -139.636
where: short stacking energy: -61.631
Base-Backbone interact. energy: -0.005
local terms energy: -72.713039
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -10.076
tors. eta vs tors. theta energy: -16.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -168.869534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.869534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.869534 (E_RNA)
where:
Base-Base interactions energy: -102.855
where: short stacking energy: -50.540
Base-Backbone interact. energy: -0.361
local terms energy: -65.652753
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -16.576
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: -11.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -162.866241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.866241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.866241 (E_RNA)
where:
Base-Base interactions energy: -97.312
where: short stacking energy: -60.957
Base-Backbone interact. energy: 0.210
local terms energy: -65.764861
where:
bonds (distance) C4'-P energy: -8.174
bonds (distance) P-C4' energy: -11.046
flat angles C4'-P-C4' energy: -16.317
flat angles P-C4'-P energy: -9.757
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: 2
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -101.833547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.833547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.833547 (E_RNA)
where:
Base-Base interactions energy: -45.193
where: short stacking energy: -45.193
Base-Backbone interact. energy: -0.058
local terms energy: -56.582693
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -11.696
flat angles P-C4'-P energy: -11.865
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: 7, replica: 8
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -86.745725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.745725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.745725 (E_RNA)
where:
Base-Base interactions energy: -33.794
where: short stacking energy: -33.794
Base-Backbone interact. energy: -0.050
local terms energy: -52.902000
where:
bonds (distance) C4'-P energy: -13.073
bonds (distance) P-C4' energy: -10.181
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -5.371
tors. eta vs tors. theta energy: -8.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -85.651937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.651937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.651937 (E_RNA)
where:
Base-Base interactions energy: -27.731
where: short stacking energy: -27.398
Base-Backbone interact. energy: 0.228
local terms energy: -58.148558
where:
bonds (distance) C4'-P energy: -17.245
bonds (distance) P-C4' energy: -13.774
flat angles C4'-P-C4' energy: -11.620
flat angles P-C4'-P energy: -6.035
tors. eta vs tors. theta energy: -9.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -86.620064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.620064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.620064 (E_RNA)
where:
Base-Base interactions energy: -31.676
where: short stacking energy: -25.480
Base-Backbone interact. energy: -0.216
local terms energy: -54.727910
where:
bonds (distance) C4'-P energy: -13.125
bonds (distance) P-C4' energy: -11.110
flat angles C4'-P-C4' energy: -18.159
flat angles P-C4'-P energy: -7.493
tors. eta vs tors. theta energy: -4.840
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: 9
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -72.588531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.588531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.588531 (E_RNA)
where:
Base-Base interactions energy: -31.577
where: short stacking energy: -29.228
Base-Backbone interact. energy: -0.162
local terms energy: -40.849128
where:
bonds (distance) C4'-P energy: -13.129
bonds (distance) P-C4' energy: -7.355
flat angles C4'-P-C4' energy: -10.197
flat angles P-C4'-P energy: -9.365
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: 1, replica: 3
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -195.567171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.567171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.567171 (E_RNA)
where:
Base-Base interactions energy: -132.851
where: short stacking energy: -60.683
Base-Backbone interact. energy: -0.035
local terms energy: -62.680873
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -13.502
flat angles P-C4'-P energy: -6.330
tors. eta vs tors. theta energy: -14.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -222.282982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.282982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.282982 (E_RNA)
where:
Base-Base interactions energy: -140.695
where: short stacking energy: -71.322
Base-Backbone interact. energy: 0.114
local terms energy: -81.702225
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -17.366
flat angles P-C4'-P energy: -13.185
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: 3, replica: 1
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -185.641506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.641506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.641506 (E_RNA)
where:
Base-Base interactions energy: -113.088
where: short stacking energy: -64.050
Base-Backbone interact. energy: 0.433
local terms energy: -72.986253
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -10.363
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: 4, replica: 4
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -157.233821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.233821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.233821 (E_RNA)
where:
Base-Base interactions energy: -96.288
where: short stacking energy: -45.735
Base-Backbone interact. energy: -0.300
local terms energy: -60.645648
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -14.862
flat angles C4'-P-C4' energy: -13.550
flat angles P-C4'-P energy: -8.505
tors. eta vs tors. theta energy: -11.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -157.315262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.315262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.315262 (E_RNA)
where:
Base-Base interactions energy: -85.803
where: short stacking energy: -54.922
Base-Backbone interact. energy: 0.322
local terms energy: -71.833957
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -10.114
tors. eta vs tors. theta energy: -15.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -90.525092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.525092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.525092 (E_RNA)
where:
Base-Base interactions energy: -40.049
where: short stacking energy: -39.308
Base-Backbone interact. energy: -0.102
local terms energy: -50.374060
where:
bonds (distance) C4'-P energy: -7.624
bonds (distance) P-C4' energy: -12.742
flat angles C4'-P-C4' energy: -14.673
flat angles P-C4'-P energy: -6.817
tors. eta vs tors. theta energy: -8.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -107.799301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.799301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.799301 (E_RNA)
where:
Base-Base interactions energy: -37.775
where: short stacking energy: -35.379
Base-Backbone interact. energy: -0.024
local terms energy: -70.000552
where:
bonds (distance) C4'-P energy: -16.786
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -16.800
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: -10.105
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: 7
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -78.795030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.795030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.795030 (E_RNA)
where:
Base-Base interactions energy: -31.043
where: short stacking energy: -31.043
Base-Backbone interact. energy: -0.838
local terms energy: -46.914303
where:
bonds (distance) C4'-P energy: -10.268
bonds (distance) P-C4' energy: -11.921
flat angles C4'-P-C4' energy: -11.630
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -2.495
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: 23
Temperature: 1.300000
Total energy: -80.596906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.596906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.596906 (E_RNA)
where:
Base-Base interactions energy: -27.349
where: short stacking energy: -26.744
Base-Backbone interact. energy: -0.134
local terms energy: -53.113896
where:
bonds (distance) C4'-P energy: -16.478
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -11.019
flat angles P-C4'-P energy: -7.302
tors. eta vs tors. theta energy: -3.473
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: 10, replica: 9
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -82.205523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.205523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.205523 (E_RNA)
where:
Base-Base interactions energy: -39.334
where: short stacking energy: -39.334
Base-Backbone interact. energy: 1.802
local terms energy: -44.673053
where:
bonds (distance) C4'-P energy: -10.145
bonds (distance) P-C4' energy: -10.450
flat angles C4'-P-C4' energy: -9.301
flat angles P-C4'-P energy: -10.853
tors. eta vs tors. theta energy: -3.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -223.858959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.858959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.858959 (E_RNA)
where:
Base-Base interactions energy: -140.501
where: short stacking energy: -72.655
Base-Backbone interact. energy: 0.100
local terms energy: -83.457354
where:
bonds (distance) C4'-P energy: -17.038
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -15.396
flat angles P-C4'-P energy: -11.849
tors. eta vs tors. theta energy: -22.359
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: 24
Temperature: 0.950000
Total energy: -197.507641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.507641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.507641 (E_RNA)
where:
Base-Base interactions energy: -127.154
where: short stacking energy: -63.872
Base-Backbone interact. energy: -0.520
local terms energy: -69.832694
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -17.809
flat angles P-C4'-P energy: -10.780
tors. eta vs tors. theta energy: -14.683
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: 4
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -171.926551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.926551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.926551 (E_RNA)
where:
Base-Base interactions energy: -106.137
where: short stacking energy: -50.329
Base-Backbone interact. energy: 1.501
local terms energy: -67.290709
where:
bonds (distance) C4'-P energy: -15.674
bonds (distance) P-C4' energy: -10.502
flat angles C4'-P-C4' energy: -15.932
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: -13.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -190.399255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.399255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.399255 (E_RNA)
where:
Base-Base interactions energy: -120.713
where: short stacking energy: -56.011
Base-Backbone interact. energy: 0.507
local terms energy: -70.193556
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -12.076
flat angles P-C4'-P energy: -9.110
tors. eta vs tors. theta energy: -18.694
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: 5
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -162.475652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.475652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.475652 (E_RNA)
where:
Base-Base interactions energy: -102.147
where: short stacking energy: -45.044
Base-Backbone interact. energy: 1.138
local terms energy: -61.465959
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -8.822
tors. eta vs tors. theta energy: -7.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -104.041322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.041322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.041322 (E_RNA)
where:
Base-Base interactions energy: -41.219
where: short stacking energy: -41.219
Base-Backbone interact. energy: -0.010
local terms energy: -62.812300
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -16.397
flat angles P-C4'-P energy: -9.085
tors. eta vs tors. theta energy: -9.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -84.762259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.762259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.762259 (E_RNA)
where:
Base-Base interactions energy: -28.978
where: short stacking energy: -27.214
Base-Backbone interact. energy: -0.203
local terms energy: -55.581333
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -14.004
flat angles P-C4'-P energy: -4.754
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: 8, replica: 7
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -94.265727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.265727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.265727 (E_RNA)
where:
Base-Base interactions energy: -45.113
where: short stacking energy: -24.861
Base-Backbone interact. energy: -1.276
local terms energy: -47.876976
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -11.785
flat angles P-C4'-P energy: -2.609
tors. eta vs tors. theta energy: -2.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -78.438436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.438436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.438436 (E_RNA)
where:
Base-Base interactions energy: -22.186
where: short stacking energy: -22.186
Base-Backbone interact. energy: -0.446
local terms energy: -55.806015
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -3.967
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: 6
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -75.623623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.623623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.623623 (E_RNA)
where:
Base-Base interactions energy: -26.967
where: short stacking energy: -26.581
Base-Backbone interact. energy: -0.083
local terms energy: -48.573132
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -13.013
flat angles C4'-P-C4' energy: -10.836
flat angles P-C4'-P energy: -11.342
tors. eta vs tors. theta energy: 0.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -223.051617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.051617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.051617 (E_RNA)
where:
Base-Base interactions energy: -140.162
where: short stacking energy: -73.798
Base-Backbone interact. energy: -0.936
local terms energy: -81.954392
where:
bonds (distance) C4'-P energy: -16.501
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -17.266
flat angles P-C4'-P energy: -9.332
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: 2, replica: 4
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -178.038728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.038728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.038728 (E_RNA)
where:
Base-Base interactions energy: -103.387
where: short stacking energy: -65.535
Base-Backbone interact. energy: -0.087
local terms energy: -74.565440
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -9.567
tors. eta vs tors. theta energy: -17.298
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: 3
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -169.906127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.906127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.906127 (E_RNA)
where:
Base-Base interactions energy: -104.021
where: short stacking energy: -53.820
Base-Backbone interact. energy: -0.052
local terms energy: -65.833240
where:
bonds (distance) C4'-P energy: -11.250
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -15.046
flat angles P-C4'-P energy: -9.454
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: 4, replica: 1
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -169.177941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.177941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.177941 (E_RNA)
where:
Base-Base interactions energy: -95.800
where: short stacking energy: -54.953
Base-Backbone interact. energy: 1.365
local terms energy: -74.742780
where:
bonds (distance) C4'-P energy: -15.406
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -13.369
flat angles P-C4'-P energy: -14.451
tors. eta vs tors. theta energy: -17.079
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: 5
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -154.899548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.899548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.899548 (E_RNA)
where:
Base-Base interactions energy: -92.593
where: short stacking energy: -40.421
Base-Backbone interact. energy: -0.240
local terms energy: -62.066402
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -13.044
flat angles C4'-P-C4' energy: -13.439
flat angles P-C4'-P energy: -11.993
tors. eta vs tors. theta energy: -10.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -97.310287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.310287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.310287 (E_RNA)
where:
Base-Base interactions energy: -41.303
where: short stacking energy: -41.180
Base-Backbone interact. energy: -0.038
local terms energy: -55.969273
where:
bonds (distance) C4'-P energy: -11.370
bonds (distance) P-C4' energy: -12.021
flat angles C4'-P-C4' energy: -14.639
flat angles P-C4'-P energy: -5.753
tors. eta vs tors. theta energy: -12.186
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: 8
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -92.456525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.456525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.456525 (E_RNA)
where:
Base-Base interactions energy: -42.287
where: short stacking energy: -31.839
Base-Backbone interact. energy: -0.665
local terms energy: -49.505153
where:
bonds (distance) C4'-P energy: -11.717
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -11.586
flat angles P-C4'-P energy: -9.795
tors. eta vs tors. theta energy: 0.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -83.187477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.187477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.187477 (E_RNA)
where:
Base-Base interactions energy: -34.370
where: short stacking energy: -34.370
Base-Backbone interact. energy: 0.718
local terms energy: -49.536205
where:
bonds (distance) C4'-P energy: -11.777
bonds (distance) P-C4' energy: -10.937
flat angles C4'-P-C4' energy: -11.408
flat angles P-C4'-P energy: -8.045
tors. eta vs tors. theta energy: -7.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -78.628402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.628402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.628402 (E_RNA)
where:
Base-Base interactions energy: -30.729
where: short stacking energy: -30.729
Base-Backbone interact. energy: -0.298
local terms energy: -47.601457
where:
bonds (distance) C4'-P energy: -16.774
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -12.317
flat angles P-C4'-P energy: -4.174
tors. eta vs tors. theta energy: 0.281
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: 6
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -73.265506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.265506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.265506 (E_RNA)
where:
Base-Base interactions energy: -22.877
where: short stacking energy: -22.877
Base-Backbone interact. energy: -0.149
local terms energy: -50.239117
where:
bonds (distance) C4'-P energy: -12.500
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -13.109
flat angles P-C4'-P energy: -5.110
tors. eta vs tors. theta energy: -1.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -219.595351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.595351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.595351 (E_RNA)
where:
Base-Base interactions energy: -142.452
where: short stacking energy: -75.639
Base-Backbone interact. energy: -0.042
local terms energy: -77.102036
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -16.089
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -20.281
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: 2, replica: 4
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -178.946336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.946336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.946336 (E_RNA)
where:
Base-Base interactions energy: -106.798
where: short stacking energy: -68.332
Base-Backbone interact. energy: -0.278
local terms energy: -71.870076
where:
bonds (distance) C4'-P energy: -11.779
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -12.787
flat angles P-C4'-P energy: -12.467
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: 26
Temperature: 1.000000
Total energy: -179.298771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.298771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.298771 (E_RNA)
where:
Base-Base interactions energy: -102.380
where: short stacking energy: -54.601
Base-Backbone interact. energy: -0.759
local terms energy: -76.159876
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -5.885
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: 4, replica: 1
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -174.944292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.944292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.944292 (E_RNA)
where:
Base-Base interactions energy: -101.648
where: short stacking energy: -55.597
Base-Backbone interact. energy: -0.019
local terms energy: -73.276662
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -14.942
flat angles C4'-P-C4' energy: -16.242
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -19.709
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: 5, replica: 2
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -104.817830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.817830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.817830 (E_RNA)
where:
Base-Base interactions energy: -48.071
where: short stacking energy: -39.560
Base-Backbone interact. energy: 0.182
local terms energy: -56.929133
where:
bonds (distance) C4'-P energy: -14.452
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -8.593
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -7.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -154.987096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.987096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.987096 (E_RNA)
where:
Base-Base interactions energy: -97.292
where: short stacking energy: -41.968
Base-Backbone interact. energy: -0.154
local terms energy: -57.541636
where:
bonds (distance) C4'-P energy: -13.054
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -15.603
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -7.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -97.370657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.370657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.370657 (E_RNA)
where:
Base-Base interactions energy: -37.786
where: short stacking energy: -33.970
Base-Backbone interact. energy: -0.221
local terms energy: -59.364092
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -7.949
tors. eta vs tors. theta energy: -6.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -88.063965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.063965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.063965 (E_RNA)
where:
Base-Base interactions energy: -36.621
where: short stacking energy: -35.216
Base-Backbone interact. energy: -0.225
local terms energy: -51.218432
where:
bonds (distance) C4'-P energy: -10.513
bonds (distance) P-C4' energy: -11.824
flat angles C4'-P-C4' energy: -14.974
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -5.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -87.125942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.125942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.125942 (E_RNA)
where:
Base-Base interactions energy: -31.970
where: short stacking energy: -31.970
Base-Backbone interact. energy: -0.335
local terms energy: -54.820545
where:
bonds (distance) C4'-P energy: -9.156
bonds (distance) P-C4' energy: -16.015
flat angles C4'-P-C4' energy: -12.395
flat angles P-C4'-P energy: -8.308
tors. eta vs tors. theta energy: -8.946
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: 6
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -78.565354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.565354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.565354 (E_RNA)
where:
Base-Base interactions energy: -30.658
where: short stacking energy: -30.658
Base-Backbone interact. energy: -0.069
local terms energy: -47.838438
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -14.558
flat angles C4'-P-C4' energy: -12.780
flat angles P-C4'-P energy: -7.100
tors. eta vs tors. theta energy: 0.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -214.138297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.138297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.138297 (E_RNA)
where:
Base-Base interactions energy: -137.827
where: short stacking energy: -63.949
Base-Backbone interact. energy: -0.008
local terms energy: -76.303684
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -16.827
flat angles P-C4'-P energy: -11.391
tors. eta vs tors. theta energy: -19.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -182.943250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.943250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.943250 (E_RNA)
where:
Base-Base interactions energy: -109.033
where: short stacking energy: -65.110
Base-Backbone interact. energy: -0.012
local terms energy: -73.898876
where:
bonds (distance) C4'-P energy: -11.683
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -15.736
flat angles P-C4'-P energy: -10.613
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: 3, replica: 4
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -162.863577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.863577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.863577 (E_RNA)
where:
Base-Base interactions energy: -93.051
where: short stacking energy: -57.879
Base-Backbone interact. energy: -0.303
local terms energy: -69.510109
where:
bonds (distance) C4'-P energy: -16.372
bonds (distance) P-C4' energy: -17.006
flat angles C4'-P-C4' energy: -16.074
flat angles P-C4'-P energy: -7.339
tors. eta vs tors. theta energy: -12.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -179.367088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.367088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.367088 (E_RNA)
where:
Base-Base interactions energy: -109.053
where: short stacking energy: -63.715
Base-Backbone interact. energy: -0.045
local terms energy: -70.269764
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -17.081
flat angles P-C4'-P energy: -7.103
tors. eta vs tors. theta energy: -19.126
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: 2
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -116.900234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.900234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.900234 (E_RNA)
where:
Base-Base interactions energy: -53.401
where: short stacking energy: -39.590
Base-Backbone interact. energy: -1.697
local terms energy: -61.802193
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: -7.574
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: 6, replica: 5
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -128.714629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.714629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.714629 (E_RNA)
where:
Base-Base interactions energy: -74.694
where: short stacking energy: -35.779
Base-Backbone interact. energy: -0.094
local terms energy: -53.926534
where:
bonds (distance) C4'-P energy: -16.400
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -11.149
flat angles P-C4'-P energy: -8.800
tors. eta vs tors. theta energy: -2.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -110.355460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.355460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.355460 (E_RNA)
where:
Base-Base interactions energy: -46.831
where: short stacking energy: -31.388
Base-Backbone interact. energy: -0.784
local terms energy: -62.739913
where:
bonds (distance) C4'-P energy: -14.874
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -7.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -87.481488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.481488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.481488 (E_RNA)
where:
Base-Base interactions energy: -31.431
where: short stacking energy: -29.697
Base-Backbone interact. energy: -0.012
local terms energy: -56.038250
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -8.740
flat angles P-C4'-P energy: -12.722
tors. eta vs tors. theta energy: -5.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -85.103013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.103013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.103013 (E_RNA)
where:
Base-Base interactions energy: -32.644
where: short stacking energy: -32.644
Base-Backbone interact. energy: -0.015
local terms energy: -52.444211
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -12.293
flat angles C4'-P-C4' energy: -10.345
flat angles P-C4'-P energy: -10.331
tors. eta vs tors. theta energy: -5.017
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: 6
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -73.003388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.003388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.003388 (E_RNA)
where:
Base-Base interactions energy: -34.219
where: short stacking energy: -27.439
Base-Backbone interact. energy: 1.011
local terms energy: -39.796116
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -7.685
flat angles C4'-P-C4' energy: -4.606
flat angles P-C4'-P energy: -13.235
tors. eta vs tors. theta energy: -2.412
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: 10
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -218.028737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.028737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.028737 (E_RNA)
where:
Base-Base interactions energy: -137.866
where: short stacking energy: -67.758
Base-Backbone interact. energy: -0.101
local terms energy: -80.061857
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -18.274
flat angles P-C4'-P energy: -12.102
tors. eta vs tors. theta energy: -20.757
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: 3
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -185.559288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.559288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.559288 (E_RNA)
where:
Base-Base interactions energy: -109.772
where: short stacking energy: -66.075
Base-Backbone interact. energy: -0.001
local terms energy: -75.786318
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -15.530
flat angles C4'-P-C4' energy: -16.480
flat angles P-C4'-P energy: -10.179
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: 3, replica: 1
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -183.211637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.211637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.211637 (E_RNA)
where:
Base-Base interactions energy: -112.087
where: short stacking energy: -70.449
Base-Backbone interact. energy: -0.004
local terms energy: -71.120649
where:
bonds (distance) C4'-P energy: -9.057
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -21.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -156.794925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.794925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.794925 (E_RNA)
where:
Base-Base interactions energy: -97.201
where: short stacking energy: -55.334
Base-Backbone interact. energy: 0.377
local terms energy: -59.970862
where:
bonds (distance) C4'-P energy: -14.793
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -16.281
flat angles P-C4'-P energy: -5.565
tors. eta vs tors. theta energy: -9.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -142.841284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.841284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.841284 (E_RNA)
where:
Base-Base interactions energy: -82.762
where: short stacking energy: -47.653
Base-Backbone interact. energy: -0.014
local terms energy: -60.065241
where:
bonds (distance) C4'-P energy: -9.296
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -7.604
tors. eta vs tors. theta energy: -9.695
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: 2
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -108.209698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.209698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.209698 (E_RNA)
where:
Base-Base interactions energy: -47.312
where: short stacking energy: -47.222
Base-Backbone interact. energy: 0.675
local terms energy: -61.572888
where:
bonds (distance) C4'-P energy: -9.914
bonds (distance) P-C4' energy: -12.272
flat angles C4'-P-C4' energy: -17.290
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: -12.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -90.756507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.756507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.756507 (E_RNA)
where:
Base-Base interactions energy: -40.182
where: short stacking energy: -28.752
Base-Backbone interact. energy: -0.215
local terms energy: -50.359407
where:
bonds (distance) C4'-P energy: -11.113
bonds (distance) P-C4' energy: -17.771
flat angles C4'-P-C4' energy: -10.087
flat angles P-C4'-P energy: -9.219
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: 8, replica: 9
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -71.064193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.064193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.064193 (E_RNA)
where:
Base-Base interactions energy: -27.588
where: short stacking energy: -18.853
Base-Backbone interact. energy: 0.067
local terms energy: -43.543048
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -12.262
flat angles C4'-P-C4' energy: -7.232
flat angles P-C4'-P energy: -6.144
tors. eta vs tors. theta energy: -1.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -78.682577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.682577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.682577 (E_RNA)
where:
Base-Base interactions energy: -30.645
where: short stacking energy: -30.645
Base-Backbone interact. energy: -0.074
local terms energy: -47.963517
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -15.097
flat angles P-C4'-P energy: -2.744
tors. eta vs tors. theta energy: -1.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -80.284184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.284184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.284184 (E_RNA)
where:
Base-Base interactions energy: -29.847
where: short stacking energy: -25.187
Base-Backbone interact. energy: -0.638
local terms energy: -49.799302
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -12.933
flat angles C4'-P-C4' energy: -13.290
flat angles P-C4'-P energy: -4.936
tors. eta vs tors. theta energy: -4.953
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: 10
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -219.586387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.586387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.586387 (E_RNA)
where:
Base-Base interactions energy: -140.315
where: short stacking energy: -77.553
Base-Backbone interact. energy: -0.057
local terms energy: -79.214371
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: -20.999
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: 1
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -183.698885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.698885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.698885 (E_RNA)
where:
Base-Base interactions energy: -113.244
where: short stacking energy: -61.813
Base-Backbone interact. energy: -0.019
local terms energy: -70.435460
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -14.555
flat angles C4'-P-C4' energy: -15.704
flat angles P-C4'-P energy: -11.962
tors. eta vs tors. theta energy: -13.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -179.255889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.255889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.255889 (E_RNA)
where:
Base-Base interactions energy: -109.668
where: short stacking energy: -70.143
Base-Backbone interact. energy: -0.003
local terms energy: -69.585530
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -14.300
flat angles P-C4'-P energy: -9.234
tors. eta vs tors. theta energy: -19.803
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: 5
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -144.878114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.878114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.878114 (E_RNA)
where:
Base-Base interactions energy: -79.768
where: short stacking energy: -40.630
Base-Backbone interact. energy: -0.331
local terms energy: -64.779743
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -15.201
flat angles P-C4'-P energy: -9.682
tors. eta vs tors. theta energy: -12.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -159.439403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.439403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.439403 (E_RNA)
where:
Base-Base interactions energy: -84.519
where: short stacking energy: -46.902
Base-Backbone interact. energy: -0.102
local terms energy: -74.817774
where:
bonds (distance) C4'-P energy: -17.399
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: -13.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -97.939802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.939802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.939802 (E_RNA)
where:
Base-Base interactions energy: -48.665
where: short stacking energy: -41.699
Base-Backbone interact. energy: -0.091
local terms energy: -49.184176
where:
bonds (distance) C4'-P energy: -9.168
bonds (distance) P-C4' energy: -11.547
flat angles C4'-P-C4' energy: -11.920
flat angles P-C4'-P energy: -7.974
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: 2
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -95.261592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.261592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.261592 (E_RNA)
where:
Base-Base interactions energy: -44.241
where: short stacking energy: -35.487
Base-Backbone interact. energy: 0.231
local terms energy: -51.251510
where:
bonds (distance) C4'-P energy: -13.458
bonds (distance) P-C4' energy: -10.870
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -4.035
tors. eta vs tors. theta energy: -10.739
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: 6
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -85.489885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.489885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.489885 (E_RNA)
where:
Base-Base interactions energy: -33.889
where: short stacking energy: -32.447
Base-Backbone interact. energy: -0.962
local terms energy: -50.638423
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -10.075
flat angles C4'-P-C4' energy: -8.704
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: -7.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -84.488323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.488323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.488323 (E_RNA)
where:
Base-Base interactions energy: -30.738
where: short stacking energy: -29.111
Base-Backbone interact. energy: -0.666
local terms energy: -53.083961
where:
bonds (distance) C4'-P energy: -7.822
bonds (distance) P-C4' energy: -17.243
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -7.274
tors. eta vs tors. theta energy: -5.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -84.915111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.915111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.915111 (E_RNA)
where:
Base-Base interactions energy: -33.112
where: short stacking energy: -32.497
Base-Backbone interact. energy: 0.621
local terms energy: -52.424015
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -11.870
flat angles C4'-P-C4' energy: -10.416
flat angles P-C4'-P energy: -8.627
tors. eta vs tors. theta energy: -6.767
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: 1, replica: 10
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -216.867131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.867131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.867131 (E_RNA)
where:
Base-Base interactions energy: -139.014
where: short stacking energy: -62.669
Base-Backbone interact. energy: -0.094
local terms energy: -77.760086
where:
bonds (distance) C4'-P energy: -14.633
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -15.698
flat angles P-C4'-P energy: -13.997
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: 2, replica: 1
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -169.498011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.498011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.498011 (E_RNA)
where:
Base-Base interactions energy: -96.962
where: short stacking energy: -54.726
Base-Backbone interact. energy: -0.089
local terms energy: -72.446133
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -15.625
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -17.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -164.208943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.208943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.208943 (E_RNA)
where:
Base-Base interactions energy: -99.023
where: short stacking energy: -56.839
Base-Backbone interact. energy: -0.030
local terms energy: -65.156340
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -13.903
flat angles C4'-P-C4' energy: -11.473
flat angles P-C4'-P energy: -11.144
tors. eta vs tors. theta energy: -16.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -159.334807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.334807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.334807 (E_RNA)
where:
Base-Base interactions energy: -98.315
where: short stacking energy: -68.126
Base-Backbone interact. energy: -0.006
local terms energy: -61.014751
where:
bonds (distance) C4'-P energy: -10.995
bonds (distance) P-C4' energy: -11.552
flat angles C4'-P-C4' energy: -9.353
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -18.794
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: 30
Temperature: 1.100000
Total energy: -161.297241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.297241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.297241 (E_RNA)
where:
Base-Base interactions energy: -102.048
where: short stacking energy: -48.318
Base-Backbone interact. energy: -0.058
local terms energy: -59.191594
where:
bonds (distance) C4'-P energy: -10.162
bonds (distance) P-C4' energy: -12.450
flat angles C4'-P-C4' energy: -13.756
flat angles P-C4'-P energy: -10.105
tors. eta vs tors. theta energy: -12.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -109.599929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.599929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.599929 (E_RNA)
where:
Base-Base interactions energy: -48.960
where: short stacking energy: -42.396
Base-Backbone interact. energy: -0.097
local terms energy: -60.542872
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -15.303
flat angles C4'-P-C4' energy: -11.839
flat angles P-C4'-P energy: -10.032
tors. eta vs tors. theta energy: -10.597
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: 2
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -87.008339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.008339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.008339 (E_RNA)
where:
Base-Base interactions energy: -22.636
where: short stacking energy: -22.636
Base-Backbone interact. energy: -0.147
local terms energy: -64.225555
where:
bonds (distance) C4'-P energy: -10.401
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -17.415
flat angles P-C4'-P energy: -12.922
tors. eta vs tors. theta energy: -7.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -80.453385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.453385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.453385 (E_RNA)
where:
Base-Base interactions energy: -20.194
where: short stacking energy: -20.194
Base-Backbone interact. energy: 0.071
local terms energy: -60.330343
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -12.682
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: -6.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -87.867604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.867604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.867604 (E_RNA)
where:
Base-Base interactions energy: -45.389
where: short stacking energy: -36.181
Base-Backbone interact. energy: 0.398
local terms energy: -42.877168
where:
bonds (distance) C4'-P energy: -11.709
bonds (distance) P-C4' energy: -11.282
flat angles C4'-P-C4' energy: -13.015
flat angles P-C4'-P energy: -1.766
tors. eta vs tors. theta energy: -5.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -75.355259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.355259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.355259 (E_RNA)
where:
Base-Base interactions energy: -35.558
where: short stacking energy: -25.985
Base-Backbone interact. energy: -0.145
local terms energy: -39.652307
where:
bonds (distance) C4'-P energy: -9.519
bonds (distance) P-C4' energy: -10.178
flat angles C4'-P-C4' energy: -13.744
flat angles P-C4'-P energy: -8.084
tors. eta vs tors. theta energy: 1.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -214.960546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.960546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.960546 (E_RNA)
where:
Base-Base interactions energy: -138.460
where: short stacking energy: -67.675
Base-Backbone interact. energy: -0.140
local terms energy: -76.360477
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -14.463
flat angles P-C4'-P energy: -12.579
tors. eta vs tors. theta energy: -18.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -173.135205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.135205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.135205 (E_RNA)
where:
Base-Base interactions energy: -97.937
where: short stacking energy: -64.346
Base-Backbone interact. energy: 0.142
local terms energy: -75.339938
where:
bonds (distance) C4'-P energy: -17.083
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -17.806
flat angles P-C4'-P energy: -8.731
tors. eta vs tors. theta energy: -17.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -170.226417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.226417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.226417 (E_RNA)
where:
Base-Base interactions energy: -102.392
where: short stacking energy: -58.947
Base-Backbone interact. energy: -0.043
local terms energy: -67.790516
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -13.860
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -13.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -167.282188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.282188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.282188 (E_RNA)
where:
Base-Base interactions energy: -94.703
where: short stacking energy: -59.003
Base-Backbone interact. energy: -0.159
local terms energy: -72.420043
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -17.816
flat angles P-C4'-P energy: -9.046
tors. eta vs tors. theta energy: -15.105
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: 5, replica: 4
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -165.611772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.611772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.611772 (E_RNA)
where:
Base-Base interactions energy: -107.812
where: short stacking energy: -59.671
Base-Backbone interact. energy: -0.079
local terms energy: -57.721144
where:
bonds (distance) C4'-P energy: -8.725
bonds (distance) P-C4' energy: -10.504
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -14.676
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: 2
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -110.902972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.902972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.902972 (E_RNA)
where:
Base-Base interactions energy: -60.387
where: short stacking energy: -40.024
Base-Backbone interact. energy: -0.208
local terms energy: -50.307615
where:
bonds (distance) C4'-P energy: -8.049
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -11.860
flat angles P-C4'-P energy: -7.014
tors. eta vs tors. theta energy: -8.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -107.249295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.249295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.249295 (E_RNA)
where:
Base-Base interactions energy: -44.527
where: short stacking energy: -43.984
Base-Backbone interact. energy: -0.167
local terms energy: -62.555158
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -16.446
flat angles P-C4'-P energy: -8.220
tors. eta vs tors. theta energy: -12.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -101.089004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.089004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.089004 (E_RNA)
where:
Base-Base interactions energy: -42.865
where: short stacking energy: -42.865
Base-Backbone interact. energy: 0.537
local terms energy: -58.761135
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -12.224
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -8.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -75.037654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.037654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.037654 (E_RNA)
where:
Base-Base interactions energy: -33.784
where: short stacking energy: -31.533
Base-Backbone interact. energy: -0.240
local terms energy: -41.013116
where:
bonds (distance) C4'-P energy: -9.743
bonds (distance) P-C4' energy: -14.759
flat angles C4'-P-C4' energy: -10.349
flat angles P-C4'-P energy: -3.787
tors. eta vs tors. theta energy: -2.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -89.955000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.955000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.955000 (E_RNA)
where:
Base-Base interactions energy: -49.697
where: short stacking energy: -27.422
Base-Backbone interact. energy: -1.080
local terms energy: -39.177481
where:
bonds (distance) C4'-P energy: -12.437
bonds (distance) P-C4' energy: -9.140
flat angles C4'-P-C4' energy: -6.736
flat angles P-C4'-P energy: -4.565
tors. eta vs tors. theta energy: -6.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -220.243216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.243216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.243216 (E_RNA)
where:
Base-Base interactions energy: -144.614
where: short stacking energy: -67.189
Base-Backbone interact. energy: -0.145
local terms energy: -75.483738
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -15.615
flat angles P-C4'-P energy: -12.208
tors. eta vs tors. theta energy: -16.060
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: 3
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -188.357882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.357882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.357882 (E_RNA)
where:
Base-Base interactions energy: -111.847
where: short stacking energy: -59.333
Base-Backbone interact. energy: -0.051
local terms energy: -76.460742
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -15.507
flat angles C4'-P-C4' energy: -17.043
flat angles P-C4'-P energy: -10.533
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: 3, replica: 5
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -184.810688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.810688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.810688 (E_RNA)
where:
Base-Base interactions energy: -107.532
where: short stacking energy: -65.967
Base-Backbone interact. energy: -0.014
local terms energy: -77.265014
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -17.542
flat angles P-C4'-P energy: -9.427
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: 4, replica: 1
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -167.715104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.715104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.715104 (E_RNA)
where:
Base-Base interactions energy: -98.749
where: short stacking energy: -54.578
Base-Backbone interact. energy: 0.895
local terms energy: -69.861302
where:
bonds (distance) C4'-P energy: -12.692
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -16.699
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -14.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -141.099444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.099444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.099444 (E_RNA)
where:
Base-Base interactions energy: -80.892
where: short stacking energy: -45.659
Base-Backbone interact. energy: -0.134
local terms energy: -60.073886
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -12.861
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -7.469
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: 6, replica: 2
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -97.450652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.450652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.450652 (E_RNA)
where:
Base-Base interactions energy: -42.836
where: short stacking energy: -34.698
Base-Backbone interact. energy: 0.110
local terms energy: -54.724752
where:
bonds (distance) C4'-P energy: -9.495
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -14.528
flat angles P-C4'-P energy: -9.475
tors. eta vs tors. theta energy: -6.843
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: 8
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -108.126517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.126517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.126517 (E_RNA)
where:
Base-Base interactions energy: -56.282
where: short stacking energy: -36.030
Base-Backbone interact. energy: -0.193
local terms energy: -51.650639
where:
bonds (distance) C4'-P energy: -16.091
bonds (distance) P-C4' energy: -11.359
flat angles C4'-P-C4' energy: -12.362
flat angles P-C4'-P energy: -6.477
tors. eta vs tors. theta energy: -5.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -81.828584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.828584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.828584 (E_RNA)
where:
Base-Base interactions energy: -28.586
where: short stacking energy: -28.586
Base-Backbone interact. energy: 0.074
local terms energy: -53.316666
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -12.548
flat angles C4'-P-C4' energy: -10.577
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: -9.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -77.657754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.657754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.657754 (E_RNA)
where:
Base-Base interactions energy: -26.662
where: short stacking energy: -25.189
Base-Backbone interact. energy: -0.088
local terms energy: -50.907561
where:
bonds (distance) C4'-P energy: -10.860
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -17.972
flat angles P-C4'-P energy: -7.937
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: 10, replica: 6
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -95.384263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.384263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.384263 (E_RNA)
where:
Base-Base interactions energy: -39.518
where: short stacking energy: -39.518
Base-Backbone interact. energy: -0.170
local terms energy: -55.696474
where:
bonds (distance) C4'-P energy: -12.989
bonds (distance) P-C4' energy: -10.299
flat angles C4'-P-C4' energy: -12.546
flat angles P-C4'-P energy: -11.577
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: 10
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -213.549348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.549348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.549348 (E_RNA)
where:
Base-Base interactions energy: -137.049
where: short stacking energy: -68.346
Base-Backbone interact. energy: -0.098
local terms energy: -76.402201
where:
bonds (distance) C4'-P energy: -10.990
bonds (distance) P-C4' energy: -18.160
flat angles C4'-P-C4' energy: -17.093
flat angles P-C4'-P energy: -10.617
tors. eta vs tors. theta energy: -19.541
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: 33
Temperature: 0.950000
Total energy: -173.710412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.710412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.710412 (E_RNA)
where:
Base-Base interactions energy: -97.081
where: short stacking energy: -59.533
Base-Backbone interact. energy: -0.078
local terms energy: -76.552169
where:
bonds (distance) C4'-P energy: -16.160
bonds (distance) P-C4' energy: -15.517
flat angles C4'-P-C4' energy: -16.555
flat angles P-C4'-P energy: -12.581
tors. eta vs tors. theta energy: -15.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -177.830653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.830653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.830653 (E_RNA)
where:
Base-Base interactions energy: -107.675
where: short stacking energy: -55.029
Base-Backbone interact. energy: -0.905
local terms energy: -69.250676
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -12.379
tors. eta vs tors. theta energy: -13.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -159.680222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.680222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.680222 (E_RNA)
where:
Base-Base interactions energy: -92.216
where: short stacking energy: -51.869
Base-Backbone interact. energy: -0.113
local terms energy: -67.350972
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -8.738
tors. eta vs tors. theta energy: -13.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -149.780904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.780904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.780904 (E_RNA)
where:
Base-Base interactions energy: -83.309
where: short stacking energy: -45.936
Base-Backbone interact. energy: -0.273
local terms energy: -66.199514
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -12.963
flat angles P-C4'-P energy: -11.600
tors. eta vs tors. theta energy: -11.948
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: 8
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -100.918849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.918849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.918849 (E_RNA)
where:
Base-Base interactions energy: -43.913
where: short stacking energy: -43.913
Base-Backbone interact. energy: -0.009
local terms energy: -56.997014
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -11.446
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -3.877
tors. eta vs tors. theta energy: -9.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -103.844860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.844860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.844860 (E_RNA)
where:
Base-Base interactions energy: -47.393
where: short stacking energy: -27.171
Base-Backbone interact. energy: -0.959
local terms energy: -55.493066
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -12.700
flat angles P-C4'-P energy: -10.133
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: 8, replica: 9
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -92.353057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.353057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.353057 (E_RNA)
where:
Base-Base interactions energy: -39.259
where: short stacking energy: -39.259
Base-Backbone interact. energy: -0.140
local terms energy: -52.954029
where:
bonds (distance) C4'-P energy: -7.115
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -14.046
flat angles P-C4'-P energy: -9.288
tors. eta vs tors. theta energy: -8.088
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: 7
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -84.838380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.838380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.838380 (E_RNA)
where:
Base-Base interactions energy: -35.606
where: short stacking energy: -35.706
Base-Backbone interact. energy: -0.001
local terms energy: -49.231146
where:
bonds (distance) C4'-P energy: -10.697
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -6.316
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -7.072
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: 6
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -90.662585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.662585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.662585 (E_RNA)
where:
Base-Base interactions energy: -30.771
where: short stacking energy: -30.771
Base-Backbone interact. energy: -0.043
local terms energy: -59.849081
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -14.496
flat angles P-C4'-P energy: -11.330
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: 10
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -210.008434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.008434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.008434 (E_RNA)
where:
Base-Base interactions energy: -140.542
where: short stacking energy: -64.906
Base-Backbone interact. energy: 0.516
local terms energy: -69.982789
where:
bonds (distance) C4'-P energy: -17.115
bonds (distance) P-C4' energy: -11.414
flat angles C4'-P-C4' energy: -13.040
flat angles P-C4'-P energy: -11.611
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: 2, replica: 5
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -174.002943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.002943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.002943 (E_RNA)
where:
Base-Base interactions energy: -102.103
where: short stacking energy: -51.653
Base-Backbone interact. energy: -0.109
local terms energy: -71.791119
where:
bonds (distance) C4'-P energy: -17.377
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -16.287
flat angles P-C4'-P energy: -9.557
tors. eta vs tors. theta energy: -10.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -187.103807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.103807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.103807 (E_RNA)
where:
Base-Base interactions energy: -114.436
where: short stacking energy: -65.596
Base-Backbone interact. energy: -0.001
local terms energy: -72.666257
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -17.244
flat angles C4'-P-C4' energy: -13.345
flat angles P-C4'-P energy: -7.816
tors. eta vs tors. theta energy: -18.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -159.858524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.858524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.858524 (E_RNA)
where:
Base-Base interactions energy: -98.114
where: short stacking energy: -46.606
Base-Backbone interact. energy: -0.032
local terms energy: -61.713038
where:
bonds (distance) C4'-P energy: -14.410
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -11.667
flat angles P-C4'-P energy: -8.243
tors. eta vs tors. theta energy: -11.476
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: 4
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -145.438965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.438965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.438965 (E_RNA)
where:
Base-Base interactions energy: -85.267
where: short stacking energy: -43.291
Base-Backbone interact. energy: -0.129
local terms energy: -60.043096
where:
bonds (distance) C4'-P energy: -11.527
bonds (distance) P-C4' energy: -16.683
flat angles C4'-P-C4' energy: -12.428
flat angles P-C4'-P energy: -10.618
tors. eta vs tors. theta energy: -8.787
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: 8
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -82.790218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.790218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.790218 (E_RNA)
where:
Base-Base interactions energy: -31.527
where: short stacking energy: -31.527
Base-Backbone interact. energy: -0.216
local terms energy: -51.046741
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -11.115
flat angles C4'-P-C4' energy: -13.417
flat angles P-C4'-P energy: -9.851
tors. eta vs tors. theta energy: -2.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -99.308231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.308231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.308231 (E_RNA)
where:
Base-Base interactions energy: -43.962
where: short stacking energy: -35.023
Base-Backbone interact. energy: -0.104
local terms energy: -55.242010
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -10.483
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -8.046
tors. eta vs tors. theta energy: -6.023
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: 2
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -84.071044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.071044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.071044 (E_RNA)
where:
Base-Base interactions energy: -36.219
where: short stacking energy: -19.798
Base-Backbone interact. energy: -0.369
local terms energy: -47.483290
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -12.946
flat angles P-C4'-P energy: -11.342
tors. eta vs tors. theta energy: 2.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -81.360935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.360935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.360935 (E_RNA)
where:
Base-Base interactions energy: -39.740
where: short stacking energy: -34.496
Base-Backbone interact. energy: -0.090
local terms energy: -41.531516
where:
bonds (distance) C4'-P energy: -8.548
bonds (distance) P-C4' energy: -10.668
flat angles C4'-P-C4' energy: -10.100
flat angles P-C4'-P energy: -4.435
tors. eta vs tors. theta energy: -7.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -81.368368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.368368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.368368 (E_RNA)
where:
Base-Base interactions energy: -39.818
where: short stacking energy: -27.886
Base-Backbone interact. energy: -0.100
local terms energy: -41.450609
where:
bonds (distance) C4'-P energy: -7.789
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -12.265
flat angles P-C4'-P energy: -0.971
tors. eta vs tors. theta energy: -6.641
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: 10
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -213.674596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.674596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.674596 (E_RNA)
where:
Base-Base interactions energy: -137.657
where: short stacking energy: -71.721
Base-Backbone interact. energy: -0.036
local terms energy: -75.981526
where:
bonds (distance) C4'-P energy: -17.258
bonds (distance) P-C4' energy: -16.978
flat angles C4'-P-C4' energy: -13.407
flat angles P-C4'-P energy: -11.042
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: 1
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -184.689227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.689227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.689227 (E_RNA)
where:
Base-Base interactions energy: -111.004
where: short stacking energy: -68.964
Base-Backbone interact. energy: -0.002
local terms energy: -73.683171
where:
bonds (distance) C4'-P energy: -11.595
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -13.518
flat angles P-C4'-P energy: -11.426
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: 3, replica: 5
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -182.647404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.647404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.647404 (E_RNA)
where:
Base-Base interactions energy: -113.958
where: short stacking energy: -66.840
Base-Backbone interact. energy: -0.073
local terms energy: -68.616174
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -12.758
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -6.974
tors. eta vs tors. theta energy: -16.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -164.933536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.933536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.933536 (E_RNA)
where:
Base-Base interactions energy: -94.094
where: short stacking energy: -56.198
Base-Backbone interact. energy: -0.162
local terms energy: -70.678070
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -12.114
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -15.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -156.593753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.593753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.593753 (E_RNA)
where:
Base-Base interactions energy: -88.662
where: short stacking energy: -47.459
Base-Backbone interact. energy: -0.001
local terms energy: -67.931616
where:
bonds (distance) C4'-P energy: -17.144
bonds (distance) P-C4' energy: -15.316
flat angles C4'-P-C4' energy: -13.321
flat angles P-C4'-P energy: -9.832
tors. eta vs tors. theta energy: -12.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -105.803241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.803241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.803241 (E_RNA)
where:
Base-Base interactions energy: -41.301
where: short stacking energy: -41.301
Base-Backbone interact. energy: -0.062
local terms energy: -64.440523
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -16.929
flat angles C4'-P-C4' energy: -12.737
flat angles P-C4'-P energy: -11.105
tors. eta vs tors. theta energy: -9.467
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: 7, replica: 8
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -87.964920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.964920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.964920 (E_RNA)
where:
Base-Base interactions energy: -33.162
where: short stacking energy: -25.329
Base-Backbone interact. energy: -0.562
local terms energy: -54.241217
where:
bonds (distance) C4'-P energy: -12.992
bonds (distance) P-C4' energy: -14.885
flat angles C4'-P-C4' energy: -11.751
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: -4.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -98.849993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.849993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.849993 (E_RNA)
where:
Base-Base interactions energy: -45.577
where: short stacking energy: -28.302
Base-Backbone interact. energy: 0.316
local terms energy: -53.588688
where:
bonds (distance) C4'-P energy: -8.074
bonds (distance) P-C4' energy: -17.288
flat angles C4'-P-C4' energy: -12.443
flat angles P-C4'-P energy: -12.297
tors. eta vs tors. theta energy: -3.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -90.195142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.195142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.195142 (E_RNA)
where:
Base-Base interactions energy: -33.546
where: short stacking energy: -26.904
Base-Backbone interact. energy: -0.045
local terms energy: -56.604091
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -13.015
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -0.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -105.453380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.453380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.453380 (E_RNA)
where:
Base-Base interactions energy: -50.726
where: short stacking energy: -48.255
Base-Backbone interact. energy: -0.001
local terms energy: -54.725946
where:
bonds (distance) C4'-P energy: -9.694
bonds (distance) P-C4' energy: -13.237
flat angles C4'-P-C4' energy: -11.953
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -7.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -221.206163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.206163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.206163 (E_RNA)
where:
Base-Base interactions energy: -138.246
where: short stacking energy: -74.357
Base-Backbone interact. energy: 0.005
local terms energy: -82.964643
where:
bonds (distance) C4'-P energy: -15.621
bonds (distance) P-C4' energy: -16.243
flat angles C4'-P-C4' energy: -17.793
flat angles P-C4'-P energy: -13.821
tors. eta vs tors. theta energy: -19.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -189.853550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.853550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.853550 (E_RNA)
where:
Base-Base interactions energy: -112.618
where: short stacking energy: -71.644
Base-Backbone interact. energy: -0.040
local terms energy: -77.195454
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -16.384
flat angles P-C4'-P energy: -10.758
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: 3, replica: 5
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -186.290943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.290943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.290943 (E_RNA)
where:
Base-Base interactions energy: -110.906
where: short stacking energy: -66.977
Base-Backbone interact. energy: -0.100
local terms energy: -75.284990
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -17.618
flat angles P-C4'-P energy: -7.499
tors. eta vs tors. theta energy: -21.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -163.396168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.396168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.396168 (E_RNA)
where:
Base-Base interactions energy: -94.184
where: short stacking energy: -62.550
Base-Backbone interact. energy: -0.113
local terms energy: -69.098659
where:
bonds (distance) C4'-P energy: -11.114
bonds (distance) P-C4' energy: -15.855
flat angles C4'-P-C4' energy: -17.130
flat angles P-C4'-P energy: -6.224
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: 3
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -157.143880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.143880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.143880 (E_RNA)
where:
Base-Base interactions energy: -92.592
where: short stacking energy: -52.464
Base-Backbone interact. energy: -0.020
local terms energy: -64.531692
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -14.461
flat angles C4'-P-C4' energy: -13.175
flat angles P-C4'-P energy: -11.495
tors. eta vs tors. theta energy: -12.098
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: 9
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -92.846194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.846194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.846194 (E_RNA)
where:
Base-Base interactions energy: -43.282
where: short stacking energy: -30.997
Base-Backbone interact. energy: -0.099
local terms energy: -49.464688
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -11.677
flat angles P-C4'-P energy: -6.923
tors. eta vs tors. theta energy: -3.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -81.300510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.300510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.300510 (E_RNA)
where:
Base-Base interactions energy: -30.511
where: short stacking energy: -21.386
Base-Backbone interact. energy: -0.531
local terms energy: -50.257817
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -12.406
flat angles P-C4'-P energy: -8.185
tors. eta vs tors. theta energy: 1.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -100.897695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.897695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.897695 (E_RNA)
where:
Base-Base interactions energy: -50.300
where: short stacking energy: -35.759
Base-Backbone interact. energy: -0.145
local terms energy: -50.452931
where:
bonds (distance) C4'-P energy: -17.132
bonds (distance) P-C4' energy: -11.708
flat angles C4'-P-C4' energy: -9.844
flat angles P-C4'-P energy: -5.637
tors. eta vs tors. theta energy: -6.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -89.371234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.371234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.371234 (E_RNA)
where:
Base-Base interactions energy: -40.073
where: short stacking energy: -37.565
Base-Backbone interact. energy: 0.179
local terms energy: -49.476724
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -14.135
flat angles C4'-P-C4' energy: -9.708
flat angles P-C4'-P energy: -6.949
tors. eta vs tors. theta energy: -3.062
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: 10, replica: 2
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -68.566369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.566369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.566369 (E_RNA)
where:
Base-Base interactions energy: -24.698
where: short stacking energy: -22.365
Base-Backbone interact. energy: -0.277
local terms energy: -43.591486
where:
bonds (distance) C4'-P energy: -9.681
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -8.183
flat angles P-C4'-P energy: -9.100
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: 10
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -221.296113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.296113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.296113 (E_RNA)
where:
Base-Base interactions energy: -143.437
where: short stacking energy: -73.705
Base-Backbone interact. energy: -0.001
local terms energy: -77.858502
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -17.174
flat angles C4'-P-C4' energy: -16.649
flat angles P-C4'-P energy: -11.767
tors. eta vs tors. theta energy: -17.499
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: 5
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -171.070879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.070879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.070879 (E_RNA)
where:
Base-Base interactions energy: -103.540
where: short stacking energy: -47.966
Base-Backbone interact. energy: -0.087
local terms energy: -67.443265
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -15.285
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -8.983
tors. eta vs tors. theta energy: -10.967
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: 1
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -177.605241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.605241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.605241 (E_RNA)
where:
Base-Base interactions energy: -114.857
where: short stacking energy: -73.303
Base-Backbone interact. energy: -0.501
local terms energy: -62.247845
where:
bonds (distance) C4'-P energy: -7.698
bonds (distance) P-C4' energy: -11.877
flat angles C4'-P-C4' energy: -11.821
flat angles P-C4'-P energy: -9.626
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: 4, replica: 3
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -166.128142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.128142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.128142 (E_RNA)
where:
Base-Base interactions energy: -98.690
where: short stacking energy: -51.990
Base-Backbone interact. energy: -0.150
local terms energy: -67.288414
where:
bonds (distance) C4'-P energy: -13.649
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -17.499
flat angles P-C4'-P energy: -6.301
tors. eta vs tors. theta energy: -14.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -160.018427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.018427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.018427 (E_RNA)
where:
Base-Base interactions energy: -94.766
where: short stacking energy: -50.539
Base-Backbone interact. energy: -0.190
local terms energy: -65.062376
where:
bonds (distance) C4'-P energy: -15.903
bonds (distance) P-C4' energy: -15.964
flat angles C4'-P-C4' energy: -13.481
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -10.966
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: 9
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -96.406580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.406580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.406580 (E_RNA)
where:
Base-Base interactions energy: -43.342
where: short stacking energy: -33.091
Base-Backbone interact. energy: -0.136
local terms energy: -52.928835
where:
bonds (distance) C4'-P energy: -10.481
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -6.537
flat angles P-C4'-P energy: -10.671
tors. eta vs tors. theta energy: -9.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -80.230447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.230447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.230447 (E_RNA)
where:
Base-Base interactions energy: -26.965
where: short stacking energy: -26.965
Base-Backbone interact. energy: -0.161
local terms energy: -53.104644
where:
bonds (distance) C4'-P energy: -7.854
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -11.242
flat angles P-C4'-P energy: -7.875
tors. eta vs tors. theta energy: -7.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -86.734770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.734770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.734770 (E_RNA)
where:
Base-Base interactions energy: -34.219
where: short stacking energy: -30.824
Base-Backbone interact. energy: -0.928
local terms energy: -51.586856
where:
bonds (distance) C4'-P energy: -11.408
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -14.396
flat angles P-C4'-P energy: -9.045
tors. eta vs tors. theta energy: -0.517
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: 6
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -93.859216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.859216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.859216 (E_RNA)
where:
Base-Base interactions energy: -34.476
where: short stacking energy: -34.476
Base-Backbone interact. energy: -0.159
local terms energy: -59.224494
where:
bonds (distance) C4'-P energy: -10.409
bonds (distance) P-C4' energy: -14.810
flat angles C4'-P-C4' energy: -13.046
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: -11.800
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: 10, replica: 2
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -83.571771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.571771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.571771 (E_RNA)
where:
Base-Base interactions energy: -30.442
where: short stacking energy: -29.948
Base-Backbone interact. energy: -0.034
local terms energy: -53.095749
where:
bonds (distance) C4'-P energy: -10.923
bonds (distance) P-C4' energy: -11.976
flat angles C4'-P-C4' energy: -10.836
flat angles P-C4'-P energy: -12.279
tors. eta vs tors. theta energy: -7.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -200.211910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.211910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.211910 (E_RNA)
where:
Base-Base interactions energy: -125.200
where: short stacking energy: -66.990
Base-Backbone interact. energy: -0.759
local terms energy: -74.253007
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -17.909
flat angles C4'-P-C4' energy: -16.581
flat angles P-C4'-P energy: -10.345
tors. eta vs tors. theta energy: -13.444
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: 5
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -176.582256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.582256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.582256 (E_RNA)
where:
Base-Base interactions energy: -105.821
where: short stacking energy: -54.587
Base-Backbone interact. energy: -0.648
local terms energy: -70.112914
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -10.670
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: 3
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -174.600201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.600201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.600201 (E_RNA)
where:
Base-Base interactions energy: -103.871
where: short stacking energy: -56.234
Base-Backbone interact. energy: -0.087
local terms energy: -70.642281
where:
bonds (distance) C4'-P energy: -10.154
bonds (distance) P-C4' energy: -18.183
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -8.486
tors. eta vs tors. theta energy: -19.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -144.137160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.137160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.137160 (E_RNA)
where:
Base-Base interactions energy: -83.823
where: short stacking energy: -53.431
Base-Backbone interact. energy: -0.098
local terms energy: -60.216392
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -5.559
tors. eta vs tors. theta energy: -9.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -144.980913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.980913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.980913 (E_RNA)
where:
Base-Base interactions energy: -91.318
where: short stacking energy: -35.577
Base-Backbone interact. energy: -0.261
local terms energy: -53.401656
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -15.074
flat angles C4'-P-C4' energy: -12.148
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: -2.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -98.092798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.092798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.092798 (E_RNA)
where:
Base-Base interactions energy: -42.124
where: short stacking energy: -30.675
Base-Backbone interact. energy: -0.068
local terms energy: -55.900749
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -13.415
flat angles P-C4'-P energy: -7.996
tors. eta vs tors. theta energy: -2.548
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: 38
Temperature: 1.200000
Total energy: -81.295362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.295362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.295362 (E_RNA)
where:
Base-Base interactions energy: -29.782
where: short stacking energy: -29.782
Base-Backbone interact. energy: -0.192
local terms energy: -51.321155
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -15.028
flat angles C4'-P-C4' energy: -13.163
flat angles P-C4'-P energy: -5.836
tors. eta vs tors. theta energy: -4.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -91.690199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.690199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.690199 (E_RNA)
where:
Base-Base interactions energy: -37.102
where: short stacking energy: -35.992
Base-Backbone interact. energy: -0.600
local terms energy: -53.988161
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -10.475
flat angles C4'-P-C4' energy: -12.946
flat angles P-C4'-P energy: -9.087
tors. eta vs tors. theta energy: -4.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -76.543379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.543379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.543379 (E_RNA)
where:
Base-Base interactions energy: -26.029
where: short stacking energy: -25.388
Base-Backbone interact. energy: -0.206
local terms energy: -50.307680
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -13.345
flat angles P-C4'-P energy: -4.251
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: 38
Temperature: 1.350000
Total energy: -77.622816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.622816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.622816 (E_RNA)
where:
Base-Base interactions energy: -36.020
where: short stacking energy: -28.655
Base-Backbone interact. energy: -0.982
local terms energy: -40.621384
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -4.805
flat angles P-C4'-P energy: -7.345
tors. eta vs tors. theta energy: -1.803
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: 1, replica: 10
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -208.928939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.928939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.928939 (E_RNA)
where:
Base-Base interactions energy: -135.628
where: short stacking energy: -71.256
Base-Backbone interact. energy: -0.006
local terms energy: -73.295008
where:
bonds (distance) C4'-P energy: -15.832
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -9.602
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: 2, replica: 3
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -179.099700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.099700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.099700 (E_RNA)
where:
Base-Base interactions energy: -110.474
where: short stacking energy: -63.817
Base-Backbone interact. energy: -0.002
local terms energy: -68.623067
where:
bonds (distance) C4'-P energy: -10.890
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -11.745
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: 5
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -186.066494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.066494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.066494 (E_RNA)
where:
Base-Base interactions energy: -117.391
where: short stacking energy: -63.221
Base-Backbone interact. energy: -0.024
local terms energy: -68.650995
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -15.357
flat angles C4'-P-C4' energy: -12.301
flat angles P-C4'-P energy: -8.413
tors. eta vs tors. theta energy: -19.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -151.891033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.891033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.891033 (E_RNA)
where:
Base-Base interactions energy: -85.909
where: short stacking energy: -47.968
Base-Backbone interact. energy: -0.001
local terms energy: -65.980431
where:
bonds (distance) C4'-P energy: -16.157
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -15.000
flat angles P-C4'-P energy: -8.693
tors. eta vs tors. theta energy: -11.964
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: 5, replica: 1
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -160.734470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.734470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.734470 (E_RNA)
where:
Base-Base interactions energy: -94.910
where: short stacking energy: -53.184
Base-Backbone interact. energy: -0.006
local terms energy: -65.818973
where:
bonds (distance) C4'-P energy: -11.429
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -8.666
tors. eta vs tors. theta energy: -11.842
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: 8
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -99.962338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.962338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.962338 (E_RNA)
where:
Base-Base interactions energy: -40.244
where: short stacking energy: -32.903
Base-Backbone interact. energy: -0.635
local terms energy: -59.083339
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -10.845
flat angles P-C4'-P energy: -12.755
tors. eta vs tors. theta energy: -5.806
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: 9
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -100.383925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.383925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.383925 (E_RNA)
where:
Base-Base interactions energy: -35.966
where: short stacking energy: -35.966
Base-Backbone interact. energy: -0.005
local terms energy: -64.413183
where:
bonds (distance) C4'-P energy: -15.742
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -9.450
tors. eta vs tors. theta energy: -8.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -98.024358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.024358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.024358 (E_RNA)
where:
Base-Base interactions energy: -36.614
where: short stacking energy: -29.918
Base-Backbone interact. energy: 0.315
local terms energy: -61.725376
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -12.187
flat angles P-C4'-P energy: -13.000
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: 9, replica: 6
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -82.895161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.895161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.895161 (E_RNA)
where:
Base-Base interactions energy: -25.360
where: short stacking energy: -25.360
Base-Backbone interact. energy: -0.001
local terms energy: -57.533925
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -8.452
flat angles P-C4'-P energy: -12.362
tors. eta vs tors. theta energy: -6.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -82.482702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.482702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.482702 (E_RNA)
where:
Base-Base interactions energy: -29.848
where: short stacking energy: -9.887
Base-Backbone interact. energy: 0.230
local terms energy: -52.864021
where:
bonds (distance) C4'-P energy: -16.860
bonds (distance) P-C4' energy: -12.539
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -11.556
tors. eta vs tors. theta energy: 3.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -215.186511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.186511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.186511 (E_RNA)
where:
Base-Base interactions energy: -138.974
where: short stacking energy: -66.536
Base-Backbone interact. energy: -0.267
local terms energy: -75.945448
where:
bonds (distance) C4'-P energy: -15.550
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -15.449
flat angles P-C4'-P energy: -12.425
tors. eta vs tors. theta energy: -17.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -178.905156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.905156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.905156 (E_RNA)
where:
Base-Base interactions energy: -114.178
where: short stacking energy: -60.168
Base-Backbone interact. energy: -0.021
local terms energy: -64.706588
where:
bonds (distance) C4'-P energy: -11.103
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -13.422
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: -12.941
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: 4
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -158.726230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.726230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.726230 (E_RNA)
where:
Base-Base interactions energy: -92.356
where: short stacking energy: -55.448
Base-Backbone interact. energy: -0.100
local terms energy: -66.270145
where:
bonds (distance) C4'-P energy: -12.842
bonds (distance) P-C4' energy: -11.260
flat angles C4'-P-C4' energy: -16.838
flat angles P-C4'-P energy: -10.977
tors. eta vs tors. theta energy: -14.353
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: 5
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -173.265004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.265004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.265004 (E_RNA)
where:
Base-Base interactions energy: -97.470
where: short stacking energy: -58.728
Base-Backbone interact. energy: -0.021
local terms energy: -75.774326
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -16.898
flat angles P-C4'-P energy: -12.854
tors. eta vs tors. theta energy: -16.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -168.638818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.638818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.638818 (E_RNA)
where:
Base-Base interactions energy: -96.563
where: short stacking energy: -49.518
Base-Backbone interact. energy: -0.111
local terms energy: -71.964379
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -14.295
flat angles P-C4'-P energy: -12.020
tors. eta vs tors. theta energy: -14.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -95.552947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.552947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.552947 (E_RNA)
where:
Base-Base interactions energy: -41.257
where: short stacking energy: -38.996
Base-Backbone interact. energy: -0.160
local terms energy: -54.135567
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -12.507
flat angles C4'-P-C4' energy: -16.293
flat angles P-C4'-P energy: -10.456
tors. eta vs tors. theta energy: -2.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -89.917998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.917998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.917998 (E_RNA)
where:
Base-Base interactions energy: -42.063
where: short stacking energy: -24.361
Base-Backbone interact. energy: -0.342
local terms energy: -47.512603
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -14.315
flat angles C4'-P-C4' energy: -15.188
flat angles P-C4'-P energy: -2.664
tors. eta vs tors. theta energy: -1.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -83.848439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.848439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.848439 (E_RNA)
where:
Base-Base interactions energy: -34.535
where: short stacking energy: -33.971
Base-Backbone interact. energy: -0.142
local terms energy: -49.171895
where:
bonds (distance) C4'-P energy: -10.276
bonds (distance) P-C4' energy: -11.013
flat angles C4'-P-C4' energy: -10.850
flat angles P-C4'-P energy: -7.458
tors. eta vs tors. theta energy: -9.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -81.980824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.980824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.980824 (E_RNA)
where:
Base-Base interactions energy: -37.963
where: short stacking energy: -23.314
Base-Backbone interact. energy: -0.306
local terms energy: -43.710928
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -11.195
flat angles P-C4'-P energy: -4.024
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: 10, replica: 6
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -79.933366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.933366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.933366 (E_RNA)
where:
Base-Base interactions energy: -33.099
where: short stacking energy: -30.828
Base-Backbone interact. energy: -0.337
local terms energy: -46.497802
where:
bonds (distance) C4'-P energy: -11.634
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -7.111
flat angles P-C4'-P energy: -6.305
tors. eta vs tors. theta energy: -6.888
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: 10
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -208.055246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.055246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.055246 (E_RNA)
where:
Base-Base interactions energy: -132.359
where: short stacking energy: -68.603
Base-Backbone interact. energy: -0.008
local terms energy: -75.688475
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -10.190
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: 2, replica: 4
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -160.655730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.655730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.655730 (E_RNA)
where:
Base-Base interactions energy: -92.645
where: short stacking energy: -54.799
Base-Backbone interact. energy: -0.026
local terms energy: -67.984509
where:
bonds (distance) C4'-P energy: -15.476
bonds (distance) P-C4' energy: -14.608
flat angles C4'-P-C4' energy: -13.759
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -13.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -174.819019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.819019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.819019 (E_RNA)
where:
Base-Base interactions energy: -106.174
where: short stacking energy: -70.799
Base-Backbone interact. energy: -0.567
local terms energy: -68.077599
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -15.290
flat angles P-C4'-P energy: -8.376
tors. eta vs tors. theta energy: -16.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -175.059047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.059047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.059047 (E_RNA)
where:
Base-Base interactions energy: -106.338
where: short stacking energy: -51.648
Base-Backbone interact. energy: -0.496
local terms energy: -68.225485
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -13.554
flat angles P-C4'-P energy: -13.313
tors. eta vs tors. theta energy: -10.702
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: 5
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -169.126205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.126205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.126205 (E_RNA)
where:
Base-Base interactions energy: -98.569
where: short stacking energy: -55.370
Base-Backbone interact. energy: -0.098
local terms energy: -70.459472
where:
bonds (distance) C4'-P energy: -13.280
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: -14.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -92.386840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.386840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.386840 (E_RNA)
where:
Base-Base interactions energy: -35.395
where: short stacking energy: -35.395
Base-Backbone interact. energy: -0.045
local terms energy: -56.945933
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -7.890
flat angles P-C4'-P energy: -9.465
tors. eta vs tors. theta energy: -10.729
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: 7
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -91.865135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.865135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.865135 (E_RNA)
where:
Base-Base interactions energy: -39.565
where: short stacking energy: -27.913
Base-Backbone interact. energy: -0.076
local terms energy: -52.224313
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -13.528
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: -0.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -86.804032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.804032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.804032 (E_RNA)
where:
Base-Base interactions energy: -35.973
where: short stacking energy: -30.664
Base-Backbone interact. energy: -0.082
local terms energy: -50.748926
where:
bonds (distance) C4'-P energy: -11.214
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -10.668
flat angles P-C4'-P energy: -5.644
tors. eta vs tors. theta energy: -7.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -99.375200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.375200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.375200 (E_RNA)
where:
Base-Base interactions energy: -36.927
where: short stacking energy: -24.637
Base-Backbone interact. energy: -0.101
local terms energy: -62.347671
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -12.685
flat angles P-C4'-P energy: -9.140
tors. eta vs tors. theta energy: -8.569
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: 10, replica: 6
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -85.591288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.591288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.591288 (E_RNA)
where:
Base-Base interactions energy: -36.031
where: short stacking energy: -35.809
Base-Backbone interact. energy: 0.416
local terms energy: -49.976204
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -15.580
flat angles C4'-P-C4' energy: -4.737
flat angles P-C4'-P energy: -8.616
tors. eta vs tors. theta energy: -7.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -221.825470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.825470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.825470 (E_RNA)
where:
Base-Base interactions energy: -138.288
where: short stacking energy: -73.953
Base-Backbone interact. energy: 1.161
local terms energy: -84.698288
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -17.629
flat angles P-C4'-P energy: -13.161
tors. eta vs tors. theta energy: -21.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -181.265810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.265810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.265810 (E_RNA)
where:
Base-Base interactions energy: -107.937
where: short stacking energy: -53.422
Base-Backbone interact. energy: -0.599
local terms energy: -72.729780
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -15.894
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -14.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -186.152558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.152558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.152558 (E_RNA)
where:
Base-Base interactions energy: -112.151
where: short stacking energy: -71.294
Base-Backbone interact. energy: -0.002
local terms energy: -73.999953
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -10.642
flat angles C4'-P-C4' energy: -14.861
flat angles P-C4'-P energy: -11.407
tors. eta vs tors. theta energy: -21.405
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: 3
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -161.568942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.568942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.568942 (E_RNA)
where:
Base-Base interactions energy: -96.904
where: short stacking energy: -55.812
Base-Backbone interact. energy: -0.234
local terms energy: -64.431049
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -11.691
flat angles C4'-P-C4' energy: -14.529
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -14.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -158.636123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.636123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.636123 (E_RNA)
where:
Base-Base interactions energy: -94.762
where: short stacking energy: -49.611
Base-Backbone interact. energy: -0.198
local terms energy: -63.676744
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -15.135
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: -12.392
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: 6, replica: 8
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -107.206793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.206793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.206793 (E_RNA)
where:
Base-Base interactions energy: -48.542
where: short stacking energy: -48.511
Base-Backbone interact. energy: -0.402
local terms energy: -58.263223
where:
bonds (distance) C4'-P energy: -10.787
bonds (distance) P-C4' energy: -13.013
flat angles C4'-P-C4' energy: -14.954
flat angles P-C4'-P energy: -12.514
tors. eta vs tors. theta energy: -6.995
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: 7
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -95.662869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.662869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.662869 (E_RNA)
where:
Base-Base interactions energy: -36.286
where: short stacking energy: -22.626
Base-Backbone interact. energy: -0.120
local terms energy: -59.256798
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -17.383
flat angles C4'-P-C4' energy: -14.927
flat angles P-C4'-P energy: -11.642
tors. eta vs tors. theta energy: -3.164
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: 8, replica: 9
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -80.981309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.981309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.981309 (E_RNA)
where:
Base-Base interactions energy: -31.344
where: short stacking energy: -20.839
Base-Backbone interact. energy: 1.519
local terms energy: -51.156297
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -7.696
flat angles P-C4'-P energy: -9.952
tors. eta vs tors. theta energy: -4.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -88.424730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.424730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.424730 (E_RNA)
where:
Base-Base interactions energy: -31.399
where: short stacking energy: -24.944
Base-Backbone interact. energy: -0.053
local terms energy: -56.972763
where:
bonds (distance) C4'-P energy: -13.974
bonds (distance) P-C4' energy: -11.038
flat angles C4'-P-C4' energy: -16.228
flat angles P-C4'-P energy: -8.630
tors. eta vs tors. theta energy: -7.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -77.901257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.901257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.901257 (E_RNA)
where:
Base-Base interactions energy: -26.720
where: short stacking energy: -25.248
Base-Backbone interact. energy: -0.480
local terms energy: -50.701249
where:
bonds (distance) C4'-P energy: -9.313
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -11.270
flat angles P-C4'-P energy: -6.915
tors. eta vs tors. theta energy: -6.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -222.205832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.205832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.205832 (E_RNA)
where:
Base-Base interactions energy: -141.289
where: short stacking energy: -71.573
Base-Backbone interact. energy: -0.342
local terms energy: -80.575036
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -16.927
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -8.895
tors. eta vs tors. theta energy: -21.972
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: 2, replica: 1
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -177.032860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.032860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.032860 (E_RNA)
where:
Base-Base interactions energy: -104.913
where: short stacking energy: -66.244
Base-Backbone interact. energy: -0.338
local terms energy: -71.782018
where:
bonds (distance) C4'-P energy: -11.606
bonds (distance) P-C4' energy: -15.515
flat angles C4'-P-C4' energy: -16.548
flat angles P-C4'-P energy: -10.493
tors. eta vs tors. theta energy: -17.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -172.469088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.469088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.469088 (E_RNA)
where:
Base-Base interactions energy: -103.814
where: short stacking energy: -46.376
Base-Backbone interact. energy: -0.201
local terms energy: -68.454376
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -10.910
flat angles P-C4'-P energy: -12.734
tors. eta vs tors. theta energy: -13.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -170.311506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.311506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.311506 (E_RNA)
where:
Base-Base interactions energy: -99.520
where: short stacking energy: -54.669
Base-Backbone interact. energy: -0.079
local terms energy: -70.711892
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -10.188
tors. eta vs tors. theta energy: -16.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -144.200522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.200522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.200522 (E_RNA)
where:
Base-Base interactions energy: -77.874
where: short stacking energy: -44.418
Base-Backbone interact. energy: -0.255
local terms energy: -66.071758
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -16.970
flat angles P-C4'-P energy: -8.896
tors. eta vs tors. theta energy: -8.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -95.340713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.340713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.340713 (E_RNA)
where:
Base-Base interactions energy: -39.046
where: short stacking energy: -33.762
Base-Backbone interact. energy: 0.438
local terms energy: -56.732748
where:
bonds (distance) C4'-P energy: -12.727
bonds (distance) P-C4' energy: -12.596
flat angles C4'-P-C4' energy: -15.053
flat angles P-C4'-P energy: -10.420
tors. eta vs tors. theta energy: -5.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -83.025278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.025278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.025278 (E_RNA)
where:
Base-Base interactions energy: -27.531
where: short stacking energy: -14.216
Base-Backbone interact. energy: -0.435
local terms energy: -55.059384
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -10.118
flat angles P-C4'-P energy: -13.488
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: 8, replica: 9
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -117.605686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.605686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.605686 (E_RNA)
where:
Base-Base interactions energy: -45.688
where: short stacking energy: -45.688
Base-Backbone interact. energy: -0.077
local terms energy: -71.841002
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -16.861
flat angles P-C4'-P energy: -8.317
tors. eta vs tors. theta energy: -14.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -83.237719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.237719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.237719 (E_RNA)
where:
Base-Base interactions energy: -33.705
where: short stacking energy: -33.705
Base-Backbone interact. energy: -0.391
local terms energy: -49.141387
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -13.058
flat angles C4'-P-C4' energy: -11.361
flat angles P-C4'-P energy: -8.736
tors. eta vs tors. theta energy: -1.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -85.112636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.112636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.112636 (E_RNA)
where:
Base-Base interactions energy: -32.589
where: short stacking energy: -16.197
Base-Backbone interact. energy: -0.309
local terms energy: -52.214352
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -11.909
flat angles C4'-P-C4' energy: -12.793
flat angles P-C4'-P energy: -9.226
tors. eta vs tors. theta energy: -2.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -223.036078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.036078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.036078 (E_RNA)
where:
Base-Base interactions energy: -137.760
where: short stacking energy: -68.424
Base-Backbone interact. energy: -0.025
local terms energy: -85.250543
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -17.670
flat angles C4'-P-C4' energy: -16.964
flat angles P-C4'-P energy: -10.761
tors. eta vs tors. theta energy: -23.748
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: 2, replica: 1
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -176.309103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.309103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.309103 (E_RNA)
where:
Base-Base interactions energy: -97.036
where: short stacking energy: -65.480
Base-Backbone interact. energy: -0.019
local terms energy: -79.253932
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -15.680
flat angles P-C4'-P energy: -14.097
tors. eta vs tors. theta energy: -17.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -173.437232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.437232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.437232 (E_RNA)
where:
Base-Base interactions energy: -105.259
where: short stacking energy: -60.609
Base-Backbone interact. energy: -0.001
local terms energy: -68.177480
where:
bonds (distance) C4'-P energy: -14.720
bonds (distance) P-C4' energy: -16.509
flat angles C4'-P-C4' energy: -15.406
flat angles P-C4'-P energy: -3.006
tors. eta vs tors. theta energy: -18.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -160.050585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.050585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.050585 (E_RNA)
where:
Base-Base interactions energy: -91.701
where: short stacking energy: -53.368
Base-Backbone interact. energy: -0.016
local terms energy: -68.334375
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -12.629
flat angles P-C4'-P energy: -11.084
tors. eta vs tors. theta energy: -16.545
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: 44
Temperature: 1.100000
Total energy: -104.774433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.774433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.774433 (E_RNA)
where:
Base-Base interactions energy: -45.568
where: short stacking energy: -43.178
Base-Backbone interact. energy: -0.025
local terms energy: -59.181856
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -9.776
flat angles P-C4'-P energy: -6.934
tors. eta vs tors. theta energy: -8.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -151.306897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.306897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.306897 (E_RNA)
where:
Base-Base interactions energy: -95.323
where: short stacking energy: -45.525
Base-Backbone interact. energy: 1.236
local terms energy: -57.219090
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -12.336
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -4.435
tors. eta vs tors. theta energy: -10.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -95.536463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.536463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.536463 (E_RNA)
where:
Base-Base interactions energy: -43.926
where: short stacking energy: -39.915
Base-Backbone interact. energy: -0.116
local terms energy: -51.494214
where:
bonds (distance) C4'-P energy: -11.878
bonds (distance) P-C4' energy: -13.660
flat angles C4'-P-C4' energy: -9.776
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: -6.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -80.218371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.218371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.218371 (E_RNA)
where:
Base-Base interactions energy: -28.651
where: short stacking energy: -28.651
Base-Backbone interact. energy: -0.203
local terms energy: -51.364320
where:
bonds (distance) C4'-P energy: -12.351
bonds (distance) P-C4' energy: -13.415
flat angles C4'-P-C4' energy: -11.229
flat angles P-C4'-P energy: -7.230
tors. eta vs tors. theta energy: -7.140
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: 6
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -80.603342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.603342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.603342 (E_RNA)
where:
Base-Base interactions energy: -29.476
where: short stacking energy: -30.976
Base-Backbone interact. energy: -0.559
local terms energy: -50.568688
where:
bonds (distance) C4'-P energy: -14.028
bonds (distance) P-C4' energy: -15.392
flat angles C4'-P-C4' energy: -7.290
flat angles P-C4'-P energy: -10.488
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: 10, replica: 2
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -78.191644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.191644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.191644 (E_RNA)
where:
Base-Base interactions energy: -29.116
where: short stacking energy: -29.116
Base-Backbone interact. energy: -0.086
local terms energy: -48.989053
where:
bonds (distance) C4'-P energy: -12.586
bonds (distance) P-C4' energy: -11.741
flat angles C4'-P-C4' energy: -11.320
flat angles P-C4'-P energy: -9.410
tors. eta vs tors. theta energy: -3.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -221.842082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.842082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.842082 (E_RNA)
where:
Base-Base interactions energy: -141.036
where: short stacking energy: -70.474
Base-Backbone interact. energy: -0.756
local terms energy: -80.049658
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -16.460
flat angles P-C4'-P energy: -12.188
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: 2, replica: 3
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -184.461592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.461592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.461592 (E_RNA)
where:
Base-Base interactions energy: -103.826
where: short stacking energy: -59.536
Base-Backbone interact. energy: -0.136
local terms energy: -80.499358
where:
bonds (distance) C4'-P energy: -16.615
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -15.638
flat angles P-C4'-P energy: -13.233
tors. eta vs tors. theta energy: -16.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -158.266326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.266326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.266326 (E_RNA)
where:
Base-Base interactions energy: -94.375
where: short stacking energy: -40.806
Base-Backbone interact. energy: -0.130
local terms energy: -63.761421
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -15.030
flat angles C4'-P-C4' energy: -14.414
flat angles P-C4'-P energy: -12.748
tors. eta vs tors. theta energy: -8.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -152.617536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.617536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.617536 (E_RNA)
where:
Base-Base interactions energy: -91.639
where: short stacking energy: -44.676
Base-Backbone interact. energy: 0.571
local terms energy: -61.549237
where:
bonds (distance) C4'-P energy: -14.038
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -17.098
flat angles P-C4'-P energy: -12.188
tors. eta vs tors. theta energy: -4.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -99.197296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.197296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.197296 (E_RNA)
where:
Base-Base interactions energy: -41.629
where: short stacking energy: -41.629
Base-Backbone interact. energy: -0.078
local terms energy: -57.490583
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -14.493
flat angles P-C4'-P energy: -7.598
tors. eta vs tors. theta energy: -10.268
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: 5
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -143.559648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.559648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.559648 (E_RNA)
where:
Base-Base interactions energy: -90.369
where: short stacking energy: -48.382
Base-Backbone interact. energy: -0.655
local terms energy: -52.535599
where:
bonds (distance) C4'-P energy: -13.136
bonds (distance) P-C4' energy: -9.925
flat angles C4'-P-C4' energy: -10.934
flat angles P-C4'-P energy: -5.853
tors. eta vs tors. theta energy: -12.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -82.573418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.573418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.573418 (E_RNA)
where:
Base-Base interactions energy: -33.418
where: short stacking energy: -31.253
Base-Backbone interact. energy: -0.083
local terms energy: -49.072380
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -10.643
flat angles P-C4'-P energy: -3.966
tors. eta vs tors. theta energy: -6.641
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: 6
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -82.672474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.672474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.672474 (E_RNA)
where:
Base-Base interactions energy: -35.378
where: short stacking energy: -35.378
Base-Backbone interact. energy: 0.681
local terms energy: -47.976107
where:
bonds (distance) C4'-P energy: -6.067
bonds (distance) P-C4' energy: -18.444
flat angles C4'-P-C4' energy: -7.628
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: -6.499
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: 7
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -90.372808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.372808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.372808 (E_RNA)
where:
Base-Base interactions energy: -31.208
where: short stacking energy: -29.106
Base-Backbone interact. energy: -0.175
local terms energy: -58.990261
where:
bonds (distance) C4'-P energy: -11.115
bonds (distance) P-C4' energy: -13.609
flat angles C4'-P-C4' energy: -16.053
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: -7.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -82.671346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.671346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.671346 (E_RNA)
where:
Base-Base interactions energy: -28.232
where: short stacking energy: -28.232
Base-Backbone interact. energy: 1.464
local terms energy: -55.902705
where:
bonds (distance) C4'-P energy: -11.851
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -14.579
flat angles P-C4'-P energy: -11.769
tors. eta vs tors. theta energy: -1.998
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: 1, replica: 10
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -228.215093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.215093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.215093 (E_RNA)
where:
Base-Base interactions energy: -150.171
where: short stacking energy: -75.522
Base-Backbone interact. energy: -1.027
local terms energy: -77.017230
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -14.358
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -11.663
tors. eta vs tors. theta energy: -21.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -183.570239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.570239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.570239 (E_RNA)
where:
Base-Base interactions energy: -113.251
where: short stacking energy: -60.188
Base-Backbone interact. energy: -0.023
local terms energy: -70.296577
where:
bonds (distance) C4'-P energy: -9.022
bonds (distance) P-C4' energy: -15.168
flat angles C4'-P-C4' energy: -16.723
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -18.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -171.141081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.141081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.141081 (E_RNA)
where:
Base-Base interactions energy: -101.139
where: short stacking energy: -57.258
Base-Backbone interact. energy: -0.105
local terms energy: -69.897084
where:
bonds (distance) C4'-P energy: -16.006
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -14.303
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: -13.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -165.852485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.852485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.852485 (E_RNA)
where:
Base-Base interactions energy: -100.228
where: short stacking energy: -58.644
Base-Backbone interact. energy: -0.406
local terms energy: -65.219108
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -13.275
flat angles C4'-P-C4' energy: -14.290
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: -12.997
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: 5
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -146.160225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.160225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.160225 (E_RNA)
where:
Base-Base interactions energy: -86.355
where: short stacking energy: -34.050
Base-Backbone interact. energy: 2.464
local terms energy: -62.269063
where:
bonds (distance) C4'-P energy: -17.675
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -13.644
flat angles P-C4'-P energy: -10.818
tors. eta vs tors. theta energy: -6.847
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: 8
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -104.710977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.710977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.710977 (E_RNA)
where:
Base-Base interactions energy: -39.926
where: short stacking energy: -39.926
Base-Backbone interact. energy: -0.161
local terms energy: -64.624006
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -16.693
flat angles C4'-P-C4' energy: -14.432
flat angles P-C4'-P energy: -11.174
tors. eta vs tors. theta energy: -10.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -82.894169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.894169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.894169 (E_RNA)
where:
Base-Base interactions energy: -32.562
where: short stacking energy: -23.020
Base-Backbone interact. energy: -0.086
local terms energy: -50.246165
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -17.372
flat angles C4'-P-C4' energy: -11.063
flat angles P-C4'-P energy: -5.248
tors. eta vs tors. theta energy: -1.307
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: 9
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -86.932093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.932093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.932093 (E_RNA)
where:
Base-Base interactions energy: -37.875
where: short stacking energy: -37.875
Base-Backbone interact. energy: -0.096
local terms energy: -48.960989
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -11.616
flat angles C4'-P-C4' energy: -5.040
flat angles P-C4'-P energy: -9.116
tors. eta vs tors. theta energy: -7.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -91.479317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.479317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.479317 (E_RNA)
where:
Base-Base interactions energy: -42.837
where: short stacking energy: -33.956
Base-Backbone interact. energy: -0.004
local terms energy: -48.638354
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -12.607
flat angles C4'-P-C4' energy: -12.496
flat angles P-C4'-P energy: -3.455
tors. eta vs tors. theta energy: -4.892
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: 7
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -83.165629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.165629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.165629 (E_RNA)
where:
Base-Base interactions energy: -28.746
where: short stacking energy: -28.479
Base-Backbone interact. energy: -0.180
local terms energy: -54.239756
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -11.867
flat angles P-C4'-P energy: -7.779
tors. eta vs tors. theta energy: -5.117
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: 10
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -222.586037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.586037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.586037 (E_RNA)
where:
Base-Base interactions energy: -145.945
where: short stacking energy: -75.374
Base-Backbone interact. energy: 0.041
local terms energy: -76.682296
where:
bonds (distance) C4'-P energy: -15.131
bonds (distance) P-C4' energy: -13.142
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -12.072
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: 2, replica: 3
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -193.371079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.371079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.371079 (E_RNA)
where:
Base-Base interactions energy: -116.864
where: short stacking energy: -70.143
Base-Backbone interact. energy: -0.014
local terms energy: -76.493086
where:
bonds (distance) C4'-P energy: -16.059
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -10.824
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: 4
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -170.746704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.746704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.746704 (E_RNA)
where:
Base-Base interactions energy: -111.546
where: short stacking energy: -52.800
Base-Backbone interact. energy: -0.096
local terms energy: -59.104921
where:
bonds (distance) C4'-P energy: -14.307
bonds (distance) P-C4' energy: -12.588
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -6.413
tors. eta vs tors. theta energy: -12.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -160.730499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.730499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.730499 (E_RNA)
where:
Base-Base interactions energy: -97.705
where: short stacking energy: -53.766
Base-Backbone interact. energy: -0.208
local terms energy: -62.817202
where:
bonds (distance) C4'-P energy: -9.123
bonds (distance) P-C4' energy: -15.246
flat angles C4'-P-C4' energy: -15.468
flat angles P-C4'-P energy: -9.893
tors. eta vs tors. theta energy: -13.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -146.533448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.533448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.533448 (E_RNA)
where:
Base-Base interactions energy: -92.584
where: short stacking energy: -44.813
Base-Backbone interact. energy: -0.206
local terms energy: -53.743384
where:
bonds (distance) C4'-P energy: -11.159
bonds (distance) P-C4' energy: -8.544
flat angles C4'-P-C4' energy: -14.232
flat angles P-C4'-P energy: -11.109
tors. eta vs tors. theta energy: -8.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -94.786707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.786707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.786707 (E_RNA)
where:
Base-Base interactions energy: -44.730
where: short stacking energy: -31.400
Base-Backbone interact. energy: -0.127
local terms energy: -49.929420
where:
bonds (distance) C4'-P energy: -11.068
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -12.259
flat angles P-C4'-P energy: -7.731
tors. eta vs tors. theta energy: -1.436
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: 8
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -93.611952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.611952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.611952 (E_RNA)
where:
Base-Base interactions energy: -40.545
where: short stacking energy: -40.038
Base-Backbone interact. energy: -0.915
local terms energy: -52.151896
where:
bonds (distance) C4'-P energy: -13.435
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -12.700
flat angles P-C4'-P energy: -5.761
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: 8, replica: 2
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -93.662319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.662319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.662319 (E_RNA)
where:
Base-Base interactions energy: -40.331
where: short stacking energy: -36.649
Base-Backbone interact. energy: -0.090
local terms energy: -53.241471
where:
bonds (distance) C4'-P energy: -12.599
bonds (distance) P-C4' energy: -11.773
flat angles C4'-P-C4' energy: -12.286
flat angles P-C4'-P energy: -5.608
tors. eta vs tors. theta energy: -10.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -87.345058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.345058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.345058 (E_RNA)
where:
Base-Base interactions energy: -41.299
where: short stacking energy: -27.735
Base-Backbone interact. energy: 2.326
local terms energy: -48.371519
where:
bonds (distance) C4'-P energy: -9.117
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -10.089
flat angles P-C4'-P energy: -10.216
tors. eta vs tors. theta energy: -4.936
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: 10, replica: 7
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -84.374369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.374369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.374369 (E_RNA)
where:
Base-Base interactions energy: -31.251
where: short stacking energy: -26.944
Base-Backbone interact. energy: -0.202
local terms energy: -52.921274
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -11.138
flat angles P-C4'-P energy: -8.032
tors. eta vs tors. theta energy: -4.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -182.572598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.572598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.572598 (E_RNA)
where:
Base-Base interactions energy: -114.228
where: short stacking energy: -57.843
Base-Backbone interact. energy: -0.005
local terms energy: -68.340111
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -14.426
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: 10
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -226.104339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.104339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.104339 (E_RNA)
where:
Base-Base interactions energy: -147.850
where: short stacking energy: -76.453
Base-Backbone interact. energy: -0.093
local terms energy: -78.160794
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -15.397
flat angles C4'-P-C4' energy: -15.799
flat angles P-C4'-P energy: -11.126
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: 4
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -171.976770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.976770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.976770 (E_RNA)
where:
Base-Base interactions energy: -101.062
where: short stacking energy: -59.144
Base-Backbone interact. energy: -0.094
local terms energy: -70.821178
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -15.495
flat angles C4'-P-C4' energy: -13.754
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: -15.646
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: 1
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -173.620012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.620012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.620012 (E_RNA)
where:
Base-Base interactions energy: -105.657
where: short stacking energy: -57.854
Base-Backbone interact. energy: -0.611
local terms energy: -67.352230
where:
bonds (distance) C4'-P energy: -16.433
bonds (distance) P-C4' energy: -10.363
flat angles C4'-P-C4' energy: -12.312
flat angles P-C4'-P energy: -10.815
tors. eta vs tors. theta energy: -17.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -106.654677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.654677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.654677 (E_RNA)
where:
Base-Base interactions energy: -52.793
where: short stacking energy: -49.357
Base-Backbone interact. energy: -0.184
local terms energy: -53.677822
where:
bonds (distance) C4'-P energy: -8.117
bonds (distance) P-C4' energy: -12.513
flat angles C4'-P-C4' energy: -16.774
flat angles P-C4'-P energy: -3.979
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: 6, replica: 5
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -104.550963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.550963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.550963 (E_RNA)
where:
Base-Base interactions energy: -42.778
where: short stacking energy: -40.159
Base-Backbone interact. energy: -0.044
local terms energy: -61.729231
where:
bonds (distance) C4'-P energy: -12.150
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -8.902
tors. eta vs tors. theta energy: -12.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -84.468254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.468254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.468254 (E_RNA)
where:
Base-Base interactions energy: -32.366
where: short stacking energy: -28.580
Base-Backbone interact. energy: -0.062
local terms energy: -52.040136
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -16.455
flat angles C4'-P-C4' energy: -10.449
flat angles P-C4'-P energy: -11.688
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: 8, replica: 8
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -86.517967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.517967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.517967 (E_RNA)
where:
Base-Base interactions energy: -43.468
where: short stacking energy: -43.468
Base-Backbone interact. energy: -0.137
local terms energy: -42.913026
where:
bonds (distance) C4'-P energy: -0.925
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -14.785
flat angles P-C4'-P energy: -6.378
tors. eta vs tors. theta energy: -5.453
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: 7
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -82.824391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.824391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.824391 (E_RNA)
where:
Base-Base interactions energy: -33.475
where: short stacking energy: -21.667
Base-Backbone interact. energy: -0.121
local terms energy: -49.228685
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -12.859
flat angles C4'-P-C4' energy: -14.734
flat angles P-C4'-P energy: -7.036
tors. eta vs tors. theta energy: -0.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -85.835884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.835884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.835884 (E_RNA)
where:
Base-Base interactions energy: -38.267
where: short stacking energy: -26.566
Base-Backbone interact. energy: -0.853
local terms energy: -46.716143
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -11.438
flat angles C4'-P-C4' energy: -8.917
flat angles P-C4'-P energy: -8.955
tors. eta vs tors. theta energy: -2.228
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: 3
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -183.414984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.414984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.414984 (E_RNA)
where:
Base-Base interactions energy: -112.931
where: short stacking energy: -63.738
Base-Backbone interact. energy: -0.030
local terms energy: -70.454450
where:
bonds (distance) C4'-P energy: -12.156
bonds (distance) P-C4' energy: -16.302
flat angles C4'-P-C4' energy: -17.005
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: -16.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -218.366514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.366514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.366514 (E_RNA)
where:
Base-Base interactions energy: -140.100
where: short stacking energy: -73.290
Base-Backbone interact. energy: -0.050
local terms energy: -78.217331
where:
bonds (distance) C4'-P energy: -11.189
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -18.186
flat angles P-C4'-P energy: -11.848
tors. eta vs tors. theta energy: -21.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -170.709026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.709026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.709026 (E_RNA)
where:
Base-Base interactions energy: -106.730
where: short stacking energy: -52.912
Base-Backbone interact. energy: -0.821
local terms energy: -63.158373
where:
bonds (distance) C4'-P energy: -14.006
bonds (distance) P-C4' energy: -12.503
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -7.651
tors. eta vs tors. theta energy: -15.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -166.597877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.597877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.597877 (E_RNA)
where:
Base-Base interactions energy: -96.069
where: short stacking energy: -54.560
Base-Backbone interact. energy: -0.719
local terms energy: -69.810284
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -15.738
flat angles C4'-P-C4' energy: -15.796
flat angles P-C4'-P energy: -9.415
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: 5, replica: 6
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -105.433855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.433855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.433855 (E_RNA)
where:
Base-Base interactions energy: -61.832
where: short stacking energy: -26.643
Base-Backbone interact. energy: 0.492
local terms energy: -44.093693
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -12.372
flat angles C4'-P-C4' energy: -14.148
flat angles P-C4'-P energy: -2.219
tors. eta vs tors. theta energy: -0.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -89.331336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.331336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.331336 (E_RNA)
where:
Base-Base interactions energy: -34.626
where: short stacking energy: -34.626
Base-Backbone interact. energy: -0.019
local terms energy: -54.686310
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -12.709
flat angles P-C4'-P energy: -2.587
tors. eta vs tors. theta energy: -7.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -90.626900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.626900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.626900 (E_RNA)
where:
Base-Base interactions energy: -45.722
where: short stacking energy: -30.267
Base-Backbone interact. energy: 0.930
local terms energy: -45.834054
where:
bonds (distance) C4'-P energy: -11.909
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -7.660
flat angles P-C4'-P energy: -5.714
tors. eta vs tors. theta energy: -7.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -80.885002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.885002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.885002 (E_RNA)
where:
Base-Base interactions energy: -26.848
where: short stacking energy: -26.848
Base-Backbone interact. energy: 0.210
local terms energy: -54.246573
where:
bonds (distance) C4'-P energy: -12.696
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -13.504
flat angles P-C4'-P energy: -6.460
tors. eta vs tors. theta energy: -4.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -77.263257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.263257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.263257 (E_RNA)
where:
Base-Base interactions energy: -23.037
where: short stacking energy: -22.514
Base-Backbone interact. energy: -0.218
local terms energy: -54.008346
where:
bonds (distance) C4'-P energy: -11.630
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -14.305
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: -2.804
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: 10, replica: 9
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -76.790048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.790048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.790048 (E_RNA)
where:
Base-Base interactions energy: -32.232
where: short stacking energy: -25.922
Base-Backbone interact. energy: -0.563
local terms energy: -43.994913
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -10.960
flat angles C4'-P-C4' energy: -9.535
flat angles P-C4'-P energy: -8.059
tors. eta vs tors. theta energy: -2.766
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: 10
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -230.770500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.770500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.770500 (E_RNA)
where:
Base-Base interactions energy: -156.968
where: short stacking energy: -74.649
Base-Backbone interact. energy: -0.025
local terms energy: -73.777909
where:
bonds (distance) C4'-P energy: -16.400
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -15.488
flat angles P-C4'-P energy: -4.646
tors. eta vs tors. theta energy: -20.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -183.796769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.796769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.796769 (E_RNA)
where:
Base-Base interactions energy: -111.974
where: short stacking energy: -63.299
Base-Backbone interact. energy: -0.007
local terms energy: -71.815991
where:
bonds (distance) C4'-P energy: -12.843
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -12.443
flat angles P-C4'-P energy: -11.916
tors. eta vs tors. theta energy: -17.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -170.066752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.066752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.066752 (E_RNA)
where:
Base-Base interactions energy: -106.282
where: short stacking energy: -56.497
Base-Backbone interact. energy: -0.110
local terms energy: -63.674266
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -9.088
tors. eta vs tors. theta energy: -13.213
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: 4
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -172.200229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.200229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.200229 (E_RNA)
where:
Base-Base interactions energy: -97.733
where: short stacking energy: -55.596
Base-Backbone interact. energy: -0.130
local terms energy: -74.337471
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -12.018
flat angles C4'-P-C4' energy: -17.757
flat angles P-C4'-P energy: -7.957
tors. eta vs tors. theta energy: -19.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -107.663949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.663949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.663949 (E_RNA)
where:
Base-Base interactions energy: -49.871
where: short stacking energy: -47.666
Base-Backbone interact. energy: -0.132
local terms energy: -57.661125
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -10.182
flat angles C4'-P-C4' energy: -11.283
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -12.968
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: 6, replica: 6
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -117.032680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.032680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.032680 (E_RNA)
where:
Base-Base interactions energy: -53.999
where: short stacking energy: -36.089
Base-Backbone interact. energy: -0.232
local terms energy: -62.801859
where:
bonds (distance) C4'-P energy: -17.957
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -7.927
tors. eta vs tors. theta energy: -6.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -91.490978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.490978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.490978 (E_RNA)
where:
Base-Base interactions energy: -33.788
where: short stacking energy: -33.788
Base-Backbone interact. energy: -0.026
local terms energy: -57.677138
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -12.082
flat angles C4'-P-C4' energy: -14.181
flat angles P-C4'-P energy: -7.736
tors. eta vs tors. theta energy: -9.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -87.731813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.731813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.731813 (E_RNA)
where:
Base-Base interactions energy: -46.544
where: short stacking energy: -18.138
Base-Backbone interact. energy: 1.948
local terms energy: -43.135995
where:
bonds (distance) C4'-P energy: -11.507
bonds (distance) P-C4' energy: -9.576
flat angles C4'-P-C4' energy: -12.667
flat angles P-C4'-P energy: -7.496
tors. eta vs tors. theta energy: -1.891
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: 9, replica: 9
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -92.134549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.134549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.134549 (E_RNA)
where:
Base-Base interactions energy: -30.971
where: short stacking energy: -30.971
Base-Backbone interact. energy: -0.007
local terms energy: -61.157165
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -10.916
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -9.008
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: 10, replica: 8
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -70.760518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.760518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.760518 (E_RNA)
where:
Base-Base interactions energy: -20.358
where: short stacking energy: -20.144
Base-Backbone interact. energy: -0.084
local terms energy: -50.318667
where:
bonds (distance) C4'-P energy: -9.589
bonds (distance) P-C4' energy: -12.479
flat angles C4'-P-C4' energy: -11.905
flat angles P-C4'-P energy: -8.060
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: 10
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -222.602288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.602288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.602288 (E_RNA)
where:
Base-Base interactions energy: -141.939
where: short stacking energy: -73.590
Base-Backbone interact. energy: -0.001
local terms energy: -80.661834
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -15.747
flat angles P-C4'-P energy: -12.367
tors. eta vs tors. theta energy: -22.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -172.513112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.513112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.513112 (E_RNA)
where:
Base-Base interactions energy: -103.887
where: short stacking energy: -64.081
Base-Backbone interact. energy: -0.017
local terms energy: -68.608881
where:
bonds (distance) C4'-P energy: -13.454
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -7.693
tors. eta vs tors. theta energy: -15.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -165.894969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.894969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.894969 (E_RNA)
where:
Base-Base interactions energy: -99.227
where: short stacking energy: -55.389
Base-Backbone interact. energy: -0.062
local terms energy: -66.605904
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -15.442
flat angles P-C4'-P energy: -9.183
tors. eta vs tors. theta energy: -12.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -169.926833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.926833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.926833 (E_RNA)
where:
Base-Base interactions energy: -109.650
where: short stacking energy: -52.956
Base-Backbone interact. energy: 0.052
local terms energy: -60.328760
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -3.724
tors. eta vs tors. theta energy: -14.850
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: 2
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -106.849695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.849695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.849695 (E_RNA)
where:
Base-Base interactions energy: -53.207
where: short stacking energy: -39.948
Base-Backbone interact. energy: -0.097
local terms energy: -53.546082
where:
bonds (distance) C4'-P energy: -11.717
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -12.920
flat angles P-C4'-P energy: -11.128
tors. eta vs tors. theta energy: -2.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -105.151835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.151835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.151835 (E_RNA)
where:
Base-Base interactions energy: -49.882
where: short stacking energy: -36.076
Base-Backbone interact. energy: 0.676
local terms energy: -55.945353
where:
bonds (distance) C4'-P energy: -9.425
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -14.686
flat angles P-C4'-P energy: -6.113
tors. eta vs tors. theta energy: -10.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -103.677338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.677338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.677338 (E_RNA)
where:
Base-Base interactions energy: -47.427
where: short stacking energy: -40.271
Base-Backbone interact. energy: -0.111
local terms energy: -56.138701
where:
bonds (distance) C4'-P energy: -9.023
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -13.586
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: -11.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -88.723813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.723813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.723813 (E_RNA)
where:
Base-Base interactions energy: -35.648
where: short stacking energy: -30.164
Base-Backbone interact. energy: -0.164
local terms energy: -52.912324
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -9.153
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -6.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -97.796533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.796533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.796533 (E_RNA)
where:
Base-Base interactions energy: -44.272
where: short stacking energy: -37.204
Base-Backbone interact. energy: -0.119
local terms energy: -53.405160
where:
bonds (distance) C4'-P energy: -8.686
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -14.975
flat angles P-C4'-P energy: -6.923
tors. eta vs tors. theta energy: -6.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -83.514537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.514537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.514537 (E_RNA)
where:
Base-Base interactions energy: -26.645
where: short stacking energy: -23.053
Base-Backbone interact. energy: -0.142
local terms energy: -56.727594
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -13.651
flat angles P-C4'-P energy: -10.650
tors. eta vs tors. theta energy: -5.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -222.358149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.358149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.358149 (E_RNA)
where:
Base-Base interactions energy: -143.832
where: short stacking energy: -76.820
Base-Backbone interact. energy: -0.003
local terms energy: -78.522567
where:
bonds (distance) C4'-P energy: -10.350
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -16.867
flat angles P-C4'-P energy: -14.477
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: 2, replica: 3
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -182.222832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.222832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.222832 (E_RNA)
where:
Base-Base interactions energy: -106.738
where: short stacking energy: -53.988
Base-Backbone interact. energy: -0.197
local terms energy: -75.288215
where:
bonds (distance) C4'-P energy: -15.912
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -17.863
flat angles P-C4'-P energy: -9.410
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: 3, replica: 4
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -167.947940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.947940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.947940 (E_RNA)
where:
Base-Base interactions energy: -95.492
where: short stacking energy: -54.751
Base-Backbone interact. energy: -0.064
local terms energy: -72.392458
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -14.527
flat angles P-C4'-P energy: -12.341
tors. eta vs tors. theta energy: -16.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -168.999560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.999560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.999560 (E_RNA)
where:
Base-Base interactions energy: -103.497
where: short stacking energy: -50.785
Base-Backbone interact. energy: -0.465
local terms energy: -65.037555
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -14.586
flat angles C4'-P-C4' energy: -16.096
flat angles P-C4'-P energy: -11.337
tors. eta vs tors. theta energy: -11.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -111.023727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.023727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.023727 (E_RNA)
where:
Base-Base interactions energy: -46.721
where: short stacking energy: -36.671
Base-Backbone interact. energy: -0.043
local terms energy: -64.259651
where:
bonds (distance) C4'-P energy: -13.559
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -17.908
flat angles P-C4'-P energy: -12.055
tors. eta vs tors. theta energy: -5.737
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: 7
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -97.839160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.839160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.839160 (E_RNA)
where:
Base-Base interactions energy: -39.869
where: short stacking energy: -39.215
Base-Backbone interact. energy: -0.071
local terms energy: -57.899415
where:
bonds (distance) C4'-P energy: -13.911
bonds (distance) P-C4' energy: -16.451
flat angles C4'-P-C4' energy: -11.984
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -4.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -93.880938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.880938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.880938 (E_RNA)
where:
Base-Base interactions energy: -42.690
where: short stacking energy: -28.424
Base-Backbone interact. energy: 0.203
local terms energy: -51.393277
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -11.934
flat angles C4'-P-C4' energy: -16.721
flat angles P-C4'-P energy: -8.955
tors. eta vs tors. theta energy: 1.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -81.090303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.090303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.090303 (E_RNA)
where:
Base-Base interactions energy: -28.145
where: short stacking energy: -28.145
Base-Backbone interact. energy: -0.142
local terms energy: -52.803894
where:
bonds (distance) C4'-P energy: -6.087
bonds (distance) P-C4' energy: -14.441
flat angles C4'-P-C4' energy: -17.282
flat angles P-C4'-P energy: -14.265
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: 9, replica: 8
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -74.833392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.833392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.833392 (E_RNA)
where:
Base-Base interactions energy: -30.391
where: short stacking energy: -29.057
Base-Backbone interact. energy: -0.601
local terms energy: -43.841477
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -8.170
flat angles P-C4'-P energy: -7.962
tors. eta vs tors. theta energy: -0.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -75.107592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.107592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.107592 (E_RNA)
where:
Base-Base interactions energy: -31.899
where: short stacking energy: -28.215
Base-Backbone interact. energy: -0.191
local terms energy: -43.018184
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -10.786
flat angles P-C4'-P energy: -7.789
tors. eta vs tors. theta energy: 0.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -216.282919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.282919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.282919 (E_RNA)
where:
Base-Base interactions energy: -138.119
where: short stacking energy: -73.743
Base-Backbone interact. energy: -0.114
local terms energy: -78.049169
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -15.871
flat angles P-C4'-P energy: -10.722
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: 2, replica: 4
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -173.387695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.387695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.387695 (E_RNA)
where:
Base-Base interactions energy: -107.815
where: short stacking energy: -54.932
Base-Backbone interact. energy: -0.182
local terms energy: -65.390235
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -10.923
flat angles C4'-P-C4' energy: -12.642
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -14.472
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: 3
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -174.530340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.530340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.530340 (E_RNA)
where:
Base-Base interactions energy: -110.463
where: short stacking energy: -56.900
Base-Backbone interact. energy: -0.035
local terms energy: -64.032038
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -14.303
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: -10.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -181.312960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.312960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.312960 (E_RNA)
where:
Base-Base interactions energy: -109.384
where: short stacking energy: -64.928
Base-Backbone interact. energy: -0.004
local terms energy: -71.925540
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -14.914
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -16.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -89.634962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.634962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.634962 (E_RNA)
where:
Base-Base interactions energy: -40.886
where: short stacking energy: -40.886
Base-Backbone interact. energy: -0.099
local terms energy: -48.649739
where:
bonds (distance) C4'-P energy: -10.630
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -7.144
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: 6, replica: 9
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -97.331572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.331572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.331572 (E_RNA)
where:
Base-Base interactions energy: -37.811
where: short stacking energy: -37.811
Base-Backbone interact. energy: -0.024
local terms energy: -59.495854
where:
bonds (distance) C4'-P energy: -14.514
bonds (distance) P-C4' energy: -12.726
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -9.578
tors. eta vs tors. theta energy: -7.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -93.260478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.260478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.260478 (E_RNA)
where:
Base-Base interactions energy: -40.320
where: short stacking energy: -31.388
Base-Backbone interact. energy: -0.148
local terms energy: -52.792707
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -13.047
flat angles P-C4'-P energy: -7.975
tors. eta vs tors. theta energy: -5.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -86.262470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.262470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.262470 (E_RNA)
where:
Base-Base interactions energy: -36.387
where: short stacking energy: -25.694
Base-Backbone interact. energy: 0.546
local terms energy: -50.421167
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -9.360
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -3.630
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: 9, replica: 6
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -76.502194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.502194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.502194 (E_RNA)
where:
Base-Base interactions energy: -29.168
where: short stacking energy: -26.943
Base-Backbone interact. energy: -0.007
local terms energy: -47.327212
where:
bonds (distance) C4'-P energy: -10.960
bonds (distance) P-C4' energy: -12.614
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -6.723
tors. eta vs tors. theta energy: -3.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -76.756736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.756736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.756736 (E_RNA)
where:
Base-Base interactions energy: -25.258
where: short stacking energy: -20.985
Base-Backbone interact. energy: 0.217
local terms energy: -51.715423
where:
bonds (distance) C4'-P energy: -10.811
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -14.586
flat angles P-C4'-P energy: -4.111
tors. eta vs tors. theta energy: -3.982
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: 10
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -214.880860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.880860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.880860 (E_RNA)
where:
Base-Base interactions energy: -141.238
where: short stacking energy: -74.176
Base-Backbone interact. energy: -0.290
local terms energy: -73.352682
where:
bonds (distance) C4'-P energy: -10.538
bonds (distance) P-C4' energy: -11.235
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -12.073
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: 2, replica: 4
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -183.124186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.124186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.124186 (E_RNA)
where:
Base-Base interactions energy: -112.093
where: short stacking energy: -53.780
Base-Backbone interact. energy: -0.126
local terms energy: -70.905366
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -11.358
tors. eta vs tors. theta energy: -15.015
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: 1
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -178.038464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.038464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.038464 (E_RNA)
where:
Base-Base interactions energy: -108.490
where: short stacking energy: -60.344
Base-Backbone interact. energy: 1.617
local terms energy: -71.165118
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -11.171
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: 4, replica: 3
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -161.760415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.760415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.760415 (E_RNA)
where:
Base-Base interactions energy: -90.168
where: short stacking energy: -48.654
Base-Backbone interact. energy: -0.001
local terms energy: -71.591049
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -16.257
flat angles P-C4'-P energy: -6.870
tors. eta vs tors. theta energy: -17.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -103.708181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.708181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.708181 (E_RNA)
where:
Base-Base interactions energy: -45.472
where: short stacking energy: -30.636
Base-Backbone interact. energy: -0.525
local terms energy: -57.711427
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -11.864
flat angles P-C4'-P energy: -9.085
tors. eta vs tors. theta energy: -5.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -93.039619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.039619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.039619 (E_RNA)
where:
Base-Base interactions energy: -35.681
where: short stacking energy: -31.325
Base-Backbone interact. energy: -0.338
local terms energy: -57.020759
where:
bonds (distance) C4'-P energy: -14.349
bonds (distance) P-C4' energy: -11.912
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -9.433
tors. eta vs tors. theta energy: -6.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -93.776463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.776463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.776463 (E_RNA)
where:
Base-Base interactions energy: -38.803
where: short stacking energy: -28.930
Base-Backbone interact. energy: -0.329
local terms energy: -54.644578
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -2.434
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: 8
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -85.519150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.519150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.519150 (E_RNA)
where:
Base-Base interactions energy: -33.133
where: short stacking energy: -23.307
Base-Backbone interact. energy: -0.242
local terms energy: -52.143750
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -12.211
flat angles P-C4'-P energy: -9.473
tors. eta vs tors. theta energy: -2.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -86.386185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.386185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.386185 (E_RNA)
where:
Base-Base interactions energy: -41.239
where: short stacking energy: -27.145
Base-Backbone interact. energy: 1.883
local terms energy: -47.030201
where:
bonds (distance) C4'-P energy: -11.208
bonds (distance) P-C4' energy: -12.468
flat angles C4'-P-C4' energy: -10.470
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: -3.962
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: 6
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -73.735887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.735887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.735887 (E_RNA)
where:
Base-Base interactions energy: -35.168
where: short stacking energy: -23.420
Base-Backbone interact. energy: -1.111
local terms energy: -37.457149
where:
bonds (distance) C4'-P energy: -13.189
bonds (distance) P-C4' energy: -9.686
flat angles C4'-P-C4' energy: -11.641
flat angles P-C4'-P energy: -3.149
tors. eta vs tors. theta energy: 0.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -216.030908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.030908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.030908 (E_RNA)
where:
Base-Base interactions energy: -137.690
where: short stacking energy: -71.204
Base-Backbone interact. energy: -0.017
local terms energy: -78.323168
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -15.970
flat angles P-C4'-P energy: -12.582
tors. eta vs tors. theta energy: -19.794
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: 1
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -174.197670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.197670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.197670 (E_RNA)
where:
Base-Base interactions energy: -102.982
where: short stacking energy: -59.135
Base-Backbone interact. energy: 0.039
local terms energy: -71.254428
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -12.813
flat angles P-C4'-P energy: -10.138
tors. eta vs tors. theta energy: -18.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -170.293984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.293984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.293984 (E_RNA)
where:
Base-Base interactions energy: -108.537
where: short stacking energy: -48.750
Base-Backbone interact. energy: 0.523
local terms energy: -62.279385
where:
bonds (distance) C4'-P energy: -9.081
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: -12.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -188.333531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.333531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.333531 (E_RNA)
where:
Base-Base interactions energy: -121.102
where: short stacking energy: -54.556
Base-Backbone interact. energy: 0.028
local terms energy: -67.259918
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -10.752
flat angles C4'-P-C4' energy: -18.905
flat angles P-C4'-P energy: -10.664
tors. eta vs tors. theta energy: -12.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -107.135477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.135477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.135477 (E_RNA)
where:
Base-Base interactions energy: -53.742
where: short stacking energy: -42.675
Base-Backbone interact. energy: -0.291
local terms energy: -53.102924
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -11.855
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -7.666
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: 55
Temperature: 1.150000
Total energy: -93.237934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.237934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.237934 (E_RNA)
where:
Base-Base interactions energy: -42.551
where: short stacking energy: -31.540
Base-Backbone interact. energy: 0.304
local terms energy: -50.990625
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -10.613
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -5.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -102.438270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.438270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.438270 (E_RNA)
where:
Base-Base interactions energy: -43.178
where: short stacking energy: -31.040
Base-Backbone interact. energy: -0.029
local terms energy: -59.231080
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -12.134
flat angles C4'-P-C4' energy: -13.565
flat angles P-C4'-P energy: -14.243
tors. eta vs tors. theta energy: -3.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -88.717190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.717190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.717190 (E_RNA)
where:
Base-Base interactions energy: -37.959
where: short stacking energy: -32.866
Base-Backbone interact. energy: -0.185
local terms energy: -50.573128
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -12.537
flat angles P-C4'-P energy: -6.782
tors. eta vs tors. theta energy: -4.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -80.530892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.530892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.530892 (E_RNA)
where:
Base-Base interactions energy: -23.087
where: short stacking energy: -23.087
Base-Backbone interact. energy: -0.049
local terms energy: -57.395493
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -15.518
flat angles C4'-P-C4' energy: -15.221
flat angles P-C4'-P energy: -8.323
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: 10, replica: 6
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -75.166368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.166368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.166368 (E_RNA)
where:
Base-Base interactions energy: -22.373
where: short stacking energy: -19.631
Base-Backbone interact. energy: -0.014
local terms energy: -52.779607
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -11.422
flat angles P-C4'-P energy: -7.049
tors. eta vs tors. theta energy: -1.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -209.874201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.874201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.874201 (E_RNA)
where:
Base-Base interactions energy: -137.613
where: short stacking energy: -66.469
Base-Backbone interact. energy: -0.203
local terms energy: -72.058800
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -14.548
flat angles P-C4'-P energy: -9.042
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: 2, replica: 1
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -176.390809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.390809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.390809 (E_RNA)
where:
Base-Base interactions energy: -105.065
where: short stacking energy: -63.693
Base-Backbone interact. energy: -0.003
local terms energy: -71.323232
where:
bonds (distance) C4'-P energy: -15.062
bonds (distance) P-C4' energy: -14.601
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -11.763
tors. eta vs tors. theta energy: -14.343
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: 3
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -187.000915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.000915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.000915 (E_RNA)
where:
Base-Base interactions energy: -122.628
where: short stacking energy: -55.086
Base-Backbone interact. energy: -0.153
local terms energy: -64.219163
where:
bonds (distance) C4'-P energy: -12.639
bonds (distance) P-C4' energy: -12.329
flat angles C4'-P-C4' energy: -16.978
flat angles P-C4'-P energy: -9.096
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: 4, replica: 4
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -177.610427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.610427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.610427 (E_RNA)
where:
Base-Base interactions energy: -107.482
where: short stacking energy: -65.089
Base-Backbone interact. energy: -0.157
local terms energy: -69.970548
where:
bonds (distance) C4'-P energy: -16.516
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -15.358
flat angles P-C4'-P energy: -9.190
tors. eta vs tors. theta energy: -13.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -104.693172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.693172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.693172 (E_RNA)
where:
Base-Base interactions energy: -44.795
where: short stacking energy: -43.680
Base-Backbone interact. energy: -0.017
local terms energy: -59.881546
where:
bonds (distance) C4'-P energy: -15.307
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -12.330
flat angles P-C4'-P energy: -7.794
tors. eta vs tors. theta energy: -8.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -105.274267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.274267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.274267 (E_RNA)
where:
Base-Base interactions energy: -44.346
where: short stacking energy: -32.835
Base-Backbone interact. energy: -0.117
local terms energy: -60.811650
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -6.740
tors. eta vs tors. theta energy: -11.163
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: 56
Temperature: 1.200000
Total energy: -93.478317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.478317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.478317 (E_RNA)
where:
Base-Base interactions energy: -37.565
where: short stacking energy: -33.815
Base-Backbone interact. energy: -0.299
local terms energy: -55.614175
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -16.446
flat angles C4'-P-C4' energy: -9.899
flat angles P-C4'-P energy: -9.622
tors. eta vs tors. theta energy: -4.531
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: 2
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -82.448284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.448284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.448284 (E_RNA)
where:
Base-Base interactions energy: -28.223
where: short stacking energy: -26.518
Base-Backbone interact. energy: 0.262
local terms energy: -54.487079
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -12.389
flat angles P-C4'-P energy: -13.312
tors. eta vs tors. theta energy: -2.356
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: 9, replica: 6
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -75.092606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.092606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.092606 (E_RNA)
where:
Base-Base interactions energy: -29.634
where: short stacking energy: -24.978
Base-Backbone interact. energy: -0.039
local terms energy: -45.420302
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -12.005
flat angles P-C4'-P energy: -5.366
tors. eta vs tors. theta energy: 2.306
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: 8
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -70.956092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.956092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.956092 (E_RNA)
where:
Base-Base interactions energy: -17.973
where: short stacking energy: -17.973
Base-Backbone interact. energy: -0.280
local terms energy: -52.702436
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -15.815
flat angles P-C4'-P energy: -6.094
tors. eta vs tors. theta energy: -0.166
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: 10
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -212.017004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.017004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.017004 (E_RNA)
where:
Base-Base interactions energy: -135.851
where: short stacking energy: -62.813
Base-Backbone interact. energy: -1.401
local terms energy: -74.765018
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -17.672
flat angles P-C4'-P energy: -8.567
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: 2, replica: 3
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -190.314141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.314141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.314141 (E_RNA)
where:
Base-Base interactions energy: -131.467
where: short stacking energy: -55.437
Base-Backbone interact. energy: -0.111
local terms energy: -58.736511
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -12.724
flat angles P-C4'-P energy: -4.057
tors. eta vs tors. theta energy: -13.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -170.114640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.114640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.114640 (E_RNA)
where:
Base-Base interactions energy: -98.832
where: short stacking energy: -52.695
Base-Backbone interact. energy: -0.004
local terms energy: -71.278091
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -17.182
flat angles C4'-P-C4' energy: -14.814
flat angles P-C4'-P energy: -9.241
tors. eta vs tors. theta energy: -14.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -169.750327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.750327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.750327 (E_RNA)
where:
Base-Base interactions energy: -100.061
where: short stacking energy: -56.139
Base-Backbone interact. energy: -0.112
local terms energy: -69.577554
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -14.017
flat angles P-C4'-P energy: -7.225
tors. eta vs tors. theta energy: -17.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -108.485385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.485385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.485385 (E_RNA)
where:
Base-Base interactions energy: -46.755
where: short stacking energy: -46.755
Base-Backbone interact. energy: 0.708
local terms energy: -62.438521
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -14.777
flat angles C4'-P-C4' energy: -14.861
flat angles P-C4'-P energy: -9.937
tors. eta vs tors. theta energy: -9.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -102.367012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.367012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.367012 (E_RNA)
where:
Base-Base interactions energy: -40.027
where: short stacking energy: -36.647
Base-Backbone interact. energy: -0.445
local terms energy: -61.894989
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -15.091
flat angles C4'-P-C4' energy: -12.802
flat angles P-C4'-P energy: -8.379
tors. eta vs tors. theta energy: -10.116
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: 9
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -111.135787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.135787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.135787 (E_RNA)
where:
Base-Base interactions energy: -50.312
where: short stacking energy: -38.871
Base-Backbone interact. energy: -0.197
local terms energy: -60.627310
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -14.732
flat angles P-C4'-P energy: -5.382
tors. eta vs tors. theta energy: -7.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -94.848645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.848645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.848645 (E_RNA)
where:
Base-Base interactions energy: -41.045
where: short stacking energy: -30.540
Base-Backbone interact. energy: -0.341
local terms energy: -53.462341
where:
bonds (distance) C4'-P energy: -8.990
bonds (distance) P-C4' energy: -13.556
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -4.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -84.545113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.545113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.545113 (E_RNA)
where:
Base-Base interactions energy: -30.216
where: short stacking energy: -28.001
Base-Backbone interact. energy: -0.166
local terms energy: -54.163469
where:
bonds (distance) C4'-P energy: -10.675
bonds (distance) P-C4' energy: -16.951
flat angles C4'-P-C4' energy: -15.301
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: -0.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -78.874375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.874375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.874375 (E_RNA)
where:
Base-Base interactions energy: -28.632
where: short stacking energy: -27.702
Base-Backbone interact. energy: -0.105
local terms energy: -50.136672
where:
bonds (distance) C4'-P energy: -12.538
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -14.240
flat angles P-C4'-P energy: -3.084
tors. eta vs tors. theta energy: -3.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -203.713094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.713094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.713094 (E_RNA)
where:
Base-Base interactions energy: -130.286
where: short stacking energy: -60.965
Base-Backbone interact. energy: -0.061
local terms energy: -73.365886
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -15.775
flat angles C4'-P-C4' energy: -13.757
flat angles P-C4'-P energy: -6.846
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: 2, replica: 3
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -177.694536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.694536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.694536 (E_RNA)
where:
Base-Base interactions energy: -107.083
where: short stacking energy: -61.607
Base-Backbone interact. energy: -0.006
local terms energy: -70.606506
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -14.812
flat angles P-C4'-P energy: -10.561
tors. eta vs tors. theta energy: -18.255
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: 3, replica: 1
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -168.277852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.277852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.277852 (E_RNA)
where:
Base-Base interactions energy: -96.777
where: short stacking energy: -48.870
Base-Backbone interact. energy: -0.055
local terms energy: -71.446280
where:
bonds (distance) C4'-P energy: -17.248
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -17.323
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -11.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -162.343051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.343051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.343051 (E_RNA)
where:
Base-Base interactions energy: -97.514
where: short stacking energy: -54.035
Base-Backbone interact. energy: -0.138
local terms energy: -64.691132
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -12.860
flat angles C4'-P-C4' energy: -13.228
flat angles P-C4'-P energy: -14.327
tors. eta vs tors. theta energy: -10.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -113.776280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.776280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.776280 (E_RNA)
where:
Base-Base interactions energy: -58.043
where: short stacking energy: -39.852
Base-Backbone interact. energy: 1.589
local terms energy: -57.322875
where:
bonds (distance) C4'-P energy: -8.465
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -15.613
flat angles P-C4'-P energy: -10.799
tors. eta vs tors. theta energy: -6.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -96.032830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.032830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.032830 (E_RNA)
where:
Base-Base interactions energy: -32.711
where: short stacking energy: -32.711
Base-Backbone interact. energy: -0.122
local terms energy: -63.199885
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -14.966
flat angles C4'-P-C4' energy: -11.672
flat angles P-C4'-P energy: -12.400
tors. eta vs tors. theta energy: -9.674
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: 6
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -85.116969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.116969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.116969 (E_RNA)
where:
Base-Base interactions energy: -38.739
where: short stacking energy: -25.391
Base-Backbone interact. energy: -0.453
local terms energy: -45.925486
where:
bonds (distance) C4'-P energy: -12.858
bonds (distance) P-C4' energy: -17.073
flat angles C4'-P-C4' energy: -8.251
flat angles P-C4'-P energy: -6.202
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: 8, replica: 9
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -90.342127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.342127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.342127 (E_RNA)
where:
Base-Base interactions energy: -39.489
where: short stacking energy: -19.366
Base-Backbone interact. energy: -0.150
local terms energy: -50.703075
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -10.357
flat angles P-C4'-P energy: -6.334
tors. eta vs tors. theta energy: -3.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -81.228819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.228819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.228819 (E_RNA)
where:
Base-Base interactions energy: -32.784
where: short stacking energy: -28.454
Base-Backbone interact. energy: 1.285
local terms energy: -49.730065
where:
bonds (distance) C4'-P energy: -11.453
bonds (distance) P-C4' energy: -12.943
flat angles C4'-P-C4' energy: -15.312
flat angles P-C4'-P energy: -3.874
tors. eta vs tors. theta energy: -6.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -72.160668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.160668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.160668 (E_RNA)
where:
Base-Base interactions energy: -28.087
where: short stacking energy: -23.940
Base-Backbone interact. energy: 1.356
local terms energy: -45.429062
where:
bonds (distance) C4'-P energy: -6.528
bonds (distance) P-C4' energy: -12.853
flat angles C4'-P-C4' energy: -14.190
flat angles P-C4'-P energy: -12.386
tors. eta vs tors. theta energy: 0.528
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: 1, replica: 10
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -198.746971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.746971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.746971 (E_RNA)
where:
Base-Base interactions energy: -125.576
where: short stacking energy: -56.375
Base-Backbone interact. energy: 0.352
local terms energy: -73.523272
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -17.221
flat angles P-C4'-P energy: -11.642
tors. eta vs tors. theta energy: -14.460
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: 59
Temperature: 0.950000
Total energy: -173.242028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.242028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.242028 (E_RNA)
where:
Base-Base interactions energy: -100.713
where: short stacking energy: -56.476
Base-Backbone interact. energy: -0.119
local terms energy: -72.410504
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -15.989
flat angles C4'-P-C4' energy: -16.564
flat angles P-C4'-P energy: -12.627
tors. eta vs tors. theta energy: -13.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -173.196410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.196410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.196410 (E_RNA)
where:
Base-Base interactions energy: -104.563
where: short stacking energy: -48.763
Base-Backbone interact. energy: -0.102
local terms energy: -68.531643
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -12.867
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: 4, replica: 7
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -113.369406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.369406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.369406 (E_RNA)
where:
Base-Base interactions energy: -55.203
where: short stacking energy: -51.999
Base-Backbone interact. energy: -0.065
local terms energy: -58.101170
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -9.294
flat angles C4'-P-C4' energy: -14.145
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: -11.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -159.964283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.964283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.964283 (E_RNA)
where:
Base-Base interactions energy: -89.764
where: short stacking energy: -50.717
Base-Backbone interact. energy: -0.066
local terms energy: -70.133862
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -10.448
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -17.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -115.815617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.815617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.815617 (E_RNA)
where:
Base-Base interactions energy: -53.688
where: short stacking energy: -39.955
Base-Backbone interact. energy: -1.353
local terms energy: -60.775218
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -14.426
flat angles C4'-P-C4' energy: -14.730
flat angles P-C4'-P energy: -9.576
tors. eta vs tors. theta energy: -10.371
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: 7, replica: 5
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -94.979758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.979758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.979758 (E_RNA)
where:
Base-Base interactions energy: -45.705
where: short stacking energy: -29.751
Base-Backbone interact. energy: -0.128
local terms energy: -49.146332
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -8.003
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: -2.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -87.069083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.069083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.069083 (E_RNA)
where:
Base-Base interactions energy: -37.104
where: short stacking energy: -32.239
Base-Backbone interact. energy: -0.140
local terms energy: -49.824900
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -12.031
flat angles C4'-P-C4' energy: -12.933
flat angles P-C4'-P energy: -7.520
tors. eta vs tors. theta energy: -2.252
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: 9
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -77.182848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.182848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.182848 (E_RNA)
where:
Base-Base interactions energy: -28.368
where: short stacking energy: -20.180
Base-Backbone interact. energy: -0.067
local terms energy: -48.747907
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -14.503
flat angles C4'-P-C4' energy: -13.670
flat angles P-C4'-P energy: -7.655
tors. eta vs tors. theta energy: -0.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -74.407685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.407685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.407685 (E_RNA)
where:
Base-Base interactions energy: -34.315
where: short stacking energy: -34.315
Base-Backbone interact. energy: 0.048
local terms energy: -40.140485
where:
bonds (distance) C4'-P energy: -8.104
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -11.060
flat angles P-C4'-P energy: -1.412
tors. eta vs tors. theta energy: -4.818
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: 10
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -196.037980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.037980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.037980 (E_RNA)
where:
Base-Base interactions energy: -122.285
where: short stacking energy: -64.736
Base-Backbone interact. energy: -0.125
local terms energy: -73.628293
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -17.059
flat angles P-C4'-P energy: -8.717
tors. eta vs tors. theta energy: -17.221
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: 1
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -174.238352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.238352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.238352 (E_RNA)
where:
Base-Base interactions energy: -105.047
where: short stacking energy: -60.538
Base-Backbone interact. energy: -0.007
local terms energy: -69.184664
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -11.256
tors. eta vs tors. theta energy: -13.350
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: 3, replica: 7
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -141.323076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.323076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.323076 (E_RNA)
where:
Base-Base interactions energy: -74.490
where: short stacking energy: -49.472
Base-Backbone interact. energy: -0.056
local terms energy: -66.777256
where:
bonds (distance) C4'-P energy: -11.628
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -14.013
flat angles P-C4'-P energy: -12.545
tors. eta vs tors. theta energy: -13.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -164.860542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.860542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.860542 (E_RNA)
where:
Base-Base interactions energy: -92.416
where: short stacking energy: -45.066
Base-Backbone interact. energy: -0.046
local terms energy: -72.398368
where:
bonds (distance) C4'-P energy: -14.577
bonds (distance) P-C4' energy: -18.446
flat angles C4'-P-C4' energy: -16.356
flat angles P-C4'-P energy: -10.019
tors. eta vs tors. theta energy: -13.000
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: 60
Temperature: 1.100000
Total energy: -161.286000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.286000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.286000 (E_RNA)
where:
Base-Base interactions energy: -97.589
where: short stacking energy: -58.590
Base-Backbone interact. energy: -0.157
local terms energy: -63.540254
where:
bonds (distance) C4'-P energy: -12.801
bonds (distance) P-C4' energy: -11.843
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -8.204
tors. eta vs tors. theta energy: -15.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -103.588406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.588406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.588406 (E_RNA)
where:
Base-Base interactions energy: -47.404
where: short stacking energy: -41.856
Base-Backbone interact. energy: -0.012
local terms energy: -56.172426
where:
bonds (distance) C4'-P energy: -8.778
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -6.883
flat angles P-C4'-P energy: -12.967
tors. eta vs tors. theta energy: -11.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -89.559023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.559023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.559023 (E_RNA)
where:
Base-Base interactions energy: -35.530
where: short stacking energy: -34.611
Base-Backbone interact. energy: -0.137
local terms energy: -53.891767
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -12.946
flat angles C4'-P-C4' energy: -12.175
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -7.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -81.818390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.818390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.818390 (E_RNA)
where:
Base-Base interactions energy: -31.563
where: short stacking energy: -15.034
Base-Backbone interact. energy: -0.088
local terms energy: -50.166895
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -8.441
flat angles P-C4'-P energy: -9.537
tors. eta vs tors. theta energy: -2.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -77.627607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.627607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.627607 (E_RNA)
where:
Base-Base interactions energy: -29.388
where: short stacking energy: -28.492
Base-Backbone interact. energy: 0.180
local terms energy: -48.419429
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -10.942
flat angles C4'-P-C4' energy: -11.139
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -4.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -81.806108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.806108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.806108 (E_RNA)
where:
Base-Base interactions energy: -32.536
where: short stacking energy: -32.536
Base-Backbone interact. energy: -0.039
local terms energy: -49.231052
where:
bonds (distance) C4'-P energy: -9.291
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -10.025
flat angles P-C4'-P energy: -4.907
tors. eta vs tors. theta energy: -6.761
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: 61
Temperature: 0.900000
Total energy: -217.478288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.478288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.478288 (E_RNA)
where:
Base-Base interactions energy: -147.973
where: short stacking energy: -71.859
Base-Backbone interact. energy: -0.443
local terms energy: -69.062477
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -11.370
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -7.869
tors. eta vs tors. theta energy: -21.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -178.203405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.203405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.203405 (E_RNA)
where:
Base-Base interactions energy: -102.001
where: short stacking energy: -57.644
Base-Backbone interact. energy: -0.002
local terms energy: -76.200590
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -13.193
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -13.905
tors. eta vs tors. theta energy: -18.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -125.844445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.844445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.844445 (E_RNA)
where:
Base-Base interactions energy: -60.808
where: short stacking energy: -35.196
Base-Backbone interact. energy: -0.118
local terms energy: -64.918333
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -16.330
flat angles C4'-P-C4' energy: -12.361
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: -12.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -176.229370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.229370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.229370 (E_RNA)
where:
Base-Base interactions energy: -105.259
where: short stacking energy: -59.003
Base-Backbone interact. energy: -0.023
local terms energy: -70.947514
where:
bonds (distance) C4'-P energy: -16.286
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -11.738
flat angles P-C4'-P energy: -12.132
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: 5, replica: 4
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -160.821210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.821210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.821210 (E_RNA)
where:
Base-Base interactions energy: -96.683
where: short stacking energy: -55.099
Base-Backbone interact. energy: -1.672
local terms energy: -62.467175
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -8.404
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: -15.024
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: 61
Temperature: 1.150000
Total energy: -92.863895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.863895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.863895 (E_RNA)
where:
Base-Base interactions energy: -41.077
where: short stacking energy: -40.022
Base-Backbone interact. energy: -0.225
local terms energy: -51.562604
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -12.913
flat angles C4'-P-C4' energy: -8.709
flat angles P-C4'-P energy: -8.757
tors. eta vs tors. theta energy: -5.298
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: 6
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -100.310425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.310425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.310425 (E_RNA)
where:
Base-Base interactions energy: -50.561
where: short stacking energy: -45.622
Base-Backbone interact. energy: -2.041
local terms energy: -47.709056
where:
bonds (distance) C4'-P energy: -10.936
bonds (distance) P-C4' energy: -12.996
flat angles C4'-P-C4' energy: -12.221
flat angles P-C4'-P energy: -5.159
tors. eta vs tors. theta energy: -6.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -85.876413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.876413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.876413 (E_RNA)
where:
Base-Base interactions energy: -44.370
where: short stacking energy: -21.374
Base-Backbone interact. energy: -0.248
local terms energy: -41.259156
where:
bonds (distance) C4'-P energy: -15.168
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -6.332
flat angles P-C4'-P energy: -8.044
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: 9, replica: 2
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -86.110734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.110734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.110734 (E_RNA)
where:
Base-Base interactions energy: -38.667
where: short stacking energy: -28.551
Base-Backbone interact. energy: -0.132
local terms energy: -47.312115
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -11.744
flat angles C4'-P-C4' energy: -14.015
flat angles P-C4'-P energy: -7.342
tors. eta vs tors. theta energy: -2.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -77.141880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.141880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.141880 (E_RNA)
where:
Base-Base interactions energy: -22.041
where: short stacking energy: -22.421
Base-Backbone interact. energy: -0.632
local terms energy: -54.468114
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -10.849
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -4.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -222.778662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.778662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.778662 (E_RNA)
where:
Base-Base interactions energy: -144.515
where: short stacking energy: -69.631
Base-Backbone interact. energy: -0.175
local terms energy: -78.089178
where:
bonds (distance) C4'-P energy: -14.189
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -15.914
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: -19.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -173.590579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.590579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.590579 (E_RNA)
where:
Base-Base interactions energy: -100.625
where: short stacking energy: -61.010
Base-Backbone interact. energy: -0.056
local terms energy: -72.909375
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -15.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -135.430710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.430710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.430710 (E_RNA)
where:
Base-Base interactions energy: -75.442
where: short stacking energy: -35.094
Base-Backbone interact. energy: -0.286
local terms energy: -59.703097
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -16.320
flat angles P-C4'-P energy: -7.716
tors. eta vs tors. theta energy: -6.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -109.677812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.677812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.677812 (E_RNA)
where:
Base-Base interactions energy: -55.980
where: short stacking energy: -40.641
Base-Backbone interact. energy: 0.456
local terms energy: -54.153621
where:
bonds (distance) C4'-P energy: -10.207
bonds (distance) P-C4' energy: -12.831
flat angles C4'-P-C4' energy: -13.132
flat angles P-C4'-P energy: -7.751
tors. eta vs tors. theta energy: -10.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -141.507837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.507837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.507837 (E_RNA)
where:
Base-Base interactions energy: -81.357
where: short stacking energy: -51.221
Base-Backbone interact. energy: -0.238
local terms energy: -59.912906
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -13.732
flat angles P-C4'-P energy: -7.982
tors. eta vs tors. theta energy: -8.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -95.559875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.559875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.559875 (E_RNA)
where:
Base-Base interactions energy: -43.072
where: short stacking energy: -24.616
Base-Backbone interact. energy: -0.064
local terms energy: -52.423809
where:
bonds (distance) C4'-P energy: -12.549
bonds (distance) P-C4' energy: -12.636
flat angles C4'-P-C4' energy: -12.268
flat angles P-C4'-P energy: -9.290
tors. eta vs tors. theta energy: -5.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -89.320630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.320630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.320630 (E_RNA)
where:
Base-Base interactions energy: -43.777
where: short stacking energy: -30.401
Base-Backbone interact. energy: -0.008
local terms energy: -45.535021
where:
bonds (distance) C4'-P energy: -3.499
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -9.701
flat angles P-C4'-P energy: -7.906
tors. eta vs tors. theta energy: -10.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -100.866993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.866993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.866993 (E_RNA)
where:
Base-Base interactions energy: -47.183
where: short stacking energy: -42.675
Base-Backbone interact. energy: -0.180
local terms energy: -53.504151
where:
bonds (distance) C4'-P energy: -9.892
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -5.623
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: 2
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -76.092641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.092641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.092641 (E_RNA)
where:
Base-Base interactions energy: -25.212
where: short stacking energy: -19.449
Base-Backbone interact. energy: 0.194
local terms energy: -51.073875
where:
bonds (distance) C4'-P energy: -10.775
bonds (distance) P-C4' energy: -17.597
flat angles C4'-P-C4' energy: -11.167
flat angles P-C4'-P energy: -10.495
tors. eta vs tors. theta energy: -1.041
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: 9
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -82.834810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.834810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.834810 (E_RNA)
where:
Base-Base interactions energy: -41.836
where: short stacking energy: -20.174
Base-Backbone interact. energy: -0.283
local terms energy: -40.715942
where:
bonds (distance) C4'-P energy: -14.834
bonds (distance) P-C4' energy: -9.583
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -5.438
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: 10
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -225.050757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.050757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.050757 (E_RNA)
where:
Base-Base interactions energy: -142.790
where: short stacking energy: -74.638
Base-Backbone interact. energy: -0.600
local terms energy: -81.660386
where:
bonds (distance) C4'-P energy: -13.025
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -16.270
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: -23.178
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: 1
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -173.997086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.997086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.997086 (E_RNA)
where:
Base-Base interactions energy: -103.326
where: short stacking energy: -64.787
Base-Backbone interact. energy: -0.000
local terms energy: -70.671089
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -10.550
tors. eta vs tors. theta energy: -12.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -133.916646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.916646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.916646 (E_RNA)
where:
Base-Base interactions energy: -80.700
where: short stacking energy: -39.405
Base-Backbone interact. energy: -0.303
local terms energy: -52.913930
where:
bonds (distance) C4'-P energy: -12.672
bonds (distance) P-C4' energy: -14.267
flat angles C4'-P-C4' energy: -14.566
flat angles P-C4'-P energy: -6.217
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: 4, replica: 4
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -126.691449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.691449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.691449 (E_RNA)
where:
Base-Base interactions energy: -65.120
where: short stacking energy: -45.882
Base-Backbone interact. energy: -0.001
local terms energy: -61.570081
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -8.304
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -12.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -91.231861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.231861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.231861 (E_RNA)
where:
Base-Base interactions energy: -34.573
where: short stacking energy: -34.573
Base-Backbone interact. energy: 0.098
local terms energy: -56.757014
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -12.462
flat angles C4'-P-C4' energy: -14.120
flat angles P-C4'-P energy: -12.240
tors. eta vs tors. theta energy: -1.617
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: 5
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -109.327748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.327748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.327748 (E_RNA)
where:
Base-Base interactions energy: -46.350
where: short stacking energy: -31.572
Base-Backbone interact. energy: -1.320
local terms energy: -61.657880
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -15.674
flat angles P-C4'-P energy: -6.590
tors. eta vs tors. theta energy: -10.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -82.932094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.932094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.932094 (E_RNA)
where:
Base-Base interactions energy: -24.821
where: short stacking energy: -24.821
Base-Backbone interact. energy: 0.795
local terms energy: -58.905930
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -8.758
flat angles P-C4'-P energy: -11.109
tors. eta vs tors. theta energy: -5.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -82.828022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.828022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.828022 (E_RNA)
where:
Base-Base interactions energy: -34.313
where: short stacking energy: -17.425
Base-Backbone interact. energy: -0.468
local terms energy: -48.047344
where:
bonds (distance) C4'-P energy: -9.284
bonds (distance) P-C4' energy: -12.336
flat angles C4'-P-C4' energy: -13.863
flat angles P-C4'-P energy: -11.332
tors. eta vs tors. theta energy: -1.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -88.461167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.461167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.461167 (E_RNA)
where:
Base-Base interactions energy: -40.518
where: short stacking energy: -32.015
Base-Backbone interact. energy: -0.312
local terms energy: -47.630838
where:
bonds (distance) C4'-P energy: -10.907
bonds (distance) P-C4' energy: -13.643
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -6.996
tors. eta vs tors. theta energy: -1.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -73.584027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.584027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.584027 (E_RNA)
where:
Base-Base interactions energy: -31.367
where: short stacking energy: -17.839
Base-Backbone interact. energy: -0.189
local terms energy: -42.027554
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -9.379
flat angles P-C4'-P energy: -9.734
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: 1, replica: 10
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -224.024587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.024587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.024587 (E_RNA)
where:
Base-Base interactions energy: -145.167
where: short stacking energy: -74.325
Base-Backbone interact. energy: -0.049
local terms energy: -78.808641
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -17.230
flat angles P-C4'-P energy: -12.009
tors. eta vs tors. theta energy: -23.402
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: 1
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -174.448824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.448824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.448824 (E_RNA)
where:
Base-Base interactions energy: -107.797
where: short stacking energy: -59.416
Base-Backbone interact. energy: -0.479
local terms energy: -66.172698
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -15.778
flat angles P-C4'-P energy: -8.414
tors. eta vs tors. theta energy: -13.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -118.131825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.131825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.131825 (E_RNA)
where:
Base-Base interactions energy: -59.856
where: short stacking energy: -29.303
Base-Backbone interact. energy: 0.418
local terms energy: -58.693737
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -10.464
flat angles P-C4'-P energy: -12.416
tors. eta vs tors. theta energy: -5.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -147.002988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.002988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.002988 (E_RNA)
where:
Base-Base interactions energy: -99.330
where: short stacking energy: -38.323
Base-Backbone interact. energy: -0.760
local terms energy: -46.912783
where:
bonds (distance) C4'-P energy: -15.494
bonds (distance) P-C4' energy: -11.900
flat angles C4'-P-C4' energy: -13.024
flat angles P-C4'-P energy: -5.368
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: 5, replica: 5
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -99.290098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.290098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.290098 (E_RNA)
where:
Base-Base interactions energy: -37.078
where: short stacking energy: -37.078
Base-Backbone interact. energy: -0.319
local terms energy: -61.894047
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -13.676
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -11.275
tors. eta vs tors. theta energy: -8.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -100.950837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.950837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.950837 (E_RNA)
where:
Base-Base interactions energy: -42.215
where: short stacking energy: -34.239
Base-Backbone interact. energy: 0.440
local terms energy: -59.175350
where:
bonds (distance) C4'-P energy: -15.882
bonds (distance) P-C4' energy: -16.097
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -6.560
tors. eta vs tors. theta energy: -4.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -84.372382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.372382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.372382 (E_RNA)
where:
Base-Base interactions energy: -32.934
where: short stacking energy: -32.934
Base-Backbone interact. energy: -0.158
local terms energy: -51.280090
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -12.094
flat angles C4'-P-C4' energy: -14.181
flat angles P-C4'-P energy: -6.067
tors. eta vs tors. theta energy: -5.932
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: 8, replica: 8
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -76.771840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.771840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.771840 (E_RNA)
where:
Base-Base interactions energy: -30.075
where: short stacking energy: -24.268
Base-Backbone interact. energy: 0.037
local terms energy: -46.733607
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -8.521
flat angles P-C4'-P energy: -8.381
tors. eta vs tors. theta energy: -2.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -82.278339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.278339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.278339 (E_RNA)
where:
Base-Base interactions energy: -33.182
where: short stacking energy: -18.300
Base-Backbone interact. energy: -0.190
local terms energy: -48.906486
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -17.383
flat angles C4'-P-C4' energy: -10.742
flat angles P-C4'-P energy: -7.918
tors. eta vs tors. theta energy: 1.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -83.171061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.171061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.171061 (E_RNA)
where:
Base-Base interactions energy: -29.872
where: short stacking energy: -24.893
Base-Backbone interact. energy: -0.020
local terms energy: -53.278664
where:
bonds (distance) C4'-P energy: -12.172
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -10.185
flat angles P-C4'-P energy: -8.948
tors. eta vs tors. theta energy: -5.458
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: 10
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -222.730297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.730297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.730297 (E_RNA)
where:
Base-Base interactions energy: -144.018
where: short stacking energy: -66.305
Base-Backbone interact. energy: -0.214
local terms energy: -78.498532
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -16.773
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: -17.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -180.268672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.268672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.268672 (E_RNA)
where:
Base-Base interactions energy: -110.497
where: short stacking energy: -60.333
Base-Backbone interact. energy: -0.003
local terms energy: -69.768048
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -17.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -152.073562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.073562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.073562 (E_RNA)
where:
Base-Base interactions energy: -85.914
where: short stacking energy: -49.863
Base-Backbone interact. energy: -0.399
local terms energy: -65.761263
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -12.587
flat angles P-C4'-P energy: -13.331
tors. eta vs tors. theta energy: -10.342
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: 4
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -173.501718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.501718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.501718 (E_RNA)
where:
Base-Base interactions energy: -109.263
where: short stacking energy: -48.145
Base-Backbone interact. energy: -0.112
local terms energy: -64.127477
where:
bonds (distance) C4'-P energy: -10.637
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -8.984
tors. eta vs tors. theta energy: -11.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -101.768740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.768740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.768740 (E_RNA)
where:
Base-Base interactions energy: -45.446
where: short stacking energy: -44.718
Base-Backbone interact. energy: -0.071
local terms energy: -56.251790
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -10.758
flat angles C4'-P-C4' energy: -15.521
flat angles P-C4'-P energy: -8.200
tors. eta vs tors. theta energy: -6.655
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: 2
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -93.773652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.773652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.773652 (E_RNA)
where:
Base-Base interactions energy: -37.620
where: short stacking energy: -34.703
Base-Backbone interact. energy: 1.739
local terms energy: -57.892521
where:
bonds (distance) C4'-P energy: -8.889
bonds (distance) P-C4' energy: -13.654
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -7.860
tors. eta vs tors. theta energy: -13.314
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: 7
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -94.685311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.685311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.685311 (E_RNA)
where:
Base-Base interactions energy: -40.763
where: short stacking energy: -38.787
Base-Backbone interact. energy: -0.117
local terms energy: -53.805412
where:
bonds (distance) C4'-P energy: -7.173
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -11.256
tors. eta vs tors. theta energy: -8.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -96.708842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.708842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.708842 (E_RNA)
where:
Base-Base interactions energy: -50.975
where: short stacking energy: -31.499
Base-Backbone interact. energy: -0.115
local terms energy: -45.619583
where:
bonds (distance) C4'-P energy: -8.046
bonds (distance) P-C4' energy: -13.145
flat angles C4'-P-C4' energy: -15.112
flat angles P-C4'-P energy: -6.511
tors. eta vs tors. theta energy: -2.806
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: 8
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -71.082175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.082175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.082175 (E_RNA)
where:
Base-Base interactions energy: -30.725
where: short stacking energy: -24.024
Base-Backbone interact. energy: -0.292
local terms energy: -40.064644
where:
bonds (distance) C4'-P energy: -7.242
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -9.537
flat angles P-C4'-P energy: -6.469
tors. eta vs tors. theta energy: -1.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -89.805081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.805081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.805081 (E_RNA)
where:
Base-Base interactions energy: -35.071
where: short stacking energy: -15.283
Base-Backbone interact. energy: -0.032
local terms energy: -54.702642
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -15.588
flat angles C4'-P-C4' energy: -13.338
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: -2.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -226.333365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.333365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.333365 (E_RNA)
where:
Base-Base interactions energy: -147.515
where: short stacking energy: -72.812
Base-Backbone interact. energy: -0.018
local terms energy: -78.800672
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -15.780
flat angles P-C4'-P energy: -13.022
tors. eta vs tors. theta energy: -19.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -175.836295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.836295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.836295 (E_RNA)
where:
Base-Base interactions energy: -101.410
where: short stacking energy: -57.550
Base-Backbone interact. energy: -0.373
local terms energy: -74.052963
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -15.838
flat angles P-C4'-P energy: -11.188
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: 3, replica: 4
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -171.936728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.936728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.936728 (E_RNA)
where:
Base-Base interactions energy: -108.124
where: short stacking energy: -47.725
Base-Backbone interact. energy: -0.219
local terms energy: -63.593839
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -11.705
flat angles C4'-P-C4' energy: -16.243
flat angles P-C4'-P energy: -9.604
tors. eta vs tors. theta energy: -11.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -152.548589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.548589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.548589 (E_RNA)
where:
Base-Base interactions energy: -92.806
where: short stacking energy: -64.236
Base-Backbone interact. energy: -0.096
local terms energy: -59.646398
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -10.835
flat angles C4'-P-C4' energy: -13.006
flat angles P-C4'-P energy: -6.708
tors. eta vs tors. theta energy: -13.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -107.767837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.767837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.767837 (E_RNA)
where:
Base-Base interactions energy: -58.673
where: short stacking energy: -38.359
Base-Backbone interact. energy: -0.756
local terms energy: -48.339358
where:
bonds (distance) C4'-P energy: -16.822
bonds (distance) P-C4' energy: -11.561
flat angles C4'-P-C4' energy: -11.164
flat angles P-C4'-P energy: -3.233
tors. eta vs tors. theta energy: -5.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -98.291490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.291490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.291490 (E_RNA)
where:
Base-Base interactions energy: -47.576
where: short stacking energy: -37.878
Base-Backbone interact. energy: 0.857
local terms energy: -51.572566
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -13.494
flat angles P-C4'-P energy: -4.369
tors. eta vs tors. theta energy: -3.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -93.365227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.365227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.365227 (E_RNA)
where:
Base-Base interactions energy: -37.095
where: short stacking energy: -32.910
Base-Backbone interact. energy: -0.014
local terms energy: -56.256342
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -3.405
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: 7
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -82.521112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.521112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.521112 (E_RNA)
where:
Base-Base interactions energy: -31.208
where: short stacking energy: -30.483
Base-Backbone interact. energy: -0.462
local terms energy: -50.851809
where:
bonds (distance) C4'-P energy: -10.337
bonds (distance) P-C4' energy: -14.369
flat angles C4'-P-C4' energy: -12.633
flat angles P-C4'-P energy: -5.750
tors. eta vs tors. theta energy: -7.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -83.007904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.007904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.007904 (E_RNA)
where:
Base-Base interactions energy: -43.051
where: short stacking energy: -13.975
Base-Backbone interact. energy: -1.340
local terms energy: -38.616555
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -13.112
flat angles C4'-P-C4' energy: -8.368
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: 6.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -84.233008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.233008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.233008 (E_RNA)
where:
Base-Base interactions energy: -41.520
where: short stacking energy: -26.098
Base-Backbone interact. energy: 0.016
local terms energy: -42.729294
where:
bonds (distance) C4'-P energy: -9.569
bonds (distance) P-C4' energy: -13.149
flat angles C4'-P-C4' energy: -16.540
flat angles P-C4'-P energy: -5.932
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: 10
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -214.498836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.498836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.498836 (E_RNA)
where:
Base-Base interactions energy: -139.418
where: short stacking energy: -66.661
Base-Backbone interact. energy: -0.081
local terms energy: -74.999444
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -13.277
tors. eta vs tors. theta energy: -14.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -181.806965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.806965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.806965 (E_RNA)
where:
Base-Base interactions energy: -106.843
where: short stacking energy: -67.498
Base-Backbone interact. energy: -0.000
local terms energy: -74.963735
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -16.857
flat angles C4'-P-C4' energy: -12.790
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -18.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -162.923792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.923792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.923792 (E_RNA)
where:
Base-Base interactions energy: -97.636
where: short stacking energy: -54.587
Base-Backbone interact. energy: -0.031
local terms energy: -65.256873
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -8.029
tors. eta vs tors. theta energy: -11.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -151.715073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.715073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.715073 (E_RNA)
where:
Base-Base interactions energy: -87.712
where: short stacking energy: -62.005
Base-Backbone interact. energy: -0.606
local terms energy: -63.397457
where:
bonds (distance) C4'-P energy: -11.600
bonds (distance) P-C4' energy: -13.644
flat angles C4'-P-C4' energy: -13.789
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -13.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -102.927360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.927360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.927360 (E_RNA)
where:
Base-Base interactions energy: -37.205
where: short stacking energy: -37.205
Base-Backbone interact. energy: -0.258
local terms energy: -65.464435
where:
bonds (distance) C4'-P energy: -15.244
bonds (distance) P-C4' energy: -14.415
flat angles C4'-P-C4' energy: -15.527
flat angles P-C4'-P energy: -9.777
tors. eta vs tors. theta energy: -10.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -98.150269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.150269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.150269 (E_RNA)
where:
Base-Base interactions energy: -34.393
where: short stacking energy: -34.393
Base-Backbone interact. energy: -0.115
local terms energy: -63.641920
where:
bonds (distance) C4'-P energy: -16.840
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -14.112
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -9.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -95.167287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.167287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.167287 (E_RNA)
where:
Base-Base interactions energy: -46.970
where: short stacking energy: -25.855
Base-Backbone interact. energy: 3.190
local terms energy: -51.387857
where:
bonds (distance) C4'-P energy: -11.391
bonds (distance) P-C4' energy: -15.655
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: -7.555
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: 8, replica: 7
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -93.282090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.282090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.282090 (E_RNA)
where:
Base-Base interactions energy: -43.641
where: short stacking energy: -21.925
Base-Backbone interact. energy: -0.305
local terms energy: -49.335332
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -11.603
flat angles C4'-P-C4' energy: -11.229
flat angles P-C4'-P energy: -12.036
tors. eta vs tors. theta energy: -1.848
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: 6
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -74.842437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.842437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.842437 (E_RNA)
where:
Base-Base interactions energy: -30.617
where: short stacking energy: -27.344
Base-Backbone interact. energy: -0.251
local terms energy: -43.973713
where:
bonds (distance) C4'-P energy: -8.845
bonds (distance) P-C4' energy: -10.062
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -1.019
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: 8
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -72.670056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.670056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.670056 (E_RNA)
where:
Base-Base interactions energy: -26.466
where: short stacking energy: -23.782
Base-Backbone interact. energy: -0.015
local terms energy: -46.189112
where:
bonds (distance) C4'-P energy: -12.545
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -11.293
flat angles P-C4'-P energy: -6.679
tors. eta vs tors. theta energy: 1.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -219.643623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.643623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.643623 (E_RNA)
where:
Base-Base interactions energy: -143.871
where: short stacking energy: -70.717
Base-Backbone interact. energy: -0.047
local terms energy: -75.726154
where:
bonds (distance) C4'-P energy: -12.961
bonds (distance) P-C4' energy: -16.261
flat angles C4'-P-C4' energy: -17.171
flat angles P-C4'-P energy: -9.623
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: 2, replica: 1
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -184.175677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.175677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.175677 (E_RNA)
where:
Base-Base interactions energy: -105.065
where: short stacking energy: -65.949
Base-Backbone interact. energy: -0.001
local terms energy: -79.109410
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -16.124
flat angles P-C4'-P energy: -11.616
tors. eta vs tors. theta energy: -22.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -190.273683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.273683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.273683 (E_RNA)
where:
Base-Base interactions energy: -113.758
where: short stacking energy: -54.568
Base-Backbone interact. energy: -0.019
local terms energy: -76.496828
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -17.176
flat angles C4'-P-C4' energy: -16.008
flat angles P-C4'-P energy: -12.458
tors. eta vs tors. theta energy: -18.036
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: 3
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -129.703887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.703887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.703887 (E_RNA)
where:
Base-Base interactions energy: -67.131
where: short stacking energy: -53.266
Base-Backbone interact. energy: -0.020
local terms energy: -62.553500
where:
bonds (distance) C4'-P energy: -14.369
bonds (distance) P-C4' energy: -15.565
flat angles C4'-P-C4' energy: -12.992
flat angles P-C4'-P energy: -4.055
tors. eta vs tors. theta energy: -15.572
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: 5, replica: 9
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -100.539512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.539512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.539512 (E_RNA)
where:
Base-Base interactions energy: -47.986
where: short stacking energy: -31.291
Base-Backbone interact. energy: -0.407
local terms energy: -52.146508
where:
bonds (distance) C4'-P energy: -11.937
bonds (distance) P-C4' energy: -13.567
flat angles C4'-P-C4' energy: -10.843
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: -5.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -115.374455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.374455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.374455 (E_RNA)
where:
Base-Base interactions energy: -54.859
where: short stacking energy: -37.371
Base-Backbone interact. energy: -0.263
local terms energy: -60.252437
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -14.729
flat angles C4'-P-C4' energy: -12.184
flat angles P-C4'-P energy: -9.087
tors. eta vs tors. theta energy: -9.669
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: 7
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -91.417959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.417959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.417959 (E_RNA)
where:
Base-Base interactions energy: -42.912
where: short stacking energy: -32.542
Base-Backbone interact. energy: -0.146
local terms energy: -48.360086
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -9.429
flat angles P-C4'-P energy: -5.887
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: 8, replica: 5
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -79.719388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.719388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.719388 (E_RNA)
where:
Base-Base interactions energy: -25.211
where: short stacking energy: -22.991
Base-Backbone interact. energy: -0.181
local terms energy: -54.326781
where:
bonds (distance) C4'-P energy: -11.351
bonds (distance) P-C4' energy: -11.240
flat angles C4'-P-C4' energy: -12.072
flat angles P-C4'-P energy: -13.050
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: 9, replica: 8
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -86.353151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.353151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.353151 (E_RNA)
where:
Base-Base interactions energy: -44.231
where: short stacking energy: -30.268
Base-Backbone interact. energy: -0.006
local terms energy: -42.116217
where:
bonds (distance) C4'-P energy: -6.347
bonds (distance) P-C4' energy: -14.497
flat angles C4'-P-C4' energy: -9.251
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: -2.241
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: 6
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -72.661211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.661211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.661211 (E_RNA)
where:
Base-Base interactions energy: -17.777
where: short stacking energy: -13.351
Base-Backbone interact. energy: -0.271
local terms energy: -54.612636
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -9.935
tors. eta vs tors. theta energy: -2.001
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: 10
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -225.247221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.247221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.247221 (E_RNA)
where:
Base-Base interactions energy: -151.478
where: short stacking energy: -71.490
Base-Backbone interact. energy: -0.018
local terms energy: -73.751565
where:
bonds (distance) C4'-P energy: -16.810
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -11.275
flat angles P-C4'-P energy: -12.205
tors. eta vs tors. theta energy: -20.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -217.688369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.688369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.688369 (E_RNA)
where:
Base-Base interactions energy: -140.548
where: short stacking energy: -65.017
Base-Backbone interact. energy: 0.169
local terms energy: -77.309901
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -15.981
flat angles C4'-P-C4' energy: -19.023
flat angles P-C4'-P energy: -12.752
tors. eta vs tors. theta energy: -16.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -173.107815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.107815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.107815 (E_RNA)
where:
Base-Base interactions energy: -113.000
where: short stacking energy: -71.473
Base-Backbone interact. energy: 1.566
local terms energy: -61.673358
where:
bonds (distance) C4'-P energy: -12.228
bonds (distance) P-C4' energy: -11.462
flat angles C4'-P-C4' energy: -12.287
flat angles P-C4'-P energy: -5.956
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: 9
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -111.607130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.607130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.607130 (E_RNA)
where:
Base-Base interactions energy: -51.852
where: short stacking energy: -36.658
Base-Backbone interact. energy: -0.053
local terms energy: -59.702349
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -15.845
flat angles C4'-P-C4' energy: -13.534
flat angles P-C4'-P energy: -10.131
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: 5, replica: 3
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -120.401271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.401271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.401271 (E_RNA)
where:
Base-Base interactions energy: -63.967
where: short stacking energy: -29.824
Base-Backbone interact. energy: 0.131
local terms energy: -56.565307
where:
bonds (distance) C4'-P energy: -13.230
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -10.726
flat angles P-C4'-P energy: -8.162
tors. eta vs tors. theta energy: -7.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -109.908652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.908652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.908652 (E_RNA)
where:
Base-Base interactions energy: -50.427
where: short stacking energy: -46.219
Base-Backbone interact. energy: 0.040
local terms energy: -59.521316
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -11.367
flat angles P-C4'-P energy: -9.655
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: 2
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -91.987114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.987114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.987114 (E_RNA)
where:
Base-Base interactions energy: -42.370
where: short stacking energy: -35.232
Base-Backbone interact. energy: -0.378
local terms energy: -49.239446
where:
bonds (distance) C4'-P energy: -11.572
bonds (distance) P-C4' energy: -12.534
flat angles C4'-P-C4' energy: -9.469
flat angles P-C4'-P energy: -11.514
tors. eta vs tors. theta energy: -4.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -85.566470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.566470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.566470 (E_RNA)
where:
Base-Base interactions energy: -37.573
where: short stacking energy: -18.000
Base-Backbone interact. energy: 0.366
local terms energy: -48.360245
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -11.398
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: 1.133
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: 9, replica: 5
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -81.034088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.034088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.034088 (E_RNA)
where:
Base-Base interactions energy: -32.066
where: short stacking energy: -28.920
Base-Backbone interact. energy: -0.141
local terms energy: -48.826842
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -9.852
flat angles P-C4'-P energy: -1.694
tors. eta vs tors. theta energy: -7.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -75.797502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.797502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.797502 (E_RNA)
where:
Base-Base interactions energy: -26.124
where: short stacking energy: -24.998
Base-Backbone interact. energy: -0.203
local terms energy: -49.471344
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -13.302
flat angles C4'-P-C4' energy: -11.104
flat angles P-C4'-P energy: -6.765
tors. eta vs tors. theta energy: -3.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -222.472084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.472084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.472084 (E_RNA)
where:
Base-Base interactions energy: -148.154
where: short stacking energy: -73.639
Base-Backbone interact. energy: -0.290
local terms energy: -74.027979
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -16.031
flat angles C4'-P-C4' energy: -15.634
flat angles P-C4'-P energy: -8.415
tors. eta vs tors. theta energy: -20.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -213.765520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.765520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.765520 (E_RNA)
where:
Base-Base interactions energy: -139.861
where: short stacking energy: -73.426
Base-Backbone interact. energy: -0.335
local terms energy: -73.569978
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -14.204
flat angles P-C4'-P energy: -11.794
tors. eta vs tors. theta energy: -17.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -171.890190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.890190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.890190 (E_RNA)
where:
Base-Base interactions energy: -106.201
where: short stacking energy: -56.064
Base-Backbone interact. energy: -0.084
local terms energy: -65.605010
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -13.434
flat angles C4'-P-C4' energy: -13.284
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -14.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -131.947932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.947932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.947932 (E_RNA)
where:
Base-Base interactions energy: -77.872
where: short stacking energy: -37.648
Base-Backbone interact. energy: -0.098
local terms energy: -53.977705
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -11.536
flat angles P-C4'-P energy: -3.933
tors. eta vs tors. theta energy: -9.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -118.503809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.503809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.503809 (E_RNA)
where:
Base-Base interactions energy: -57.021
where: short stacking energy: -41.105
Base-Backbone interact. energy: -0.087
local terms energy: -61.395873
where:
bonds (distance) C4'-P energy: -10.041
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -13.058
flat angles P-C4'-P energy: -9.934
tors. eta vs tors. theta energy: -10.431
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: 6, replica: 7
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -90.995176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.995176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.995176 (E_RNA)
where:
Base-Base interactions energy: -31.488
where: short stacking energy: -31.470
Base-Backbone interact. energy: -0.099
local terms energy: -59.408232
where:
bonds (distance) C4'-P energy: -12.498
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -15.467
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -6.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -93.139081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.139081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.139081 (E_RNA)
where:
Base-Base interactions energy: -38.704
where: short stacking energy: -38.704
Base-Backbone interact. energy: -0.074
local terms energy: -54.361444
where:
bonds (distance) C4'-P energy: -13.079
bonds (distance) P-C4' energy: -17.641
flat angles C4'-P-C4' energy: -12.859
flat angles P-C4'-P energy: -9.450
tors. eta vs tors. theta energy: -1.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -89.792430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.792430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.792430 (E_RNA)
where:
Base-Base interactions energy: -37.625
where: short stacking energy: -28.472
Base-Backbone interact. energy: 0.416
local terms energy: -52.582863
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -10.888
flat angles P-C4'-P energy: -9.443
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: 6
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -82.739740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.739740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.739740 (E_RNA)
where:
Base-Base interactions energy: -28.163
where: short stacking energy: -23.404
Base-Backbone interact. energy: -0.118
local terms energy: -54.458185
where:
bonds (distance) C4'-P energy: -10.189
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -17.464
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -2.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -95.789429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.789429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.789429 (E_RNA)
where:
Base-Base interactions energy: -42.587
where: short stacking energy: -42.587
Base-Backbone interact. energy: -0.005
local terms energy: -53.197517
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -12.325
flat angles P-C4'-P energy: -5.784
tors. eta vs tors. theta energy: -7.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -224.868267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.868267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.868267 (E_RNA)
where:
Base-Base interactions energy: -148.444
where: short stacking energy: -68.589
Base-Backbone interact. energy: -0.038
local terms energy: -76.385776
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -17.096
flat angles P-C4'-P energy: -7.810
tors. eta vs tors. theta energy: -18.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -224.365500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.365500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.365500 (E_RNA)
where:
Base-Base interactions energy: -141.648
where: short stacking energy: -67.405
Base-Backbone interact. energy: -0.188
local terms energy: -82.529579
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -18.923
flat angles P-C4'-P energy: -12.193
tors. eta vs tors. theta energy: -20.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -164.191067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.191067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.191067 (E_RNA)
where:
Base-Base interactions energy: -92.203
where: short stacking energy: -49.257
Base-Backbone interact. energy: -0.032
local terms energy: -71.956043
where:
bonds (distance) C4'-P energy: -16.010
bonds (distance) P-C4' energy: -14.607
flat angles C4'-P-C4' energy: -15.703
flat angles P-C4'-P energy: -11.331
tors. eta vs tors. theta energy: -14.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -118.850674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.850674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.850674 (E_RNA)
where:
Base-Base interactions energy: -51.621
where: short stacking energy: -49.599
Base-Backbone interact. energy: -0.082
local terms energy: -67.147664
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -11.657
flat angles P-C4'-P energy: -14.085
tors. eta vs tors. theta energy: -10.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -101.963629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.963629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.963629 (E_RNA)
where:
Base-Base interactions energy: -46.806
where: short stacking energy: -36.669
Base-Backbone interact. energy: 0.223
local terms energy: -55.380391
where:
bonds (distance) C4'-P energy: -18.689
bonds (distance) P-C4' energy: -12.501
flat angles C4'-P-C4' energy: -11.039
flat angles P-C4'-P energy: -6.513
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: 6, replica: 2
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -97.143419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.143419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.143419 (E_RNA)
where:
Base-Base interactions energy: -38.981
where: short stacking energy: -20.752
Base-Backbone interact. energy: -0.174
local terms energy: -57.988819
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -14.900
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -3.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -88.425607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.425607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.425607 (E_RNA)
where:
Base-Base interactions energy: -39.770
where: short stacking energy: -23.519
Base-Backbone interact. energy: -0.284
local terms energy: -48.371046
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -12.457
flat angles P-C4'-P energy: -7.962
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: 8, replica: 6
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -88.122596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.122596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.122596 (E_RNA)
where:
Base-Base interactions energy: -27.742
where: short stacking energy: -27.742
Base-Backbone interact. energy: -0.011
local terms energy: -60.369969
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -11.361
flat angles P-C4'-P energy: -10.515
tors. eta vs tors. theta energy: -7.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -71.102903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.102903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.102903 (E_RNA)
where:
Base-Base interactions energy: -22.539
where: short stacking energy: -22.539
Base-Backbone interact. energy: -0.113
local terms energy: -48.450822
where:
bonds (distance) C4'-P energy: -11.992
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -8.014
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: 10, replica: 5
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -68.729150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.729150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.729150 (E_RNA)
where:
Base-Base interactions energy: -23.369
where: short stacking energy: -23.369
Base-Backbone interact. energy: -0.186
local terms energy: -45.174482
where:
bonds (distance) C4'-P energy: -16.087
bonds (distance) P-C4' energy: -10.909
flat angles C4'-P-C4' energy: -12.596
flat angles P-C4'-P energy: -5.861
tors. eta vs tors. theta energy: 0.278
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: 10
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -224.254101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.254101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.254101 (E_RNA)
where:
Base-Base interactions energy: -142.741
where: short stacking energy: -68.698
Base-Backbone interact. energy: -0.025
local terms energy: -81.487676
where:
bonds (distance) C4'-P energy: -17.771
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -16.529
flat angles P-C4'-P energy: -11.922
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: 2, replica: 4
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -220.265469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.265469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.265469 (E_RNA)
where:
Base-Base interactions energy: -137.882
where: short stacking energy: -71.770
Base-Backbone interact. energy: -0.615
local terms energy: -81.768203
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -15.580
flat angles P-C4'-P energy: -12.318
tors. eta vs tors. theta energy: -19.470
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: 1
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -152.850986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.850986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.850986 (E_RNA)
where:
Base-Base interactions energy: -93.683
where: short stacking energy: -35.893
Base-Backbone interact. energy: -0.178
local terms energy: -58.989732
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -8.716
tors. eta vs tors. theta energy: -7.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -126.496093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.496093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.496093 (E_RNA)
where:
Base-Base interactions energy: -64.241
where: short stacking energy: -53.994
Base-Backbone interact. energy: -0.046
local terms energy: -62.208622
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -10.800
tors. eta vs tors. theta energy: -9.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -118.451451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.451451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.451451 (E_RNA)
where:
Base-Base interactions energy: -57.955
where: short stacking energy: -52.158
Base-Backbone interact. energy: -0.135
local terms energy: -60.360932
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -16.001
flat angles P-C4'-P energy: -4.237
tors. eta vs tors. theta energy: -12.670
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: 9
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -97.994985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.994985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.994985 (E_RNA)
where:
Base-Base interactions energy: -35.183
where: short stacking energy: -35.183
Base-Backbone interact. energy: -0.060
local terms energy: -62.752713
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -16.644
flat angles C4'-P-C4' energy: -12.876
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -11.972
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: 72
Temperature: 1.200000
Total energy: -93.546171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.546171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.546171 (E_RNA)
where:
Base-Base interactions energy: -36.153
where: short stacking energy: -36.153
Base-Backbone interact. energy: -0.077
local terms energy: -57.316251
where:
bonds (distance) C4'-P energy: -12.546
bonds (distance) P-C4' energy: -11.952
flat angles C4'-P-C4' energy: -13.809
flat angles P-C4'-P energy: -9.656
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: 8, replica: 7
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -105.959824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.959824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.959824 (E_RNA)
where:
Base-Base interactions energy: -46.402
where: short stacking energy: -46.402
Base-Backbone interact. energy: -0.051
local terms energy: -59.506036
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -14.960
flat angles C4'-P-C4' energy: -14.865
flat angles P-C4'-P energy: -6.401
tors. eta vs tors. theta energy: -9.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -74.086287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.086287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.086287 (E_RNA)
where:
Base-Base interactions energy: -35.487
where: short stacking energy: -16.680
Base-Backbone interact. energy: -0.348
local terms energy: -38.251743
where:
bonds (distance) C4'-P energy: -9.287
bonds (distance) P-C4' energy: -15.893
flat angles C4'-P-C4' energy: -7.646
flat angles P-C4'-P energy: -7.672
tors. eta vs tors. theta energy: 2.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -82.351259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.351259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.351259 (E_RNA)
where:
Base-Base interactions energy: -30.193
where: short stacking energy: -30.193
Base-Backbone interact. energy: -0.102
local terms energy: -52.055819
where:
bonds (distance) C4'-P energy: -7.598
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -13.822
flat angles P-C4'-P energy: -10.964
tors. eta vs tors. theta energy: -3.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -213.946166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.946166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.946166 (E_RNA)
where:
Base-Base interactions energy: -136.696
where: short stacking energy: -68.677
Base-Backbone interact. energy: -0.004
local terms energy: -77.246041
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -16.882
flat angles P-C4'-P energy: -11.319
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: 2, replica: 4
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -211.353951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.353951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.353951 (E_RNA)
where:
Base-Base interactions energy: -138.282
where: short stacking energy: -76.078
Base-Backbone interact. energy: -0.000
local terms energy: -73.071673
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -15.271
flat angles P-C4'-P energy: -8.462
tors. eta vs tors. theta energy: -21.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -169.599151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.599151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.599151 (E_RNA)
where:
Base-Base interactions energy: -97.101
where: short stacking energy: -52.973
Base-Backbone interact. energy: -0.161
local terms energy: -72.337025
where:
bonds (distance) C4'-P energy: -15.040
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -12.200
tors. eta vs tors. theta energy: -14.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -132.249294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.249294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.249294 (E_RNA)
where:
Base-Base interactions energy: -68.094
where: short stacking energy: -46.191
Base-Backbone interact. energy: -0.013
local terms energy: -64.142183
where:
bonds (distance) C4'-P energy: -12.198
bonds (distance) P-C4' energy: -13.656
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: -8.314
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: 5, replica: 2
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -100.220517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.220517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.220517 (E_RNA)
where:
Base-Base interactions energy: -45.428
where: short stacking energy: -39.756
Base-Backbone interact. energy: -0.037
local terms energy: -54.755992
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -11.358
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: -5.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -102.482564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.482564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.482564 (E_RNA)
where:
Base-Base interactions energy: -42.839
where: short stacking energy: -30.211
Base-Backbone interact. energy: -0.031
local terms energy: -59.612798
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -15.440
flat angles C4'-P-C4' energy: -17.059
flat angles P-C4'-P energy: -12.550
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: 7, replica: 6
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -94.267690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.267690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.267690 (E_RNA)
where:
Base-Base interactions energy: -33.105
where: short stacking energy: -32.891
Base-Backbone interact. energy: -0.077
local terms energy: -61.086089
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -10.882
flat angles P-C4'-P energy: -10.973
tors. eta vs tors. theta energy: -8.017
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: 5
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -88.600375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.600375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.600375 (E_RNA)
where:
Base-Base interactions energy: -38.286
where: short stacking energy: -19.770
Base-Backbone interact. energy: -0.226
local terms energy: -50.088988
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -10.867
flat angles C4'-P-C4' energy: -12.946
flat angles P-C4'-P energy: -6.911
tors. eta vs tors. theta energy: -5.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -82.367714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.367714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.367714 (E_RNA)
where:
Base-Base interactions energy: -36.002
where: short stacking energy: -28.882
Base-Backbone interact. energy: 0.545
local terms energy: -46.910649
where:
bonds (distance) C4'-P energy: -11.487
bonds (distance) P-C4' energy: -18.626
flat angles C4'-P-C4' energy: -11.356
flat angles P-C4'-P energy: -1.340
tors. eta vs tors. theta energy: -4.102
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: 8
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -85.147160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.147160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.147160 (E_RNA)
where:
Base-Base interactions energy: -38.628
where: short stacking energy: -38.106
Base-Backbone interact. energy: 1.175
local terms energy: -47.694808
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -9.421
flat angles C4'-P-C4' energy: -10.053
flat angles P-C4'-P energy: -3.530
tors. eta vs tors. theta energy: -11.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -218.555471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.555471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.555471 (E_RNA)
where:
Base-Base interactions energy: -147.755
where: short stacking energy: -61.923
Base-Backbone interact. energy: -0.184
local terms energy: -70.617163
where:
bonds (distance) C4'-P energy: -17.159
bonds (distance) P-C4' energy: -11.322
flat angles C4'-P-C4' energy: -15.440
flat angles P-C4'-P energy: -9.286
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: 2, replica: 10
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -208.869522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.869522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.869522 (E_RNA)
where:
Base-Base interactions energy: -133.060
where: short stacking energy: -64.341
Base-Backbone interact. energy: -0.008
local terms energy: -75.801192
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -12.232
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -12.043
tors. eta vs tors. theta energy: -22.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -171.087017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.087017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.087017 (E_RNA)
where:
Base-Base interactions energy: -108.126
where: short stacking energy: -61.532
Base-Backbone interact. energy: -0.509
local terms energy: -62.452550
where:
bonds (distance) C4'-P energy: -12.198
bonds (distance) P-C4' energy: -11.220
flat angles C4'-P-C4' energy: -16.014
flat angles P-C4'-P energy: -7.183
tors. eta vs tors. theta energy: -15.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -118.531807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.531807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.531807 (E_RNA)
where:
Base-Base interactions energy: -55.299
where: short stacking energy: -40.377
Base-Backbone interact. energy: -0.064
local terms energy: -63.168655
where:
bonds (distance) C4'-P energy: -14.478
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -9.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -120.857119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.857119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.857119 (E_RNA)
where:
Base-Base interactions energy: -67.690
where: short stacking energy: -39.047
Base-Backbone interact. energy: -0.481
local terms energy: -52.686889
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -9.384
flat angles C4'-P-C4' energy: -11.764
flat angles P-C4'-P energy: -12.407
tors. eta vs tors. theta energy: -4.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -106.738304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.738304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.738304 (E_RNA)
where:
Base-Base interactions energy: -59.648
where: short stacking energy: -40.050
Base-Backbone interact. energy: -0.064
local terms energy: -47.027080
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -13.208
flat angles C4'-P-C4' energy: -9.775
flat angles P-C4'-P energy: -1.832
tors. eta vs tors. theta energy: -7.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -85.125050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.125050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.125050 (E_RNA)
where:
Base-Base interactions energy: -34.887
where: short stacking energy: -33.926
Base-Backbone interact. energy: -0.147
local terms energy: -50.090708
where:
bonds (distance) C4'-P energy: -12.069
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -12.538
flat angles P-C4'-P energy: -11.723
tors. eta vs tors. theta energy: 1.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -84.949184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.949184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.949184 (E_RNA)
where:
Base-Base interactions energy: -42.877
where: short stacking energy: -39.457
Base-Backbone interact. energy: 0.402
local terms energy: -42.473606
where:
bonds (distance) C4'-P energy: -10.174
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -6.439
flat angles P-C4'-P energy: -9.165
tors. eta vs tors. theta energy: -4.483
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: 7
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -70.882633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.882633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.882633 (E_RNA)
where:
Base-Base interactions energy: -28.915
where: short stacking energy: -20.553
Base-Backbone interact. energy: -0.061
local terms energy: -41.905895
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -12.103
flat angles C4'-P-C4' energy: -5.643
flat angles P-C4'-P energy: -8.797
tors. eta vs tors. theta energy: -2.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -72.489857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.489857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.489857 (E_RNA)
where:
Base-Base interactions energy: -30.606
where: short stacking energy: -27.290
Base-Backbone interact. energy: -0.059
local terms energy: -41.824955
where:
bonds (distance) C4'-P energy: -9.892
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -13.349
flat angles P-C4'-P energy: -2.992
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: 1, replica: 4
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -217.473138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.473138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.473138 (E_RNA)
where:
Base-Base interactions energy: -141.298
where: short stacking energy: -70.670
Base-Backbone interact. energy: -0.131
local terms energy: -76.044754
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -16.957
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -21.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -212.325428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.325428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.325428 (E_RNA)
where:
Base-Base interactions energy: -137.218
where: short stacking energy: -59.017
Base-Backbone interact. energy: 0.460
local terms energy: -75.566986
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -14.776
flat angles P-C4'-P energy: -14.192
tors. eta vs tors. theta energy: -13.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -166.708209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.708209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.708209 (E_RNA)
where:
Base-Base interactions energy: -107.170
where: short stacking energy: -46.845
Base-Backbone interact. energy: -0.090
local terms energy: -59.448167
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -12.106
flat angles C4'-P-C4' energy: -13.031
flat angles P-C4'-P energy: -7.198
tors. eta vs tors. theta energy: -14.672
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: 2
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -175.222106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.222106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.222106 (E_RNA)
where:
Base-Base interactions energy: -107.435
where: short stacking energy: -56.315
Base-Backbone interact. energy: 0.038
local terms energy: -67.825280
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -13.023
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -14.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -117.130445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.130445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.130445 (E_RNA)
where:
Base-Base interactions energy: -53.032
where: short stacking energy: -45.411
Base-Backbone interact. energy: -1.082
local terms energy: -63.017151
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -18.367
flat angles P-C4'-P energy: -4.418
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: 6, replica: 9
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -96.232715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.232715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.232715 (E_RNA)
where:
Base-Base interactions energy: -45.478
where: short stacking energy: -30.053
Base-Backbone interact. energy: 2.942
local terms energy: -53.696563
where:
bonds (distance) C4'-P energy: -11.522
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -13.755
flat angles P-C4'-P energy: -6.390
tors. eta vs tors. theta energy: -6.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -89.380918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.380918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.380918 (E_RNA)
where:
Base-Base interactions energy: -31.067
where: short stacking energy: -31.067
Base-Backbone interact. energy: -0.061
local terms energy: -58.252173
where:
bonds (distance) C4'-P energy: -15.811
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -13.505
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -3.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -84.103916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.103916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.103916 (E_RNA)
where:
Base-Base interactions energy: -39.837
where: short stacking energy: -23.036
Base-Backbone interact. energy: -0.072
local terms energy: -44.194902
where:
bonds (distance) C4'-P energy: -11.662
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -9.490
flat angles P-C4'-P energy: -7.787
tors. eta vs tors. theta energy: 1.690
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: 9, replica: 7
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -92.605901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.605901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.605901 (E_RNA)
where:
Base-Base interactions energy: -34.176
where: short stacking energy: -31.676
Base-Backbone interact. energy: 0.368
local terms energy: -58.797975
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -7.797
flat angles P-C4'-P energy: -13.369
tors. eta vs tors. theta energy: -7.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -78.138666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.138666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.138666 (E_RNA)
where:
Base-Base interactions energy: -24.717
where: short stacking energy: -18.723
Base-Backbone interact. energy: -0.105
local terms energy: -53.316616
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -15.196
flat angles C4'-P-C4' energy: -14.176
flat angles P-C4'-P energy: -9.310
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: 1, replica: 4
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -222.026491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.026491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.026491 (E_RNA)
where:
Base-Base interactions energy: -135.992
where: short stacking energy: -73.298
Base-Backbone interact. energy: -0.017
local terms energy: -86.017252
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -17.773
flat angles P-C4'-P energy: -12.111
tors. eta vs tors. theta energy: -23.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -209.218037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.218037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.218037 (E_RNA)
where:
Base-Base interactions energy: -141.657
where: short stacking energy: -63.283
Base-Backbone interact. energy: -0.266
local terms energy: -67.295435
where:
bonds (distance) C4'-P energy: -10.751
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -16.037
flat angles P-C4'-P energy: -7.931
tors. eta vs tors. theta energy: -18.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -192.370067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.370067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.370067 (E_RNA)
where:
Base-Base interactions energy: -120.070
where: short stacking energy: -59.370
Base-Backbone interact. energy: -0.002
local terms energy: -72.298385
where:
bonds (distance) C4'-P energy: -16.253
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -16.453
flat angles P-C4'-P energy: -11.511
tors. eta vs tors. theta energy: -12.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -165.370924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.370924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.370924 (E_RNA)
where:
Base-Base interactions energy: -96.204
where: short stacking energy: -49.518
Base-Backbone interact. energy: -0.059
local terms energy: -69.108109
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -10.664
tors. eta vs tors. theta energy: -12.306
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: 3
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -104.174470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.174470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.174470 (E_RNA)
where:
Base-Base interactions energy: -42.225
where: short stacking energy: -29.652
Base-Backbone interact. energy: -0.044
local terms energy: -61.906055
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -9.701
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: 6, replica: 9
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -155.933865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.933865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.933865 (E_RNA)
where:
Base-Base interactions energy: -95.602
where: short stacking energy: -54.825
Base-Backbone interact. energy: -0.034
local terms energy: -60.298304
where:
bonds (distance) C4'-P energy: -12.692
bonds (distance) P-C4' energy: -11.869
flat angles C4'-P-C4' energy: -12.003
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -13.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -92.914036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.914036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.914036 (E_RNA)
where:
Base-Base interactions energy: -33.410
where: short stacking energy: -33.410
Base-Backbone interact. energy: -0.038
local terms energy: -59.465619
where:
bonds (distance) C4'-P energy: -9.932
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -11.273
tors. eta vs tors. theta energy: -7.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -76.294483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.294483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.294483 (E_RNA)
where:
Base-Base interactions energy: -29.139
where: short stacking energy: -29.139
Base-Backbone interact. energy: -0.087
local terms energy: -47.068903
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -13.613
flat angles C4'-P-C4' energy: -10.431
flat angles P-C4'-P energy: -9.982
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: 9, replica: 8
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -80.148153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.148153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.148153 (E_RNA)
where:
Base-Base interactions energy: -30.823
where: short stacking energy: -30.702
Base-Backbone interact. energy: -0.892
local terms energy: -48.432716
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -13.410
flat angles C4'-P-C4' energy: -9.779
flat angles P-C4'-P energy: -7.939
tors. eta vs tors. theta energy: -2.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -74.566861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.566861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.566861 (E_RNA)
where:
Base-Base interactions energy: -36.263
where: short stacking energy: -25.209
Base-Backbone interact. energy: 1.273
local terms energy: -39.576296
where:
bonds (distance) C4'-P energy: -9.355
bonds (distance) P-C4' energy: -12.510
flat angles C4'-P-C4' energy: -7.063
flat angles P-C4'-P energy: -10.220
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: 1, replica: 4
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -223.804254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.804254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.804254 (E_RNA)
where:
Base-Base interactions energy: -146.446
where: short stacking energy: -72.298
Base-Backbone interact. energy: 1.608
local terms energy: -78.965897
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -17.381
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -11.582
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: 2, replica: 2
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -212.403191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.403191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.403191 (E_RNA)
where:
Base-Base interactions energy: -139.567
where: short stacking energy: -70.944
Base-Backbone interact. energy: -0.092
local terms energy: -72.744260
where:
bonds (distance) C4'-P energy: -14.081
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -16.180
flat angles P-C4'-P energy: -8.210
tors. eta vs tors. theta energy: -19.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -218.971327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.971327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.971327 (E_RNA)
where:
Base-Base interactions energy: -136.630
where: short stacking energy: -70.598
Base-Backbone interact. energy: -0.330
local terms energy: -82.011504
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -15.575
flat angles C4'-P-C4' energy: -16.574
flat angles P-C4'-P energy: -12.783
tors. eta vs tors. theta energy: -21.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -163.936132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.936132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.936132 (E_RNA)
where:
Base-Base interactions energy: -94.667
where: short stacking energy: -47.932
Base-Backbone interact. energy: 0.069
local terms energy: -69.338804
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -16.006
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: -13.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -108.742468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.742468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.742468 (E_RNA)
where:
Base-Base interactions energy: -48.048
where: short stacking energy: -33.965
Base-Backbone interact. energy: -0.143
local terms energy: -60.551600
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -9.385
tors. eta vs tors. theta energy: -7.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -149.081040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.081040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.081040 (E_RNA)
where:
Base-Base interactions energy: -90.930
where: short stacking energy: -50.167
Base-Backbone interact. energy: -0.112
local terms energy: -58.038456
where:
bonds (distance) C4'-P energy: -10.553
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: -10.272
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: 6
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -114.901827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.901827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.901827 (E_RNA)
where:
Base-Base interactions energy: -66.784
where: short stacking energy: -33.110
Base-Backbone interact. energy: 0.113
local terms energy: -48.230212
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -14.182
flat angles C4'-P-C4' energy: -15.249
flat angles P-C4'-P energy: -3.642
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: 8, replica: 8
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -86.397052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.397052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.397052 (E_RNA)
where:
Base-Base interactions energy: -40.130
where: short stacking energy: -24.504
Base-Backbone interact. energy: -0.238
local terms energy: -46.029182
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -9.431
flat angles C4'-P-C4' energy: -11.601
flat angles P-C4'-P energy: -11.090
tors. eta vs tors. theta energy: -0.952
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: 5
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -75.402690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.402690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.402690 (E_RNA)
where:
Base-Base interactions energy: -23.095
where: short stacking energy: -22.584
Base-Backbone interact. energy: -0.060
local terms energy: -52.247278
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -11.623
flat angles C4'-P-C4' energy: -11.553
flat angles P-C4'-P energy: -9.721
tors. eta vs tors. theta energy: -5.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -79.626549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.626549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.626549 (E_RNA)
where:
Base-Base interactions energy: -38.684
where: short stacking energy: -18.532
Base-Backbone interact. energy: -0.031
local terms energy: -40.912097
where:
bonds (distance) C4'-P energy: -13.562
bonds (distance) P-C4' energy: -12.449
flat angles C4'-P-C4' energy: -13.651
flat angles P-C4'-P energy: -4.782
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: 2
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -218.540385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.540385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.540385 (E_RNA)
where:
Base-Base interactions energy: -141.196
where: short stacking energy: -71.910
Base-Backbone interact. energy: -0.003
local terms energy: -77.341800
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -17.413
flat angles P-C4'-P energy: -11.747
tors. eta vs tors. theta energy: -17.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -213.723580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.723580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.723580 (E_RNA)
where:
Base-Base interactions energy: -134.705
where: short stacking energy: -65.113
Base-Backbone interact. energy: -0.806
local terms energy: -78.212692
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -13.524
flat angles C4'-P-C4' energy: -17.895
flat angles P-C4'-P energy: -14.173
tors. eta vs tors. theta energy: -18.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -210.741968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.741968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.741968 (E_RNA)
where:
Base-Base interactions energy: -131.925
where: short stacking energy: -73.291
Base-Backbone interact. energy: -0.092
local terms energy: -78.724263
where:
bonds (distance) C4'-P energy: -17.932
bonds (distance) P-C4' energy: -15.807
flat angles C4'-P-C4' energy: -15.515
flat angles P-C4'-P energy: -11.375
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: 4, replica: 1
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -168.992021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.992021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.992021 (E_RNA)
where:
Base-Base interactions energy: -95.814
where: short stacking energy: -62.266
Base-Backbone interact. energy: 0.142
local terms energy: -73.320011
where:
bonds (distance) C4'-P energy: -14.116
bonds (distance) P-C4' energy: -15.846
flat angles C4'-P-C4' energy: -13.729
flat angles P-C4'-P energy: -10.048
tors. eta vs tors. theta energy: -19.580
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: 9
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -160.734472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.734472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.734472 (E_RNA)
where:
Base-Base interactions energy: -92.686
where: short stacking energy: -52.242
Base-Backbone interact. energy: -0.176
local terms energy: -67.872460
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -14.858
flat angles C4'-P-C4' energy: -16.120
flat angles P-C4'-P energy: -9.452
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: 6, replica: 3
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -100.520209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.520209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.520209 (E_RNA)
where:
Base-Base interactions energy: -35.854
where: short stacking energy: -34.361
Base-Backbone interact. energy: -0.102
local terms energy: -64.564786
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -17.827
flat angles C4'-P-C4' energy: -11.753
flat angles P-C4'-P energy: -9.831
tors. eta vs tors. theta energy: -10.032
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: 6
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -116.873159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.873159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.873159 (E_RNA)
where:
Base-Base interactions energy: -69.245
where: short stacking energy: -31.978
Base-Backbone interact. energy: -0.275
local terms energy: -47.353511
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -10.763
flat angles C4'-P-C4' energy: -9.393
flat angles P-C4'-P energy: -9.664
tors. eta vs tors. theta energy: -2.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -82.029370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.029370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.029370 (E_RNA)
where:
Base-Base interactions energy: -37.400
where: short stacking energy: -31.051
Base-Backbone interact. energy: -0.476
local terms energy: -44.153766
where:
bonds (distance) C4'-P energy: -9.739
bonds (distance) P-C4' energy: -11.356
flat angles C4'-P-C4' energy: -13.113
flat angles P-C4'-P energy: -7.464
tors. eta vs tors. theta energy: -2.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -99.181674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.181674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.181674 (E_RNA)
where:
Base-Base interactions energy: -42.781
where: short stacking energy: -37.572
Base-Backbone interact. energy: 0.513
local terms energy: -56.913174
where:
bonds (distance) C4'-P energy: -10.687
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -10.514
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: 7
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -81.918794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.918794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.918794 (E_RNA)
where:
Base-Base interactions energy: -33.945
where: short stacking energy: -32.362
Base-Backbone interact. energy: -0.313
local terms energy: -47.660232
where:
bonds (distance) C4'-P energy: -14.590
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -4.120
flat angles P-C4'-P energy: -4.784
tors. eta vs tors. theta energy: -9.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -220.441087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.441087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.441087 (E_RNA)
where:
Base-Base interactions energy: -137.218
where: short stacking energy: -77.221
Base-Backbone interact. energy: -0.010
local terms energy: -83.212941
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -17.648
flat angles P-C4'-P energy: -13.249
tors. eta vs tors. theta energy: -22.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -206.982633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.982633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.982633 (E_RNA)
where:
Base-Base interactions energy: -134.911
where: short stacking energy: -61.434
Base-Backbone interact. energy: -0.084
local terms energy: -71.987182
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -13.202
flat angles P-C4'-P energy: -8.416
tors. eta vs tors. theta energy: -19.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -197.005783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.005783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.005783 (E_RNA)
where:
Base-Base interactions energy: -138.895
where: short stacking energy: -57.827
Base-Backbone interact. energy: -0.188
local terms energy: -57.922288
where:
bonds (distance) C4'-P energy: -11.299
bonds (distance) P-C4' energy: -9.007
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -8.602
tors. eta vs tors. theta energy: -13.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -160.702703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.702703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.702703 (E_RNA)
where:
Base-Base interactions energy: -93.986
where: short stacking energy: -54.831
Base-Backbone interact. energy: -0.696
local terms energy: -66.019963
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -6.992
tors. eta vs tors. theta energy: -12.010
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: 1
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -163.222730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.222730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.222730 (E_RNA)
where:
Base-Base interactions energy: -96.673
where: short stacking energy: -55.427
Base-Backbone interact. energy: -0.003
local terms energy: -66.546771
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -12.285
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -8.876
tors. eta vs tors. theta energy: -18.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -149.310545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.310545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.310545 (E_RNA)
where:
Base-Base interactions energy: -88.169
where: short stacking energy: -33.511
Base-Backbone interact. energy: -0.585
local terms energy: -60.556142
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -8.496
tors. eta vs tors. theta energy: -7.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -90.533636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.533636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.533636 (E_RNA)
where:
Base-Base interactions energy: -38.593
where: short stacking energy: -30.094
Base-Backbone interact. energy: 0.471
local terms energy: -52.411568
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -15.845
flat angles C4'-P-C4' energy: -10.142
flat angles P-C4'-P energy: -8.965
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: 8, replica: 5
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -88.500903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.500903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.500903 (E_RNA)
where:
Base-Base interactions energy: -46.277
where: short stacking energy: -34.961
Base-Backbone interact. energy: -0.187
local terms energy: -42.037481
where:
bonds (distance) C4'-P energy: -17.183
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -1.231
flat angles P-C4'-P energy: -5.533
tors. eta vs tors. theta energy: -3.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -80.296177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.296177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.296177 (E_RNA)
where:
Base-Base interactions energy: -26.274
where: short stacking energy: -21.380
Base-Backbone interact. energy: -0.113
local terms energy: -53.909421
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -11.325
flat angles C4'-P-C4' energy: -13.422
flat angles P-C4'-P energy: -12.849
tors. eta vs tors. theta energy: -2.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -68.092056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.092056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.092056 (E_RNA)
where:
Base-Base interactions energy: -22.937
where: short stacking energy: -14.721
Base-Backbone interact. energy: -0.228
local terms energy: -44.926478
where:
bonds (distance) C4'-P energy: -10.691
bonds (distance) P-C4' energy: -11.336
flat angles C4'-P-C4' energy: -14.495
flat angles P-C4'-P energy: -6.350
tors. eta vs tors. theta energy: -2.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -216.573089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.573089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.573089 (E_RNA)
where:
Base-Base interactions energy: -143.906
where: short stacking energy: -64.151
Base-Backbone interact. energy: -0.140
local terms energy: -72.527402
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -12.734
flat angles C4'-P-C4' energy: -16.882
flat angles P-C4'-P energy: -10.840
tors. eta vs tors. theta energy: -16.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -211.007799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.007799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.007799 (E_RNA)
where:
Base-Base interactions energy: -134.943
where: short stacking energy: -68.950
Base-Backbone interact. energy: -0.265
local terms energy: -75.799599
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -13.170
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -11.460
tors. eta vs tors. theta energy: -21.543
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: 4
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -206.411316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.411316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.411316 (E_RNA)
where:
Base-Base interactions energy: -135.137
where: short stacking energy: -70.760
Base-Backbone interact. energy: -0.014
local terms energy: -71.260791
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -15.472
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -15.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -176.065852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.065852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.065852 (E_RNA)
where:
Base-Base interactions energy: -106.285
where: short stacking energy: -66.891
Base-Backbone interact. energy: -0.001
local terms energy: -69.779810
where:
bonds (distance) C4'-P energy: -9.218
bonds (distance) P-C4' energy: -16.076
flat angles C4'-P-C4' energy: -16.883
flat angles P-C4'-P energy: -11.474
tors. eta vs tors. theta energy: -16.129
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: 6
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -167.930057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.930057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.930057 (E_RNA)
where:
Base-Base interactions energy: -100.280
where: short stacking energy: -37.018
Base-Backbone interact. energy: -1.605
local terms energy: -66.044488
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -17.139
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: -8.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -168.396279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.396279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.396279 (E_RNA)
where:
Base-Base interactions energy: -106.752
where: short stacking energy: -40.577
Base-Backbone interact. energy: 0.889
local terms energy: -62.533384
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -10.711
flat angles C4'-P-C4' energy: -9.972
flat angles P-C4'-P energy: -12.661
tors. eta vs tors. theta energy: -13.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -114.043954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.043954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.043954 (E_RNA)
where:
Base-Base interactions energy: -45.919
where: short stacking energy: -45.919
Base-Backbone interact. energy: -0.011
local terms energy: -68.113429
where:
bonds (distance) C4'-P energy: -12.722
bonds (distance) P-C4' energy: -13.229
flat angles C4'-P-C4' energy: -16.950
flat angles P-C4'-P energy: -9.409
tors. eta vs tors. theta energy: -15.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -83.384382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.384382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.384382 (E_RNA)
where:
Base-Base interactions energy: -31.328
where: short stacking energy: -31.328
Base-Backbone interact. energy: -0.158
local terms energy: -51.898982
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -16.113
flat angles P-C4'-P energy: -4.830
tors. eta vs tors. theta energy: 0.770
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: 9, replica: 7
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -82.524025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.524025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.524025 (E_RNA)
where:
Base-Base interactions energy: -28.934
where: short stacking energy: -28.934
Base-Backbone interact. energy: -0.050
local terms energy: -53.539940
where:
bonds (distance) C4'-P energy: -12.930
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -7.729
tors. eta vs tors. theta energy: -2.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -75.090149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.090149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.090149 (E_RNA)
where:
Base-Base interactions energy: -26.600
where: short stacking energy: -23.728
Base-Backbone interact. energy: -0.016
local terms energy: -48.473678
where:
bonds (distance) C4'-P energy: -5.625
bonds (distance) P-C4' energy: -15.474
flat angles C4'-P-C4' energy: -13.547
flat angles P-C4'-P energy: -8.715
tors. eta vs tors. theta energy: -5.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -210.671204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.671204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.671204 (E_RNA)
where:
Base-Base interactions energy: -136.683
where: short stacking energy: -63.087
Base-Backbone interact. energy: -0.287
local terms energy: -73.701633
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -15.317
flat angles C4'-P-C4' energy: -16.784
flat angles P-C4'-P energy: -11.805
tors. eta vs tors. theta energy: -14.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -218.181803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.181803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.181803 (E_RNA)
where:
Base-Base interactions energy: -139.037
where: short stacking energy: -74.238
Base-Backbone interact. energy: -0.001
local terms energy: -79.143729
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -14.412
flat angles P-C4'-P energy: -12.578
tors. eta vs tors. theta energy: -20.944
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: 81
Temperature: 1.000000
Total energy: -210.985338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.985338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.985338 (E_RNA)
where:
Base-Base interactions energy: -134.842
where: short stacking energy: -71.536
Base-Backbone interact. energy: -0.983
local terms energy: -75.160723
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -13.086
flat angles C4'-P-C4' energy: -15.586
flat angles P-C4'-P energy: -13.229
tors. eta vs tors. theta energy: -18.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -183.493752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.493752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.493752 (E_RNA)
where:
Base-Base interactions energy: -112.286
where: short stacking energy: -54.538
Base-Backbone interact. energy: -0.571
local terms energy: -70.636470
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -14.013
flat angles P-C4'-P energy: -12.876
tors. eta vs tors. theta energy: -12.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -152.618162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.618162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.618162 (E_RNA)
where:
Base-Base interactions energy: -89.772
where: short stacking energy: -63.374
Base-Backbone interact. energy: -0.698
local terms energy: -62.148097
where:
bonds (distance) C4'-P energy: -11.638
bonds (distance) P-C4' energy: -11.347
flat angles C4'-P-C4' energy: -13.843
flat angles P-C4'-P energy: -8.600
tors. eta vs tors. theta energy: -16.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -181.594444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.594444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.594444 (E_RNA)
where:
Base-Base interactions energy: -126.461
where: short stacking energy: -52.787
Base-Backbone interact. energy: -0.075
local terms energy: -55.058169
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -13.262
flat angles C4'-P-C4' energy: -8.552
flat angles P-C4'-P energy: -5.112
tors. eta vs tors. theta energy: -12.829
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: 7, replica: 5
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -88.151710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.151710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.151710 (E_RNA)
where:
Base-Base interactions energy: -31.137
where: short stacking energy: -31.137
Base-Backbone interact. energy: 0.892
local terms energy: -57.906371
where:
bonds (distance) C4'-P energy: -17.762
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -12.832
flat angles P-C4'-P energy: -6.883
tors. eta vs tors. theta energy: -5.168
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: 7
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -89.010987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.010987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.010987 (E_RNA)
where:
Base-Base interactions energy: -37.981
where: short stacking energy: -29.027
Base-Backbone interact. energy: -0.048
local terms energy: -50.982173
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -5.481
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -11.154
tors. eta vs tors. theta energy: -9.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -78.600057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.600057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.600057 (E_RNA)
where:
Base-Base interactions energy: -23.511
where: short stacking energy: -18.509
Base-Backbone interact. energy: -0.682
local terms energy: -54.406520
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -12.394
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -0.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -71.947260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.947260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.947260 (E_RNA)
where:
Base-Base interactions energy: -33.681
where: short stacking energy: -23.620
Base-Backbone interact. energy: -0.400
local terms energy: -37.866794
where:
bonds (distance) C4'-P energy: -10.936
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -6.837
flat angles P-C4'-P energy: -7.172
tors. eta vs tors. theta energy: 0.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -228.731819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.731819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.731819 (E_RNA)
where:
Base-Base interactions energy: -145.750
where: short stacking energy: -69.447
Base-Backbone interact. energy: -0.001
local terms energy: -82.981036
where:
bonds (distance) C4'-P energy: -18.192
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -18.272
flat angles P-C4'-P energy: -9.783
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: 2, replica: 10
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -216.172097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.172097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.172097 (E_RNA)
where:
Base-Base interactions energy: -145.744
where: short stacking energy: -72.021
Base-Backbone interact. energy: -0.186
local terms energy: -70.242509
where:
bonds (distance) C4'-P energy: -10.471
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -16.849
flat angles P-C4'-P energy: -9.731
tors. eta vs tors. theta energy: -18.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -191.804983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.804983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.804983 (E_RNA)
where:
Base-Base interactions energy: -121.449
where: short stacking energy: -62.857
Base-Backbone interact. energy: -0.165
local terms energy: -70.190928
where:
bonds (distance) C4'-P energy: -9.060
bonds (distance) P-C4' energy: -14.411
flat angles C4'-P-C4' energy: -17.361
flat angles P-C4'-P energy: -11.191
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: 2
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -205.725037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.725037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.725037 (E_RNA)
where:
Base-Base interactions energy: -137.802
where: short stacking energy: -68.147
Base-Backbone interact. energy: -0.086
local terms energy: -67.837307
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -12.104
flat angles C4'-P-C4' energy: -15.437
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -16.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -150.771804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.771804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.771804 (E_RNA)
where:
Base-Base interactions energy: -91.229
where: short stacking energy: -43.704
Base-Backbone interact. energy: -0.182
local terms energy: -59.360305
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -12.847
flat angles C4'-P-C4' energy: -13.663
flat angles P-C4'-P energy: -11.315
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: 6, replica: 9
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -140.174391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.174391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.174391 (E_RNA)
where:
Base-Base interactions energy: -74.579
where: short stacking energy: -47.242
Base-Backbone interact. energy: -0.206
local terms energy: -65.388973
where:
bonds (distance) C4'-P energy: -16.930
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -16.608
flat angles P-C4'-P energy: -5.169
tors. eta vs tors. theta energy: -10.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -92.761720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.761720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.761720 (E_RNA)
where:
Base-Base interactions energy: -28.117
where: short stacking energy: -23.836
Base-Backbone interact. energy: -0.173
local terms energy: -64.471357
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -10.482
tors. eta vs tors. theta energy: -7.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -97.179497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.179497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.179497 (E_RNA)
where:
Base-Base interactions energy: -45.373
where: short stacking energy: -45.373
Base-Backbone interact. energy: -0.012
local terms energy: -51.794773
where:
bonds (distance) C4'-P energy: -10.153
bonds (distance) P-C4' energy: -12.769
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -6.334
tors. eta vs tors. theta energy: -7.654
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: 3
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -78.861659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.861659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.861659 (E_RNA)
where:
Base-Base interactions energy: -25.939
where: short stacking energy: -23.334
Base-Backbone interact. energy: -0.131
local terms energy: -52.791367
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -12.352
flat angles P-C4'-P energy: -9.849
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: 8
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -74.773889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.773889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.773889 (E_RNA)
where:
Base-Base interactions energy: -28.516
where: short stacking energy: -20.535
Base-Backbone interact. energy: -0.129
local terms energy: -46.129502
where:
bonds (distance) C4'-P energy: -10.079
bonds (distance) P-C4' energy: -12.180
flat angles C4'-P-C4' energy: -13.672
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -1.151
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: 4
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -220.552688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.552688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.552688 (E_RNA)
where:
Base-Base interactions energy: -143.239
where: short stacking energy: -72.037
Base-Backbone interact. energy: -0.105
local terms energy: -77.208974
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -14.471
flat angles C4'-P-C4' energy: -16.892
flat angles P-C4'-P energy: -12.702
tors. eta vs tors. theta energy: -20.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -219.633802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.633802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.633802 (E_RNA)
where:
Base-Base interactions energy: -139.884
where: short stacking energy: -78.178
Base-Backbone interact. energy: -0.016
local terms energy: -79.733440
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -18.357
flat angles P-C4'-P energy: -11.638
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: 3, replica: 6
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -195.774477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.774477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.774477 (E_RNA)
where:
Base-Base interactions energy: -127.909
where: short stacking energy: -58.768
Base-Backbone interact. energy: -0.032
local terms energy: -67.833146
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -14.666
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -15.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -208.081197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.081197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.081197 (E_RNA)
where:
Base-Base interactions energy: -128.657
where: short stacking energy: -66.213
Base-Backbone interact. energy: -0.013
local terms energy: -79.411008
where:
bonds (distance) C4'-P energy: -17.310
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -20.383
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: 1
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -161.266658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.266658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.266658 (E_RNA)
where:
Base-Base interactions energy: -90.654
where: short stacking energy: -58.203
Base-Backbone interact. energy: -0.098
local terms energy: -70.514809
where:
bonds (distance) C4'-P energy: -10.116
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -14.453
flat angles P-C4'-P energy: -9.457
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: 6, replica: 9
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -106.858514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.858514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.858514 (E_RNA)
where:
Base-Base interactions energy: -55.584
where: short stacking energy: -27.808
Base-Backbone interact. energy: -0.085
local terms energy: -51.189377
where:
bonds (distance) C4'-P energy: -15.155
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -11.712
flat angles P-C4'-P energy: -7.345
tors. eta vs tors. theta energy: -3.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -95.414376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.414376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.414376 (E_RNA)
where:
Base-Base interactions energy: -36.112
where: short stacking energy: -34.451
Base-Backbone interact. energy: -0.292
local terms energy: -59.010451
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -13.585
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: -8.064
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: 3
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -81.309292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.309292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.309292 (E_RNA)
where:
Base-Base interactions energy: -26.004
where: short stacking energy: -20.279
Base-Backbone interact. energy: -0.401
local terms energy: -54.904375
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -12.406
flat angles C4'-P-C4' energy: -11.422
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -3.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -86.773490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.773490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.773490 (E_RNA)
where:
Base-Base interactions energy: -28.363
where: short stacking energy: -22.908
Base-Backbone interact. energy: -0.172
local terms energy: -58.238592
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -13.362
flat angles C4'-P-C4' energy: -15.828
flat angles P-C4'-P energy: -10.617
tors. eta vs tors. theta energy: -2.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -70.360294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.360294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.360294 (E_RNA)
where:
Base-Base interactions energy: -30.215
where: short stacking energy: -29.677
Base-Backbone interact. energy: -0.150
local terms energy: -39.994677
where:
bonds (distance) C4'-P energy: -10.207
bonds (distance) P-C4' energy: -9.569
flat angles C4'-P-C4' energy: -12.560
flat angles P-C4'-P energy: -3.371
tors. eta vs tors. theta energy: -4.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -221.972478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.972478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.972478 (E_RNA)
where:
Base-Base interactions energy: -148.174
where: short stacking energy: -79.824
Base-Backbone interact. energy: -0.023
local terms energy: -73.775854
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -15.488
flat angles P-C4'-P energy: -8.242
tors. eta vs tors. theta energy: -20.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -222.381163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.381163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.381163 (E_RNA)
where:
Base-Base interactions energy: -145.123
where: short stacking energy: -74.192
Base-Backbone interact. energy: -0.045
local terms energy: -77.212972
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -10.210
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: 3, replica: 2
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -211.303696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.303696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.303696 (E_RNA)
where:
Base-Base interactions energy: -133.029
where: short stacking energy: -62.696
Base-Backbone interact. energy: 0.761
local terms energy: -79.035686
where:
bonds (distance) C4'-P energy: -18.611
bonds (distance) P-C4' energy: -12.731
flat angles C4'-P-C4' energy: -17.125
flat angles P-C4'-P energy: -12.438
tors. eta vs tors. theta energy: -18.131
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: 6
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -202.403947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.403947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.403947 (E_RNA)
where:
Base-Base interactions energy: -130.290
where: short stacking energy: -65.543
Base-Backbone interact. energy: -0.372
local terms energy: -71.742229
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -13.391
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: -11.746
tors. eta vs tors. theta energy: -17.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -150.304251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.304251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.304251 (E_RNA)
where:
Base-Base interactions energy: -88.346
where: short stacking energy: -53.981
Base-Backbone interact. energy: -0.156
local terms energy: -61.802009
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -13.761
flat angles C4'-P-C4' energy: -12.467
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -11.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -103.896414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.896414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.896414 (E_RNA)
where:
Base-Base interactions energy: -57.275
where: short stacking energy: -43.081
Base-Backbone interact. energy: 1.472
local terms energy: -48.093241
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -13.784
flat angles C4'-P-C4' energy: -12.231
flat angles P-C4'-P energy: -4.765
tors. eta vs tors. theta energy: -4.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -93.259913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.259913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.259913 (E_RNA)
where:
Base-Base interactions energy: -41.093
where: short stacking energy: -25.532
Base-Backbone interact. energy: 1.447
local terms energy: -53.613646
where:
bonds (distance) C4'-P energy: -8.298
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -15.665
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: -2.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -82.694451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.694451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.694451 (E_RNA)
where:
Base-Base interactions energy: -36.158
where: short stacking energy: -26.013
Base-Backbone interact. energy: -0.109
local terms energy: -46.427557
where:
bonds (distance) C4'-P energy: -13.791
bonds (distance) P-C4' energy: -12.801
flat angles C4'-P-C4' energy: -11.595
flat angles P-C4'-P energy: -7.160
tors. eta vs tors. theta energy: -1.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -89.263095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.263095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.263095 (E_RNA)
where:
Base-Base interactions energy: -32.853
where: short stacking energy: -27.704
Base-Backbone interact. energy: -0.007
local terms energy: -56.402530
where:
bonds (distance) C4'-P energy: -11.263
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -11.102
flat angles P-C4'-P energy: -13.079
tors. eta vs tors. theta energy: -4.923
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: 5
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -86.617722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.617722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.617722 (E_RNA)
where:
Base-Base interactions energy: -38.792
where: short stacking energy: -25.823
Base-Backbone interact. energy: -0.152
local terms energy: -47.673056
where:
bonds (distance) C4'-P energy: -13.915
bonds (distance) P-C4' energy: -9.365
flat angles C4'-P-C4' energy: -13.161
flat angles P-C4'-P energy: -8.881
tors. eta vs tors. theta energy: -2.350
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: 10
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -215.350657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.350657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.350657 (E_RNA)
where:
Base-Base interactions energy: -138.439
where: short stacking energy: -71.525
Base-Backbone interact. energy: -1.149
local terms energy: -75.763478
where:
bonds (distance) C4'-P energy: -13.136
bonds (distance) P-C4' energy: -14.898
flat angles C4'-P-C4' energy: -16.323
flat angles P-C4'-P energy: -12.157
tors. eta vs tors. theta energy: -19.249
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: 2
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -212.058716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.058716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.058716 (E_RNA)
where:
Base-Base interactions energy: -144.935
where: short stacking energy: -64.208
Base-Backbone interact. energy: -0.435
local terms energy: -66.689612
where:
bonds (distance) C4'-P energy: -15.372
bonds (distance) P-C4' energy: -9.177
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -8.851
tors. eta vs tors. theta energy: -17.920
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: 4
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -201.486226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.486226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.486226 (E_RNA)
where:
Base-Base interactions energy: -126.978
where: short stacking energy: -61.052
Base-Backbone interact. energy: 0.114
local terms energy: -74.622083
where:
bonds (distance) C4'-P energy: -14.128
bonds (distance) P-C4' energy: -16.444
flat angles C4'-P-C4' energy: -14.100
flat angles P-C4'-P energy: -12.604
tors. eta vs tors. theta energy: -17.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -209.482372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.482372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.482372 (E_RNA)
where:
Base-Base interactions energy: -139.038
where: short stacking energy: -71.066
Base-Backbone interact. energy: -0.358
local terms energy: -70.085588
where:
bonds (distance) C4'-P energy: -9.690
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -11.135
flat angles P-C4'-P energy: -12.343
tors. eta vs tors. theta energy: -21.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -138.711825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.711825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.711825 (E_RNA)
where:
Base-Base interactions energy: -77.437
where: short stacking energy: -46.081
Base-Backbone interact. energy: -1.125
local terms energy: -60.150564
where:
bonds (distance) C4'-P energy: -14.663
bonds (distance) P-C4' energy: -9.209
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -9.570
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: 85
Temperature: 1.150000
Total energy: -106.967585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.967585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.967585 (E_RNA)
where:
Base-Base interactions energy: -59.870
where: short stacking energy: -44.219
Base-Backbone interact. energy: 1.475
local terms energy: -48.572178
where:
bonds (distance) C4'-P energy: -13.377
bonds (distance) P-C4' energy: -14.407
flat angles C4'-P-C4' energy: -12.264
flat angles P-C4'-P energy: -4.571
tors. eta vs tors. theta energy: -3.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -105.523382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.523382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.523382 (E_RNA)
where:
Base-Base interactions energy: -50.701
where: short stacking energy: -27.965
Base-Backbone interact. energy: -0.301
local terms energy: -54.521356
where:
bonds (distance) C4'-P energy: -8.539
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -10.027
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: -9.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -86.664686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.664686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.664686 (E_RNA)
where:
Base-Base interactions energy: -38.988
where: short stacking energy: -25.509
Base-Backbone interact. energy: -0.786
local terms energy: -46.890457
where:
bonds (distance) C4'-P energy: -12.582
bonds (distance) P-C4' energy: -12.647
flat angles C4'-P-C4' energy: -13.002
flat angles P-C4'-P energy: -8.550
tors. eta vs tors. theta energy: -0.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -80.650137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.650137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.650137 (E_RNA)
where:
Base-Base interactions energy: -25.821
where: short stacking energy: -25.821
Base-Backbone interact. energy: -0.237
local terms energy: -54.592710
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -10.074
flat angles C4'-P-C4' energy: -11.953
flat angles P-C4'-P energy: -10.769
tors. eta vs tors. theta energy: -6.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -87.797540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.797540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.797540 (E_RNA)
where:
Base-Base interactions energy: -37.996
where: short stacking energy: -37.996
Base-Backbone interact. energy: -0.089
local terms energy: -49.712596
where:
bonds (distance) C4'-P energy: -7.036
bonds (distance) P-C4' energy: -12.885
flat angles C4'-P-C4' energy: -14.014
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -6.734
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: 2
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -214.626916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.626916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.626916 (E_RNA)
where:
Base-Base interactions energy: -137.272
where: short stacking energy: -62.362
Base-Backbone interact. energy: -0.944
local terms energy: -76.411251
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -17.819
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -17.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -219.824085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.824085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.824085 (E_RNA)
where:
Base-Base interactions energy: -142.515
where: short stacking energy: -71.632
Base-Backbone interact. energy: -0.012
local terms energy: -77.296989
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -14.775
flat angles C4'-P-C4' energy: -13.943
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: -23.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -210.777045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.777045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.777045 (E_RNA)
where:
Base-Base interactions energy: -136.383
where: short stacking energy: -69.443
Base-Backbone interact. energy: -0.292
local terms energy: -74.101901
where:
bonds (distance) C4'-P energy: -12.329
bonds (distance) P-C4' energy: -17.380
flat angles C4'-P-C4' energy: -16.706
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -17.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -210.929074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.929074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.929074 (E_RNA)
where:
Base-Base interactions energy: -131.830
where: short stacking energy: -67.150
Base-Backbone interact. energy: -0.499
local terms energy: -78.599901
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -17.773
flat angles P-C4'-P energy: -11.796
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: 9
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -99.928661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.928661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.928661 (E_RNA)
where:
Base-Base interactions energy: -47.013
where: short stacking energy: -35.734
Base-Backbone interact. energy: -0.183
local terms energy: -52.732076
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -8.169
tors. eta vs tors. theta energy: -1.811
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: 86
Temperature: 1.150000
Total energy: -144.332647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.332647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.332647 (E_RNA)
where:
Base-Base interactions energy: -81.089
where: short stacking energy: -48.530
Base-Backbone interact. energy: -0.621
local terms energy: -62.622505
where:
bonds (distance) C4'-P energy: -11.644
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -15.654
flat angles P-C4'-P energy: -6.714
tors. eta vs tors. theta energy: -10.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -90.661817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.661817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.661817 (E_RNA)
where:
Base-Base interactions energy: -35.152
where: short stacking energy: -27.708
Base-Backbone interact. energy: 0.157
local terms energy: -55.666653
where:
bonds (distance) C4'-P energy: -14.842
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -11.963
flat angles P-C4'-P energy: -11.276
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: 8, replica: 3
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -106.594925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.594925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.594925 (E_RNA)
where:
Base-Base interactions energy: -51.478
where: short stacking energy: -26.563
Base-Backbone interact. energy: -0.174
local terms energy: -54.943385
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -12.005
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: 0.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -86.239730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.239730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.239730 (E_RNA)
where:
Base-Base interactions energy: -34.665
where: short stacking energy: -34.665
Base-Backbone interact. energy: -0.237
local terms energy: -51.337457
where:
bonds (distance) C4'-P energy: -12.218
bonds (distance) P-C4' energy: -10.948
flat angles C4'-P-C4' energy: -16.008
flat angles P-C4'-P energy: -8.862
tors. eta vs tors. theta energy: -3.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -79.232522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.232522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.232522 (E_RNA)
where:
Base-Base interactions energy: -29.808
where: short stacking energy: -23.236
Base-Backbone interact. energy: 0.357
local terms energy: -49.781871
where:
bonds (distance) C4'-P energy: -13.074
bonds (distance) P-C4' energy: -9.968
flat angles C4'-P-C4' energy: -9.652
flat angles P-C4'-P energy: -8.702
tors. eta vs tors. theta energy: -8.386
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: 1, replica: 2
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -199.074559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.074559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.074559 (E_RNA)
where:
Base-Base interactions energy: -122.588
where: short stacking energy: -61.349
Base-Backbone interact. energy: -0.310
local terms energy: -76.176878
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -11.673
flat angles C4'-P-C4' energy: -15.402
flat angles P-C4'-P energy: -13.736
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: 6
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -214.776678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.776678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.776678 (E_RNA)
where:
Base-Base interactions energy: -140.720
where: short stacking energy: -71.658
Base-Backbone interact. energy: -0.020
local terms energy: -74.036605
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -14.109
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: -20.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -211.815410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.815410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.815410 (E_RNA)
where:
Base-Base interactions energy: -128.778
where: short stacking energy: -64.563
Base-Backbone interact. energy: -0.770
local terms energy: -82.266914
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -15.552
flat angles C4'-P-C4' energy: -17.463
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -23.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -207.017897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.017897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.017897 (E_RNA)
where:
Base-Base interactions energy: -127.436
where: short stacking energy: -70.107
Base-Backbone interact. energy: -0.443
local terms energy: -79.139101
where:
bonds (distance) C4'-P energy: -16.992
bonds (distance) P-C4' energy: -18.258
flat angles C4'-P-C4' energy: -15.936
flat angles P-C4'-P energy: -8.871
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: 5, replica: 9
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -103.531161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.531161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.531161 (E_RNA)
where:
Base-Base interactions energy: -41.048
where: short stacking energy: -41.048
Base-Backbone interact. energy: -0.516
local terms energy: -61.966791
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -13.188
flat angles C4'-P-C4' energy: -16.793
flat angles P-C4'-P energy: -12.814
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: 6, replica: 8
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -90.119042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.119042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.119042 (E_RNA)
where:
Base-Base interactions energy: -42.816
where: short stacking energy: -36.123
Base-Backbone interact. energy: -0.784
local terms energy: -46.519436
where:
bonds (distance) C4'-P energy: -10.169
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -15.082
flat angles P-C4'-P energy: -6.508
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: 7, replica: 1
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -121.158387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.158387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.158387 (E_RNA)
where:
Base-Base interactions energy: -69.077
where: short stacking energy: -37.874
Base-Backbone interact. energy: -0.184
local terms energy: -51.897452
where:
bonds (distance) C4'-P energy: -10.716
bonds (distance) P-C4' energy: -19.402
flat angles C4'-P-C4' energy: -7.408
flat angles P-C4'-P energy: -11.093
tors. eta vs tors. theta energy: -3.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -91.631035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.631035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.631035 (E_RNA)
where:
Base-Base interactions energy: -34.918
where: short stacking energy: -34.918
Base-Backbone interact. energy: -0.013
local terms energy: -56.700174
where:
bonds (distance) C4'-P energy: -18.474
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -7.855
flat angles P-C4'-P energy: -8.470
tors. eta vs tors. theta energy: -6.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -74.630446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.630446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.630446 (E_RNA)
where:
Base-Base interactions energy: -32.210
where: short stacking energy: -17.320
Base-Backbone interact. energy: -0.800
local terms energy: -41.620450
where:
bonds (distance) C4'-P energy: -12.165
bonds (distance) P-C4' energy: -13.633
flat angles C4'-P-C4' energy: -13.088
flat angles P-C4'-P energy: -9.168
tors. eta vs tors. theta energy: 6.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -73.557105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.557105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.557105 (E_RNA)
where:
Base-Base interactions energy: -28.594
where: short stacking energy: -27.725
Base-Backbone interact. energy: -0.225
local terms energy: -44.737428
where:
bonds (distance) C4'-P energy: -18.188
bonds (distance) P-C4' energy: -11.539
flat angles C4'-P-C4' energy: -7.067
flat angles P-C4'-P energy: -7.192
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: 6
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -210.182347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.182347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.182347 (E_RNA)
where:
Base-Base interactions energy: -137.124
where: short stacking energy: -58.271
Base-Backbone interact. energy: -0.387
local terms energy: -72.672075
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -15.126
flat angles C4'-P-C4' energy: -16.470
flat angles P-C4'-P energy: -12.883
tors. eta vs tors. theta energy: -12.207
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: 2
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -197.076482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.076482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.076482 (E_RNA)
where:
Base-Base interactions energy: -124.652
where: short stacking energy: -68.186
Base-Backbone interact. energy: -0.720
local terms energy: -71.704730
where:
bonds (distance) C4'-P energy: -12.218
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -17.709
flat angles P-C4'-P energy: -9.192
tors. eta vs tors. theta energy: -18.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -204.415210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.415210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.415210 (E_RNA)
where:
Base-Base interactions energy: -132.844
where: short stacking energy: -68.175
Base-Backbone interact. energy: -0.388
local terms energy: -71.183232
where:
bonds (distance) C4'-P energy: -11.119
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -11.021
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: 4, replica: 4
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -173.743758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.743758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.743758 (E_RNA)
where:
Base-Base interactions energy: -103.437
where: short stacking energy: -52.191
Base-Backbone interact. energy: -0.510
local terms energy: -69.797527
where:
bonds (distance) C4'-P energy: -11.144
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -15.433
flat angles P-C4'-P energy: -13.465
tors. eta vs tors. theta energy: -11.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -112.037996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.037996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.037996 (E_RNA)
where:
Base-Base interactions energy: -46.468
where: short stacking energy: -46.468
Base-Backbone interact. energy: -0.009
local terms energy: -65.561096
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -14.728
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -10.696
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: 8
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -95.858782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.858782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.858782 (E_RNA)
where:
Base-Base interactions energy: -37.125
where: short stacking energy: -37.125
Base-Backbone interact. energy: -0.068
local terms energy: -58.666548
where:
bonds (distance) C4'-P energy: -10.626
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -8.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -127.886136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.886136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.886136 (E_RNA)
where:
Base-Base interactions energy: -65.238
where: short stacking energy: -36.807
Base-Backbone interact. energy: -0.091
local terms energy: -62.557591
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -12.731
flat angles P-C4'-P energy: -7.646
tors. eta vs tors. theta energy: -11.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -87.484182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.484182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.484182 (E_RNA)
where:
Base-Base interactions energy: -36.967
where: short stacking energy: -33.259
Base-Backbone interact. energy: -0.535
local terms energy: -49.981509
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -11.676
flat angles C4'-P-C4' energy: -8.456
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: -6.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -81.651575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.651575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.651575 (E_RNA)
where:
Base-Base interactions energy: -28.961
where: short stacking energy: -28.720
Base-Backbone interact. energy: -0.176
local terms energy: -52.514950
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -12.831
flat angles P-C4'-P energy: -7.516
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: 3
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -80.265336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.265336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.265336 (E_RNA)
where:
Base-Base interactions energy: -24.260
where: short stacking energy: -20.848
Base-Backbone interact. energy: -0.091
local terms energy: -55.914713
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -16.828
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -8.195
tors. eta vs tors. theta energy: -1.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -210.354579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.354579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.354579 (E_RNA)
where:
Base-Base interactions energy: -139.446
where: short stacking energy: -58.471
Base-Backbone interact. energy: -0.267
local terms energy: -70.641723
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: -13.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -201.611130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.611130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.611130 (E_RNA)
where:
Base-Base interactions energy: -130.000
where: short stacking energy: -67.792
Base-Backbone interact. energy: -1.714
local terms energy: -69.897159
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -17.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -190.607239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.607239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.607239 (E_RNA)
where:
Base-Base interactions energy: -125.172
where: short stacking energy: -55.706
Base-Backbone interact. energy: 1.650
local terms energy: -67.085507
where:
bonds (distance) C4'-P energy: -12.204
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -10.890
flat angles P-C4'-P energy: -9.317
tors. eta vs tors. theta energy: -19.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -181.804629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.804629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.804629 (E_RNA)
where:
Base-Base interactions energy: -112.225
where: short stacking energy: -50.410
Base-Backbone interact. energy: -0.510
local terms energy: -69.069992
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: -12.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -110.743899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.743899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.743899 (E_RNA)
where:
Base-Base interactions energy: -44.117
where: short stacking energy: -43.717
Base-Backbone interact. energy: -0.041
local terms energy: -66.585729
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -11.143
tors. eta vs tors. theta energy: -12.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -132.469193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.469193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.469193 (E_RNA)
where:
Base-Base interactions energy: -64.559
where: short stacking energy: -45.934
Base-Backbone interact. energy: -0.511
local terms energy: -67.399287
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -11.076
flat angles C4'-P-C4' energy: -12.316
flat angles P-C4'-P energy: -12.181
tors. eta vs tors. theta energy: -17.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -100.892396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.892396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.892396 (E_RNA)
where:
Base-Base interactions energy: -41.099
where: short stacking energy: -41.099
Base-Backbone interact. energy: -0.009
local terms energy: -59.784547
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -14.316
flat angles C4'-P-C4' energy: -10.101
flat angles P-C4'-P energy: -10.987
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: 8, replica: 5
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -77.497239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.497239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.497239 (E_RNA)
where:
Base-Base interactions energy: -31.326
where: short stacking energy: -28.804
Base-Backbone interact. energy: -0.458
local terms energy: -45.713698
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -13.531
flat angles C4'-P-C4' energy: -12.782
flat angles P-C4'-P energy: -7.486
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: 9, replica: 7
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -73.338653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.338653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.338653 (E_RNA)
where:
Base-Base interactions energy: -29.926
where: short stacking energy: -28.158
Base-Backbone interact. energy: -0.136
local terms energy: -43.276358
where:
bonds (distance) C4'-P energy: -9.431
bonds (distance) P-C4' energy: -9.455
flat angles C4'-P-C4' energy: -14.288
flat angles P-C4'-P energy: -7.282
tors. eta vs tors. theta energy: -2.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -75.854529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.854529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.854529 (E_RNA)
where:
Base-Base interactions energy: -29.299
where: short stacking energy: -22.058
Base-Backbone interact. energy: -0.127
local terms energy: -46.428554
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -11.320
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: -1.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -194.349979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.349979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.349979 (E_RNA)
where:
Base-Base interactions energy: -122.164
where: short stacking energy: -59.395
Base-Backbone interact. energy: -0.711
local terms energy: -71.474434
where:
bonds (distance) C4'-P energy: -14.605
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -11.606
tors. eta vs tors. theta energy: -14.479
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: 6
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -199.758130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.758130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.758130 (E_RNA)
where:
Base-Base interactions energy: -123.417
where: short stacking energy: -64.394
Base-Backbone interact. energy: -0.003
local terms energy: -76.337717
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -15.793
flat angles P-C4'-P energy: -11.181
tors. eta vs tors. theta energy: -17.969
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: 2
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -219.149029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.149029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.149029 (E_RNA)
where:
Base-Base interactions energy: -141.852
where: short stacking energy: -75.134
Base-Backbone interact. energy: -0.027
local terms energy: -77.270471
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -17.041
flat angles P-C4'-P energy: -11.254
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: 4, replica: 4
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -199.283012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.283012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.283012 (E_RNA)
where:
Base-Base interactions energy: -134.071
where: short stacking energy: -64.791
Base-Backbone interact. energy: -0.200
local terms energy: -65.012229
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -11.665
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -11.761
tors. eta vs tors. theta energy: -14.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -174.846351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.846351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.846351 (E_RNA)
where:
Base-Base interactions energy: -112.922
where: short stacking energy: -53.158
Base-Backbone interact. energy: -0.070
local terms energy: -61.854392
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -11.180
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: -12.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -132.066104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.066104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.066104 (E_RNA)
where:
Base-Base interactions energy: -80.177
where: short stacking energy: -30.868
Base-Backbone interact. energy: -0.181
local terms energy: -51.707707
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -10.369
flat angles C4'-P-C4' energy: -14.340
flat angles P-C4'-P energy: -10.080
tors. eta vs tors. theta energy: -1.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -97.819452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.819452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.819452 (E_RNA)
where:
Base-Base interactions energy: -34.931
where: short stacking energy: -33.872
Base-Backbone interact. energy: -0.010
local terms energy: -62.878260
where:
bonds (distance) C4'-P energy: -11.326
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -10.278
tors. eta vs tors. theta energy: -10.221
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: 8, replica: 8
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -89.823734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.823734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.823734 (E_RNA)
where:
Base-Base interactions energy: -34.852
where: short stacking energy: -24.706
Base-Backbone interact. energy: -0.274
local terms energy: -54.697869
where:
bonds (distance) C4'-P energy: -8.465
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -9.359
tors. eta vs tors. theta energy: -6.276
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: 90
Temperature: 1.300000
Total energy: -104.986889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.986889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.986889 (E_RNA)
where:
Base-Base interactions energy: -54.741
where: short stacking energy: -29.234
Base-Backbone interact. energy: -0.244
local terms energy: -50.002740
where:
bonds (distance) C4'-P energy: -18.234
bonds (distance) P-C4' energy: -14.662
flat angles C4'-P-C4' energy: -14.177
flat angles P-C4'-P energy: -4.766
tors. eta vs tors. theta energy: 1.835
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: 90
Temperature: 1.350000
Total energy: -80.023347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.023347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.023347 (E_RNA)
where:
Base-Base interactions energy: -34.797
where: short stacking energy: -14.988
Base-Backbone interact. energy: 0.864
local terms energy: -46.090590
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -6.563
flat angles P-C4'-P energy: -5.694
tors. eta vs tors. theta energy: -1.437
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: 1, replica: 10
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -203.446461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.446461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.446461 (E_RNA)
where:
Base-Base interactions energy: -125.380
where: short stacking energy: -56.908
Base-Backbone interact. energy: -0.341
local terms energy: -77.724773
where:
bonds (distance) C4'-P energy: -15.168
bonds (distance) P-C4' energy: -17.761
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -11.480
tors. eta vs tors. theta energy: -17.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -219.444826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.444826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.444826 (E_RNA)
where:
Base-Base interactions energy: -143.678
where: short stacking energy: -71.955
Base-Backbone interact. energy: -0.692
local terms energy: -75.074326
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -12.507
flat angles C4'-P-C4' energy: -15.149
flat angles P-C4'-P energy: -10.251
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: 3, replica: 6
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -199.671112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.671112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.671112 (E_RNA)
where:
Base-Base interactions energy: -122.720
where: short stacking energy: -61.100
Base-Backbone interact. energy: -0.763
local terms energy: -76.188109
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -16.083
flat angles P-C4'-P energy: -10.301
tors. eta vs tors. theta energy: -18.001
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: 1
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -174.932567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.932567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.932567 (E_RNA)
where:
Base-Base interactions energy: -110.353
where: short stacking energy: -47.443
Base-Backbone interact. energy: -0.347
local terms energy: -64.232918
where:
bonds (distance) C4'-P energy: -13.400
bonds (distance) P-C4' energy: -12.732
flat angles C4'-P-C4' energy: -18.492
flat angles P-C4'-P energy: -10.466
tors. eta vs tors. theta energy: -9.144
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: 4
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -197.262541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.262541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.262541 (E_RNA)
where:
Base-Base interactions energy: -131.217
where: short stacking energy: -67.290
Base-Backbone interact. energy: -0.006
local terms energy: -66.039657
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -11.018
flat angles C4'-P-C4' energy: -11.127
flat angles P-C4'-P energy: -10.475
tors. eta vs tors. theta energy: -18.091
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: 5
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -106.433461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.433461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.433461 (E_RNA)
where:
Base-Base interactions energy: -46.164
where: short stacking energy: -46.164
Base-Backbone interact. energy: -0.149
local terms energy: -60.121113
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -14.643
flat angles P-C4'-P energy: -4.542
tors. eta vs tors. theta energy: -11.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -92.580199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.580199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.580199 (E_RNA)
where:
Base-Base interactions energy: -28.656
where: short stacking energy: -27.308
Base-Backbone interact. energy: 0.357
local terms energy: -64.280649
where:
bonds (distance) C4'-P energy: -15.985
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -12.220
flat angles P-C4'-P energy: -11.860
tors. eta vs tors. theta energy: -7.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -105.732351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.732351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.732351 (E_RNA)
where:
Base-Base interactions energy: -56.811
where: short stacking energy: -26.464
Base-Backbone interact. energy: -0.348
local terms energy: -48.573018
where:
bonds (distance) C4'-P energy: -13.785
bonds (distance) P-C4' energy: -11.303
flat angles C4'-P-C4' energy: -17.362
flat angles P-C4'-P energy: -5.456
tors. eta vs tors. theta energy: -0.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -86.888536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.888536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.888536 (E_RNA)
where:
Base-Base interactions energy: -32.425
where: short stacking energy: -32.425
Base-Backbone interact. energy: -0.069
local terms energy: -54.393985
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -11.229
flat angles C4'-P-C4' energy: -13.959
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -4.827
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: 10, replica: 7
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -87.241825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.241825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.241825 (E_RNA)
where:
Base-Base interactions energy: -36.991
where: short stacking energy: -31.996
Base-Backbone interact. energy: 0.618
local terms energy: -50.868407
where:
bonds (distance) C4'-P energy: -7.127
bonds (distance) P-C4' energy: -11.645
flat angles C4'-P-C4' energy: -15.146
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -6.971
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: 10
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -217.676347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.676347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.676347 (E_RNA)
where:
Base-Base interactions energy: -143.439
where: short stacking energy: -73.861
Base-Backbone interact. energy: -0.105
local terms energy: -74.132714
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -17.636
flat angles P-C4'-P energy: -8.766
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: 2, replica: 2
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -213.536429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.536429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.536429 (E_RNA)
where:
Base-Base interactions energy: -131.259
where: short stacking energy: -66.445
Base-Backbone interact. energy: -0.149
local terms energy: -82.127872
where:
bonds (distance) C4'-P energy: -17.629
bonds (distance) P-C4' energy: -17.546
flat angles C4'-P-C4' energy: -16.547
flat angles P-C4'-P energy: -11.633
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: 3, replica: 6
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -200.241663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.241663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.241663 (E_RNA)
where:
Base-Base interactions energy: -122.129
where: short stacking energy: -67.264
Base-Backbone interact. energy: -0.063
local terms energy: -78.049863
where:
bonds (distance) C4'-P energy: -16.256
bonds (distance) P-C4' energy: -14.466
flat angles C4'-P-C4' energy: -16.888
flat angles P-C4'-P energy: -10.955
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: 4, replica: 1
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -200.447281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.447281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.447281 (E_RNA)
where:
Base-Base interactions energy: -130.639
where: short stacking energy: -61.436
Base-Backbone interact. energy: -0.636
local terms energy: -69.171896
where:
bonds (distance) C4'-P energy: -8.058
bonds (distance) P-C4' energy: -16.248
flat angles C4'-P-C4' energy: -17.160
flat angles P-C4'-P energy: -10.570
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: 5, replica: 4
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -210.470229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.470229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.470229 (E_RNA)
where:
Base-Base interactions energy: -132.219
where: short stacking energy: -72.356
Base-Backbone interact. energy: -0.016
local terms energy: -78.235794
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -12.857
flat angles C4'-P-C4' energy: -17.895
flat angles P-C4'-P energy: -11.077
tors. eta vs tors. theta energy: -21.095
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: 5
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -84.805453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.805453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.805453 (E_RNA)
where:
Base-Base interactions energy: -35.825
where: short stacking energy: -35.825
Base-Backbone interact. energy: 0.217
local terms energy: -49.197294
where:
bonds (distance) C4'-P energy: -11.043
bonds (distance) P-C4' energy: -9.644
flat angles C4'-P-C4' energy: -17.140
flat angles P-C4'-P energy: -9.001
tors. eta vs tors. theta energy: -2.370
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: 7, replica: 3
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -93.811885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.811885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.811885 (E_RNA)
where:
Base-Base interactions energy: -41.627
where: short stacking energy: -30.972
Base-Backbone interact. energy: -0.085
local terms energy: -52.100683
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -8.371
flat angles C4'-P-C4' energy: -13.525
flat angles P-C4'-P energy: -8.122
tors. eta vs tors. theta energy: -8.812
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: 8, replica: 9
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -84.831938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.831938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.831938 (E_RNA)
where:
Base-Base interactions energy: -26.700
where: short stacking energy: -24.265
Base-Backbone interact. energy: -0.482
local terms energy: -57.650669
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -13.465
flat angles C4'-P-C4' energy: -13.866
flat angles P-C4'-P energy: -9.292
tors. eta vs tors. theta energy: -6.560
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: 7
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -86.346638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.346638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.346638 (E_RNA)
where:
Base-Base interactions energy: -38.534
where: short stacking energy: -16.672
Base-Backbone interact. energy: -0.320
local terms energy: -47.493419
where:
bonds (distance) C4'-P energy: -16.690
bonds (distance) P-C4' energy: -15.791
flat angles C4'-P-C4' energy: -10.898
flat angles P-C4'-P energy: -4.602
tors. eta vs tors. theta energy: 0.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -78.852810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.852810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.852810 (E_RNA)
where:
Base-Base interactions energy: -28.431
where: short stacking energy: -28.431
Base-Backbone interact. energy: -0.485
local terms energy: -49.937744
where:
bonds (distance) C4'-P energy: -11.491
bonds (distance) P-C4' energy: -8.229
flat angles C4'-P-C4' energy: -17.095
flat angles P-C4'-P energy: -10.741
tors. eta vs tors. theta energy: -2.382
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: 10
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -228.467787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.467787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.467787 (E_RNA)
where:
Base-Base interactions energy: -148.707
where: short stacking energy: -76.672
Base-Backbone interact. energy: -0.039
local terms energy: -79.722353
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -16.755
flat angles P-C4'-P energy: -10.238
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: 2
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -217.338663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.338663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.338663 (E_RNA)
where:
Base-Base interactions energy: -138.288
where: short stacking energy: -69.199
Base-Backbone interact. energy: 0.351
local terms energy: -79.401285
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -17.128
flat angles P-C4'-P energy: -12.204
tors. eta vs tors. theta energy: -18.594
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: 3, replica: 6
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -202.399936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.399936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.399936 (E_RNA)
where:
Base-Base interactions energy: -124.213
where: short stacking energy: -63.609
Base-Backbone interact. energy: -0.051
local terms energy: -78.136178
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -17.620
flat angles P-C4'-P energy: -10.625
tors. eta vs tors. theta energy: -21.000
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: 1
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -206.889644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.889644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.889644 (E_RNA)
where:
Base-Base interactions energy: -131.739
where: short stacking energy: -67.308
Base-Backbone interact. energy: -0.035
local terms energy: -75.115876
where:
bonds (distance) C4'-P energy: -15.395
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -18.356
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: 93
Temperature: 1.100000
Total energy: -204.754588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.754588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.754588 (E_RNA)
where:
Base-Base interactions energy: -133.634
where: short stacking energy: -64.944
Base-Backbone interact. energy: -0.605
local terms energy: -70.515464
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -17.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -106.549378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.549378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.549378 (E_RNA)
where:
Base-Base interactions energy: -45.077
where: short stacking energy: -36.684
Base-Backbone interact. energy: -0.180
local terms energy: -61.291895
where:
bonds (distance) C4'-P energy: -15.440
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -11.183
flat angles P-C4'-P energy: -11.750
tors. eta vs tors. theta energy: -7.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -83.943888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.943888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.943888 (E_RNA)
where:
Base-Base interactions energy: -32.836
where: short stacking energy: -30.850
Base-Backbone interact. energy: -0.206
local terms energy: -50.901837
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -10.001
flat angles P-C4'-P energy: -8.953
tors. eta vs tors. theta energy: -2.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -89.906615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.906615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.906615 (E_RNA)
where:
Base-Base interactions energy: -41.139
where: short stacking energy: -22.752
Base-Backbone interact. energy: -0.203
local terms energy: -48.564786
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -13.111
flat angles P-C4'-P energy: -8.103
tors. eta vs tors. theta energy: -1.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -80.704857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.704857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.704857 (E_RNA)
where:
Base-Base interactions energy: -39.368
where: short stacking energy: -34.447
Base-Backbone interact. energy: -0.141
local terms energy: -41.196447
where:
bonds (distance) C4'-P energy: -14.407
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -4.786
flat angles P-C4'-P energy: -4.435
tors. eta vs tors. theta energy: -4.448
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: 8
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -75.796370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.796370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.796370 (E_RNA)
where:
Base-Base interactions energy: -30.544
where: short stacking energy: -28.965
Base-Backbone interact. energy: -0.119
local terms energy: -45.133605
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -11.267
flat angles C4'-P-C4' energy: -12.082
flat angles P-C4'-P energy: -4.640
tors. eta vs tors. theta energy: -3.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -220.529375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.529375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.529375 (E_RNA)
where:
Base-Base interactions energy: -145.289
where: short stacking energy: -69.786
Base-Backbone interact. energy: -0.004
local terms energy: -75.236220
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -17.113
flat angles P-C4'-P energy: -11.699
tors. eta vs tors. theta energy: -16.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -223.816699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.816699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.816699 (E_RNA)
where:
Base-Base interactions energy: -140.673
where: short stacking energy: -67.756
Base-Backbone interact. energy: 0.540
local terms energy: -83.683734
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -17.741
flat angles C4'-P-C4' energy: -14.708
flat angles P-C4'-P energy: -13.974
tors. eta vs tors. theta energy: -22.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -214.511917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.511917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.511917 (E_RNA)
where:
Base-Base interactions energy: -133.793
where: short stacking energy: -73.769
Base-Backbone interact. energy: -0.091
local terms energy: -80.628272
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -13.910
tors. eta vs tors. theta energy: -21.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -200.068178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.068178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.068178 (E_RNA)
where:
Base-Base interactions energy: -125.811
where: short stacking energy: -64.556
Base-Backbone interact. energy: -0.003
local terms energy: -74.254986
where:
bonds (distance) C4'-P energy: -12.694
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -16.322
flat angles P-C4'-P energy: -11.977
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: 94
Temperature: 1.100000
Total energy: -193.657795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.657795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.657795 (E_RNA)
where:
Base-Base interactions energy: -129.041
where: short stacking energy: -68.732
Base-Backbone interact. energy: -0.224
local terms energy: -64.393498
where:
bonds (distance) C4'-P energy: -16.101
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -9.463
flat angles P-C4'-P energy: -7.634
tors. eta vs tors. theta energy: -18.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -95.583599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.583599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.583599 (E_RNA)
where:
Base-Base interactions energy: -39.351
where: short stacking energy: -28.489
Base-Backbone interact. energy: -0.100
local terms energy: -56.132669
where:
bonds (distance) C4'-P energy: -14.486
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -13.131
flat angles P-C4'-P energy: -8.113
tors. eta vs tors. theta energy: -2.388
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: 9
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -114.510305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.510305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.510305 (E_RNA)
where:
Base-Base interactions energy: -56.456
where: short stacking energy: -30.909
Base-Backbone interact. energy: -1.249
local terms energy: -56.804978
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -12.430
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: -1.460
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: 5
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -89.530749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.530749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.530749 (E_RNA)
where:
Base-Base interactions energy: -35.055
where: short stacking energy: -30.509
Base-Backbone interact. energy: -0.184
local terms energy: -54.291277
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -9.083
flat angles P-C4'-P energy: -14.126
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: 8
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -82.032111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.032111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.032111 (E_RNA)
where:
Base-Base interactions energy: -32.531
where: short stacking energy: -21.959
Base-Backbone interact. energy: -0.112
local terms energy: -49.389019
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -15.175
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -4.796
tors. eta vs tors. theta energy: -4.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -72.629634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.629634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.629634 (E_RNA)
where:
Base-Base interactions energy: -24.238
where: short stacking energy: -24.238
Base-Backbone interact. energy: -0.098
local terms energy: -48.294015
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -11.211
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -7.582
tors. eta vs tors. theta energy: 0.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -218.976642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.976642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.976642 (E_RNA)
where:
Base-Base interactions energy: -137.974
where: short stacking energy: -69.748
Base-Backbone interact. energy: 0.212
local terms energy: -81.214727
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -17.794
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -12.616
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: 10
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -219.690620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.690620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.690620 (E_RNA)
where:
Base-Base interactions energy: -139.738
where: short stacking energy: -70.226
Base-Backbone interact. energy: -0.055
local terms energy: -79.898267
where:
bonds (distance) C4'-P energy: -16.578
bonds (distance) P-C4' energy: -9.648
flat angles C4'-P-C4' energy: -17.673
flat angles P-C4'-P energy: -14.546
tors. eta vs tors. theta energy: -21.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -215.952228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.952228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.952228 (E_RNA)
where:
Base-Base interactions energy: -130.692
where: short stacking energy: -69.505
Base-Backbone interact. energy: -0.002
local terms energy: -85.258121
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -17.365
flat angles P-C4'-P energy: -12.103
tors. eta vs tors. theta energy: -23.634
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: 6
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -194.463044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.463044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.463044 (E_RNA)
where:
Base-Base interactions energy: -122.454
where: short stacking energy: -58.926
Base-Backbone interact. energy: -0.003
local terms energy: -72.005344
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -11.941
flat angles C4'-P-C4' energy: -15.797
flat angles P-C4'-P energy: -12.784
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: 5, replica: 4
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -196.603034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.603034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.603034 (E_RNA)
where:
Base-Base interactions energy: -128.045
where: short stacking energy: -68.223
Base-Backbone interact. energy: -0.016
local terms energy: -68.541976
where:
bonds (distance) C4'-P energy: -12.495
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -14.395
flat angles P-C4'-P energy: -7.087
tors. eta vs tors. theta energy: -21.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -96.366781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.366781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.366781 (E_RNA)
where:
Base-Base interactions energy: -39.111
where: short stacking energy: -34.195
Base-Backbone interact. energy: -0.394
local terms energy: -56.861783
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -12.253
flat angles P-C4'-P energy: -10.349
tors. eta vs tors. theta energy: -2.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -91.250764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.250764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.250764 (E_RNA)
where:
Base-Base interactions energy: -41.478
where: short stacking energy: -35.407
Base-Backbone interact. energy: -0.293
local terms energy: -49.480126
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -9.911
flat angles P-C4'-P energy: -8.844
tors. eta vs tors. theta energy: -0.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -79.320858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.320858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.320858 (E_RNA)
where:
Base-Base interactions energy: -26.895
where: short stacking energy: -17.796
Base-Backbone interact. energy: -0.659
local terms energy: -51.766714
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -15.180
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: 3.440
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: 9, replica: 5
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -80.041533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.041533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.041533 (E_RNA)
where:
Base-Base interactions energy: -32.922
where: short stacking energy: -24.812
Base-Backbone interact. energy: 0.432
local terms energy: -47.551024
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -16.478
flat angles P-C4'-P energy: -5.280
tors. eta vs tors. theta energy: 3.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -73.450197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.450197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.450197 (E_RNA)
where:
Base-Base interactions energy: -36.758
where: short stacking energy: -31.455
Base-Backbone interact. energy: -0.534
local terms energy: -36.158048
where:
bonds (distance) C4'-P energy: -6.782
bonds (distance) P-C4' energy: -8.740
flat angles C4'-P-C4' energy: -7.221
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: -4.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -226.796653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.796653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.796653 (E_RNA)
where:
Base-Base interactions energy: -151.036
where: short stacking energy: -72.746
Base-Backbone interact. energy: -0.085
local terms energy: -75.675479
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -16.176
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -20.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -217.882301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.882301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.882301 (E_RNA)
where:
Base-Base interactions energy: -141.262
where: short stacking energy: -72.083
Base-Backbone interact. energy: -0.127
local terms energy: -76.493110
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -12.217
tors. eta vs tors. theta energy: -21.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -216.374152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.374152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.374152 (E_RNA)
where:
Base-Base interactions energy: -145.569
where: short stacking energy: -61.119
Base-Backbone interact. energy: 1.361
local terms energy: -72.165617
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -11.713
flat angles C4'-P-C4' energy: -14.896
flat angles P-C4'-P energy: -11.436
tors. eta vs tors. theta energy: -18.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -210.279874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.279874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.279874 (E_RNA)
where:
Base-Base interactions energy: -130.623
where: short stacking energy: -66.973
Base-Backbone interact. energy: -0.002
local terms energy: -79.654743
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -17.326
flat angles P-C4'-P energy: -7.593
tors. eta vs tors. theta energy: -21.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -172.674211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.674211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.674211 (E_RNA)
where:
Base-Base interactions energy: -105.461
where: short stacking energy: -56.372
Base-Backbone interact. energy: -0.042
local terms energy: -67.170345
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -9.419
tors. eta vs tors. theta energy: -14.416
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: 9
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -102.292511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.292511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.292511 (E_RNA)
where:
Base-Base interactions energy: -44.401
where: short stacking energy: -39.320
Base-Backbone interact. energy: 0.519
local terms energy: -58.410712
where:
bonds (distance) C4'-P energy: -17.584
bonds (distance) P-C4' energy: -14.040
flat angles C4'-P-C4' energy: -12.951
flat angles P-C4'-P energy: -6.436
tors. eta vs tors. theta energy: -7.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -84.370212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.370212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.370212 (E_RNA)
where:
Base-Base interactions energy: -37.905
where: short stacking energy: -37.223
Base-Backbone interact. energy: -0.195
local terms energy: -46.269780
where:
bonds (distance) C4'-P energy: -7.189
bonds (distance) P-C4' energy: -11.725
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -3.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -94.436306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.436306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.436306 (E_RNA)
where:
Base-Base interactions energy: -36.657
where: short stacking energy: -34.968
Base-Backbone interact. energy: 1.283
local terms energy: -59.062426
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -10.106
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -10.955
tors. eta vs tors. theta energy: -10.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -84.907172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.907172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.907172 (E_RNA)
where:
Base-Base interactions energy: -33.745
where: short stacking energy: -33.745
Base-Backbone interact. energy: -0.045
local terms energy: -51.117032
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -10.014
flat angles C4'-P-C4' energy: -15.988
flat angles P-C4'-P energy: -6.018
tors. eta vs tors. theta energy: -4.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -72.716857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.716857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.716857 (E_RNA)
where:
Base-Base interactions energy: -35.405
where: short stacking energy: -30.524
Base-Backbone interact. energy: -0.078
local terms energy: -37.234136
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -3.127
flat angles C4'-P-C4' energy: -7.144
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -4.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -218.854236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.854236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.854236 (E_RNA)
where:
Base-Base interactions energy: -136.584
where: short stacking energy: -71.787
Base-Backbone interact. energy: -1.412
local terms energy: -80.858180
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -15.375
tors. eta vs tors. theta energy: -20.237
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: 10
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -214.301457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.301457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.301457 (E_RNA)
where:
Base-Base interactions energy: -131.649
where: short stacking energy: -73.229
Base-Backbone interact. energy: -0.025
local terms energy: -82.627030
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -18.434
flat angles P-C4'-P energy: -9.943
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: 1
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -210.623499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.623499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.623499 (E_RNA)
where:
Base-Base interactions energy: -140.856
where: short stacking energy: -77.928
Base-Backbone interact. energy: -0.084
local terms energy: -69.683235
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -9.094
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -9.045
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: 4, replica: 6
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -218.268153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.268153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.268153 (E_RNA)
where:
Base-Base interactions energy: -141.187
where: short stacking energy: -73.462
Base-Backbone interact. energy: -0.065
local terms energy: -77.016801
where:
bonds (distance) C4'-P energy: -11.142
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -14.924
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -22.928
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: 97
Temperature: 1.100000
Total energy: -170.861180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.861180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.861180 (E_RNA)
where:
Base-Base interactions energy: -104.070
where: short stacking energy: -54.816
Base-Backbone interact. energy: -0.017
local terms energy: -66.774055
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -10.932
tors. eta vs tors. theta energy: -10.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -94.685044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.685044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.685044 (E_RNA)
where:
Base-Base interactions energy: -33.431
where: short stacking energy: -33.431
Base-Backbone interact. energy: -0.087
local terms energy: -61.167363
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -14.256
flat angles P-C4'-P energy: -10.863
tors. eta vs tors. theta energy: -8.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -88.266808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.266808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.266808 (E_RNA)
where:
Base-Base interactions energy: -33.257
where: short stacking energy: -29.975
Base-Backbone interact. energy: -0.153
local terms energy: -54.857386
where:
bonds (distance) C4'-P energy: -16.027
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -11.338
flat angles P-C4'-P energy: -11.182
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: 8, replica: 7
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -108.604160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.604160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.604160 (E_RNA)
where:
Base-Base interactions energy: -49.208
where: short stacking energy: -39.701
Base-Backbone interact. energy: -0.051
local terms energy: -59.345354
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -11.564
flat angles C4'-P-C4' energy: -16.576
flat angles P-C4'-P energy: -9.039
tors. eta vs tors. theta energy: -11.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -77.668648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.668648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.668648 (E_RNA)
where:
Base-Base interactions energy: -32.938
where: short stacking energy: -16.485
Base-Backbone interact. energy: 2.152
local terms energy: -46.882591
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -14.617
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -6.043
tors. eta vs tors. theta energy: 1.195
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: 5
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -75.034628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.034628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.034628 (E_RNA)
where:
Base-Base interactions energy: -33.281
where: short stacking energy: -26.759
Base-Backbone interact. energy: -0.159
local terms energy: -41.594080
where:
bonds (distance) C4'-P energy: -9.159
bonds (distance) P-C4' energy: -15.094
flat angles C4'-P-C4' energy: -4.559
flat angles P-C4'-P energy: -6.892
tors. eta vs tors. theta energy: -5.891
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: 10
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -217.359079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.359079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.359079 (E_RNA)
where:
Base-Base interactions energy: -133.650
where: short stacking energy: -71.819
Base-Backbone interact. energy: -0.454
local terms energy: -83.255004
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -16.208
flat angles C4'-P-C4' energy: -17.201
flat angles P-C4'-P energy: -12.267
tors. eta vs tors. theta energy: -21.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -212.587866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.587866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.587866 (E_RNA)
where:
Base-Base interactions energy: -141.328
where: short stacking energy: -59.511
Base-Backbone interact. energy: -0.009
local terms energy: -71.251088
where:
bonds (distance) C4'-P energy: -10.849
bonds (distance) P-C4' energy: -10.911
flat angles C4'-P-C4' energy: -15.878
flat angles P-C4'-P energy: -13.044
tors. eta vs tors. theta energy: -20.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -212.041714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.041714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.041714 (E_RNA)
where:
Base-Base interactions energy: -132.822
where: short stacking energy: -64.253
Base-Backbone interact. energy: -0.004
local terms energy: -79.215893
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -14.450
flat angles C4'-P-C4' energy: -17.339
flat angles P-C4'-P energy: -12.692
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: 4, replica: 6
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -206.548889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.548889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.548889 (E_RNA)
where:
Base-Base interactions energy: -129.675
where: short stacking energy: -63.950
Base-Backbone interact. energy: 0.143
local terms energy: -77.016881
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -14.259
flat angles C4'-P-C4' energy: -16.026
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -21.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -166.618368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.618368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.618368 (E_RNA)
where:
Base-Base interactions energy: -104.042
where: short stacking energy: -48.977
Base-Backbone interact. energy: -0.025
local terms energy: -62.551296
where:
bonds (distance) C4'-P energy: -10.542
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -9.694
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: 9
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -102.806947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.806947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.806947 (E_RNA)
where:
Base-Base interactions energy: -48.579
where: short stacking energy: -45.787
Base-Backbone interact. energy: 1.555
local terms energy: -55.783018
where:
bonds (distance) C4'-P energy: -9.304
bonds (distance) P-C4' energy: -9.713
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -10.509
tors. eta vs tors. theta energy: -11.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -91.785511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.785511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.785511 (E_RNA)
where:
Base-Base interactions energy: -40.334
where: short stacking energy: -39.917
Base-Backbone interact. energy: 0.037
local terms energy: -51.488982
where:
bonds (distance) C4'-P energy: -11.184
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -10.156
flat angles P-C4'-P energy: -5.600
tors. eta vs tors. theta energy: -6.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -88.485417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.485417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.485417 (E_RNA)
where:
Base-Base interactions energy: -39.254
where: short stacking energy: -34.643
Base-Backbone interact. energy: -0.044
local terms energy: -49.187254
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -9.833
flat angles P-C4'-P energy: -8.940
tors. eta vs tors. theta energy: -2.810
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: 5
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -90.793407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.793407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.793407 (E_RNA)
where:
Base-Base interactions energy: -42.632
where: short stacking energy: -22.741
Base-Backbone interact. energy: -0.126
local terms energy: -48.034669
where:
bonds (distance) C4'-P energy: -12.702
bonds (distance) P-C4' energy: -14.076
flat angles C4'-P-C4' energy: -13.092
flat angles P-C4'-P energy: -3.574
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: 10, replica: 8
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -79.612220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.612220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.612220 (E_RNA)
where:
Base-Base interactions energy: -25.336
where: short stacking energy: -22.188
Base-Backbone interact. energy: -0.607
local terms energy: -53.668696
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -13.016
tors. eta vs tors. theta energy: 2.030
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: 10
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -219.513031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.513031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.513031 (E_RNA)
where:
Base-Base interactions energy: -135.406
where: short stacking energy: -70.140
Base-Backbone interact. energy: -0.062
local terms energy: -84.044975
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -17.294
flat angles P-C4'-P energy: -13.082
tors. eta vs tors. theta energy: -20.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -222.070713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.070713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.070713 (E_RNA)
where:
Base-Base interactions energy: -141.872
where: short stacking energy: -72.635
Base-Backbone interact. energy: -0.005
local terms energy: -80.194148
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -13.993
flat angles C4'-P-C4' energy: -16.384
flat angles P-C4'-P energy: -13.514
tors. eta vs tors. theta energy: -19.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -212.924353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.924353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.924353 (E_RNA)
where:
Base-Base interactions energy: -135.530
where: short stacking energy: -73.326
Base-Backbone interact. energy: -0.091
local terms energy: -77.303066
where:
bonds (distance) C4'-P energy: -16.718
bonds (distance) P-C4' energy: -14.999
flat angles C4'-P-C4' energy: -14.767
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: -21.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -198.341436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.341436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.341436 (E_RNA)
where:
Base-Base interactions energy: -127.026
where: short stacking energy: -69.188
Base-Backbone interact. energy: -0.403
local terms energy: -70.912908
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -16.500
flat angles P-C4'-P energy: -8.333
tors. eta vs tors. theta energy: -18.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -211.748239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.748239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.748239 (E_RNA)
where:
Base-Base interactions energy: -136.323
where: short stacking energy: -70.532
Base-Backbone interact. energy: -0.006
local terms energy: -75.418755
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -12.595
flat angles C4'-P-C4' energy: -15.743
flat angles P-C4'-P energy: -11.707
tors. eta vs tors. theta energy: -20.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -94.386047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.386047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.386047 (E_RNA)
where:
Base-Base interactions energy: -39.576
where: short stacking energy: -37.735
Base-Backbone interact. energy: -0.113
local terms energy: -54.697234
where:
bonds (distance) C4'-P energy: -11.143
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -10.296
flat angles P-C4'-P energy: -9.692
tors. eta vs tors. theta energy: -7.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -110.480830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.480830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.480830 (E_RNA)
where:
Base-Base interactions energy: -47.792
where: short stacking energy: -44.757
Base-Backbone interact. energy: -0.225
local terms energy: -62.463940
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -10.687
tors. eta vs tors. theta energy: -7.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -104.226047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.226047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.226047 (E_RNA)
where:
Base-Base interactions energy: -51.109
where: short stacking energy: -38.954
Base-Backbone interact. energy: -0.598
local terms energy: -52.518640
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -11.921
flat angles C4'-P-C4' energy: -10.781
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -6.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -77.905864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.905864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.905864 (E_RNA)
where:
Base-Base interactions energy: -37.048
where: short stacking energy: -26.302
Base-Backbone interact. energy: -0.144
local terms energy: -40.713123
where:
bonds (distance) C4'-P energy: -8.712
bonds (distance) P-C4' energy: -16.054
flat angles C4'-P-C4' energy: -11.289
flat angles P-C4'-P energy: -2.984
tors. eta vs tors. theta energy: -1.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -78.105568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.105568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.105568 (E_RNA)
where:
Base-Base interactions energy: -31.184
where: short stacking energy: -28.647
Base-Backbone interact. energy: 0.750
local terms energy: -47.672092
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -12.523
flat angles C4'-P-C4' energy: -13.659
flat angles P-C4'-P energy: -7.278
tors. eta vs tors. theta energy: 2.283
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: 10
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -222.395912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.395912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.395912 (E_RNA)
where:
Base-Base interactions energy: -145.800
where: short stacking energy: -71.951
Base-Backbone interact. energy: -0.081
local terms energy: -76.514872
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -14.633
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -11.827
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: 1
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -215.391873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.391873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.391873 (E_RNA)
where:
Base-Base interactions energy: -143.314
where: short stacking energy: -65.248
Base-Backbone interact. energy: -0.117
local terms energy: -71.960819
where:
bonds (distance) C4'-P energy: -7.913
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -17.831
flat angles P-C4'-P energy: -11.752
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: 3, replica: 4
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -211.236655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.236655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.236655 (E_RNA)
where:
Base-Base interactions energy: -140.715
where: short stacking energy: -72.762
Base-Backbone interact. energy: -0.830
local terms energy: -69.691395
where:
bonds (distance) C4'-P energy: -10.339
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -16.144
flat angles P-C4'-P energy: -9.289
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: 4, replica: 2
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -195.723231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.723231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.723231 (E_RNA)
where:
Base-Base interactions energy: -128.039
where: short stacking energy: -59.699
Base-Backbone interact. energy: -0.048
local terms energy: -67.636129
where:
bonds (distance) C4'-P energy: -18.147
bonds (distance) P-C4' energy: -14.432
flat angles C4'-P-C4' energy: -9.687
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -15.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -204.474054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.474054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.474054 (E_RNA)
where:
Base-Base interactions energy: -134.854
where: short stacking energy: -66.881
Base-Backbone interact. energy: -0.007
local terms energy: -69.613401
where:
bonds (distance) C4'-P energy: -10.146
bonds (distance) P-C4' energy: -14.246
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -11.837
tors. eta vs tors. theta energy: -18.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -105.098034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.098034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.098034 (E_RNA)
where:
Base-Base interactions energy: -53.515
where: short stacking energy: -40.390
Base-Backbone interact. energy: -0.084
local terms energy: -51.498503
where:
bonds (distance) C4'-P energy: -9.950
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -12.690
flat angles P-C4'-P energy: -4.886
tors. eta vs tors. theta energy: -8.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -89.290434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.290434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.290434 (E_RNA)
where:
Base-Base interactions energy: -43.865
where: short stacking energy: -22.631
Base-Backbone interact. energy: 0.350
local terms energy: -45.776100
where:
bonds (distance) C4'-P energy: -11.066
bonds (distance) P-C4' energy: -14.683
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -5.397
tors. eta vs tors. theta energy: -0.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -90.218570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.218570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.218570 (E_RNA)
where:
Base-Base interactions energy: -32.805
where: short stacking energy: -32.162
Base-Backbone interact. energy: -0.821
local terms energy: -56.593362
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -13.317
flat angles C4'-P-C4' energy: -8.955
flat angles P-C4'-P energy: -11.173
tors. eta vs tors. theta energy: -9.000
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: 8
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -83.663745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.663745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.663745 (E_RNA)
where:
Base-Base interactions energy: -31.037
where: short stacking energy: -30.000
Base-Backbone interact. energy: 0.493
local terms energy: -53.119039
where:
bonds (distance) C4'-P energy: -10.948
bonds (distance) P-C4' energy: -11.298
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -7.184
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: 100
Temperature: 1.350000
Total energy: -75.692973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.692973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.692973 (E_RNA)
where:
Base-Base interactions energy: -23.111
where: short stacking energy: -23.070
Base-Backbone interact. energy: -0.250
local terms energy: -52.332493
where:
bonds (distance) C4'-P energy: -8.961
bonds (distance) P-C4' energy: -17.124
flat angles C4'-P-C4' energy: -12.400
flat angles P-C4'-P energy: -7.646
tors. eta vs tors. theta energy: -6.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -221.404993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.404993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.404993 (E_RNA)
where:
Base-Base interactions energy: -138.700
where: short stacking energy: -67.653
Base-Backbone interact. energy: -0.010
local terms energy: -82.694864
where:
bonds (distance) C4'-P energy: -12.830
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -14.386
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: 2, replica: 4
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -215.118520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.118520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.118520 (E_RNA)
where:
Base-Base interactions energy: -135.800
where: short stacking energy: -68.768
Base-Backbone interact. energy: -0.003
local terms energy: -79.315745
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -17.754
flat angles C4'-P-C4' energy: -14.282
flat angles P-C4'-P energy: -13.980
tors. eta vs tors. theta energy: -17.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -217.136832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.136832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.136832 (E_RNA)
where:
Base-Base interactions energy: -136.271
where: short stacking energy: -63.539
Base-Backbone interact. energy: -0.328
local terms energy: -80.538541
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -15.342
flat angles C4'-P-C4' energy: -16.364
flat angles P-C4'-P energy: -11.263
tors. eta vs tors. theta energy: -20.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -199.154237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.154237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.154237 (E_RNA)
where:
Base-Base interactions energy: -125.861
where: short stacking energy: -61.180
Base-Backbone interact. energy: 0.339
local terms energy: -73.632767
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -13.295
flat angles C4'-P-C4' energy: -17.635
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -19.409
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: 2
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -192.504739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.504739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.504739 (E_RNA)
where:
Base-Base interactions energy: -125.909
where: short stacking energy: -65.093
Base-Backbone interact. energy: -0.106
local terms energy: -66.489882
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -8.777
tors. eta vs tors. theta energy: -16.789
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: 6, replica: 5
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -107.882959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.882959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.882959 (E_RNA)
where:
Base-Base interactions energy: -53.465
where: short stacking energy: -29.900
Base-Backbone interact. energy: 1.909
local terms energy: -56.326974
where:
bonds (distance) C4'-P energy: -15.352
bonds (distance) P-C4' energy: -16.483
flat angles C4'-P-C4' energy: -16.258
flat angles P-C4'-P energy: -5.046
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: 7, replica: 7
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -90.100660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.100660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.100660 (E_RNA)
where:
Base-Base interactions energy: -29.746
where: short stacking energy: -29.746
Base-Backbone interact. energy: -0.308
local terms energy: -60.047108
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -11.414
flat angles P-C4'-P energy: -11.469
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: 9
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -78.978956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.978956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.978956 (E_RNA)
where:
Base-Base interactions energy: -25.721
where: short stacking energy: -25.721
Base-Backbone interact. energy: -0.027
local terms energy: -53.231215
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -12.018
flat angles C4'-P-C4' energy: -15.595
flat angles P-C4'-P energy: -8.311
tors. eta vs tors. theta energy: -1.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -85.232807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.232807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.232807 (E_RNA)
where:
Base-Base interactions energy: -25.409
where: short stacking energy: -24.104
Base-Backbone interact. energy: -0.052
local terms energy: -59.771377
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -15.131
flat angles P-C4'-P energy: -7.638
tors. eta vs tors. theta energy: -6.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -83.248909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.248909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.248909 (E_RNA)
where:
Base-Base interactions energy: -41.841
where: short stacking energy: -25.093
Base-Backbone interact. energy: -0.203
local terms energy: -41.205270
where:
bonds (distance) C4'-P energy: -10.278
bonds (distance) P-C4' energy: -10.820
flat angles C4'-P-C4' energy: -12.584
flat angles P-C4'-P energy: -3.103
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: 1, replica: 10
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -212.060998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.060998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.060998 (E_RNA)
where:
Base-Base interactions energy: -138.619
where: short stacking energy: -68.905
Base-Backbone interact. energy: -0.014
local terms energy: -73.427713
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -11.493
flat angles C4'-P-C4' energy: -16.950
flat angles P-C4'-P energy: -11.811
tors. eta vs tors. theta energy: -17.339
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: 2, replica: 4
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -213.797054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.797054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.797054 (E_RNA)
where:
Base-Base interactions energy: -136.682
where: short stacking energy: -73.739
Base-Backbone interact. energy: -0.010
local terms energy: -77.105880
where:
bonds (distance) C4'-P energy: -16.637
bonds (distance) P-C4' energy: -12.825
flat angles C4'-P-C4' energy: -17.392
flat angles P-C4'-P energy: -8.867
tors. eta vs tors. theta energy: -21.385
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: 3, replica: 6
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -208.271630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.271630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.271630 (E_RNA)
where:
Base-Base interactions energy: -131.208
where: short stacking energy: -65.794
Base-Backbone interact. energy: -0.325
local terms energy: -76.738431
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -15.969
flat angles P-C4'-P energy: -8.364
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: 1
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -200.138461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.138461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.138461 (E_RNA)
where:
Base-Base interactions energy: -123.154
where: short stacking energy: -66.282
Base-Backbone interact. energy: -0.008
local terms energy: -76.976565
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -15.699
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: -21.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -206.010783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.010783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.010783 (E_RNA)
where:
Base-Base interactions energy: -127.494
where: short stacking energy: -60.175
Base-Backbone interact. energy: -0.183
local terms energy: -78.334064
where:
bonds (distance) C4'-P energy: -12.375
bonds (distance) P-C4' energy: -17.116
flat angles C4'-P-C4' energy: -17.597
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -19.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -104.654616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.654616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.654616 (E_RNA)
where:
Base-Base interactions energy: -58.690
where: short stacking energy: -41.807
Base-Backbone interact. energy: -0.198
local terms energy: -45.766533
where:
bonds (distance) C4'-P energy: -11.109
bonds (distance) P-C4' energy: -9.629
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -4.426
tors. eta vs tors. theta energy: -5.116
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: 9
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -81.925829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.925829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.925829 (E_RNA)
where:
Base-Base interactions energy: -37.041
where: short stacking energy: -34.339
Base-Backbone interact. energy: -0.095
local terms energy: -44.789733
where:
bonds (distance) C4'-P energy: -8.050
bonds (distance) P-C4' energy: -13.334
flat angles C4'-P-C4' energy: -11.426
flat angles P-C4'-P energy: -8.962
tors. eta vs tors. theta energy: -3.017
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: 7
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -90.080919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.080919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.080919 (E_RNA)
where:
Base-Base interactions energy: -33.600
where: short stacking energy: -27.341
Base-Backbone interact. energy: -0.016
local terms energy: -56.464977
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -11.591
flat angles C4'-P-C4' energy: -13.915
flat angles P-C4'-P energy: -8.524
tors. eta vs tors. theta energy: -8.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -69.922979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.922979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.922979 (E_RNA)
where:
Base-Base interactions energy: -34.779
where: short stacking energy: -24.922
Base-Backbone interact. energy: -0.161
local terms energy: -34.982729
where:
bonds (distance) C4'-P energy: -11.578
bonds (distance) P-C4' energy: -10.995
flat angles C4'-P-C4' energy: -7.664
flat angles P-C4'-P energy: -4.233
tors. eta vs tors. theta energy: -0.512
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: 8
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -78.868595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.868595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.868595 (E_RNA)
where:
Base-Base interactions energy: -26.804
where: short stacking energy: -27.053
Base-Backbone interact. energy: -0.087
local terms energy: -51.978138
where:
bonds (distance) C4'-P energy: -15.259
bonds (distance) P-C4' energy: -14.677
flat angles C4'-P-C4' energy: -14.060
flat angles P-C4'-P energy: -6.785
tors. eta vs tors. theta energy: -1.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -218.264359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.264359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.264359 (E_RNA)
where:
Base-Base interactions energy: -135.112
where: short stacking energy: -71.276
Base-Backbone interact. energy: -0.213
local terms energy: -82.939566
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -16.619
flat angles C4'-P-C4' energy: -17.500
flat angles P-C4'-P energy: -11.158
tors. eta vs tors. theta energy: -22.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -216.556906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.556906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.556906 (E_RNA)
where:
Base-Base interactions energy: -137.797
where: short stacking energy: -73.112
Base-Backbone interact. energy: -0.001
local terms energy: -78.759267
where:
bonds (distance) C4'-P energy: -17.378
bonds (distance) P-C4' energy: -13.465
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -11.594
tors. eta vs tors. theta energy: -20.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -209.506350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.506350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.506350 (E_RNA)
where:
Base-Base interactions energy: -135.043
where: short stacking energy: -62.388
Base-Backbone interact. energy: -1.087
local terms energy: -73.376324
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -16.339
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: -16.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -203.953316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.953316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.953316 (E_RNA)
where:
Base-Base interactions energy: -130.029
where: short stacking energy: -66.639
Base-Backbone interact. energy: -0.690
local terms energy: -73.233958
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -16.253
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -17.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -200.933429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.933429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.933429 (E_RNA)
where:
Base-Base interactions energy: -128.368
where: short stacking energy: -57.612
Base-Backbone interact. energy: -0.479
local terms energy: -72.086716
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -15.784
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -15.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -101.037665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.037665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.037665 (E_RNA)
where:
Base-Base interactions energy: -42.563
where: short stacking energy: -29.149
Base-Backbone interact. energy: -0.007
local terms energy: -58.467281
where:
bonds (distance) C4'-P energy: -14.812
bonds (distance) P-C4' energy: -11.437
flat angles C4'-P-C4' energy: -15.435
flat angles P-C4'-P energy: -7.964
tors. eta vs tors. theta energy: -8.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -84.142926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.142926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.142926 (E_RNA)
where:
Base-Base interactions energy: -30.986
where: short stacking energy: -19.659
Base-Backbone interact. energy: 0.538
local terms energy: -53.695312
where:
bonds (distance) C4'-P energy: -13.418
bonds (distance) P-C4' energy: -11.915
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -12.453
tors. eta vs tors. theta energy: 0.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -78.418240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.418240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.418240 (E_RNA)
where:
Base-Base interactions energy: -39.221
where: short stacking energy: -18.710
Base-Backbone interact. energy: 0.507
local terms energy: -39.704195
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -12.389
flat angles C4'-P-C4' energy: -11.094
flat angles P-C4'-P energy: -4.399
tors. eta vs tors. theta energy: 4.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -88.703496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.703496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.703496 (E_RNA)
where:
Base-Base interactions energy: -39.406
where: short stacking energy: -32.411
Base-Backbone interact. energy: -0.221
local terms energy: -49.076224
where:
bonds (distance) C4'-P energy: -6.976
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -12.538
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -6.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -89.641024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.641024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.641024 (E_RNA)
where:
Base-Base interactions energy: -44.957
where: short stacking energy: -15.991
Base-Backbone interact. energy: -0.125
local terms energy: -44.559345
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -11.873
flat angles C4'-P-C4' energy: -10.441
flat angles P-C4'-P energy: -5.061
tors. eta vs tors. theta energy: -1.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -216.925274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.925274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.925274 (E_RNA)
where:
Base-Base interactions energy: -140.413
where: short stacking energy: -66.606
Base-Backbone interact. energy: -0.280
local terms energy: -76.231851
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -16.607
flat angles P-C4'-P energy: -11.499
tors. eta vs tors. theta energy: -17.512
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: 2, replica: 10
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -217.327546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.327546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.327546 (E_RNA)
where:
Base-Base interactions energy: -132.140
where: short stacking energy: -71.035
Base-Backbone interact. energy: -0.033
local terms energy: -85.154805
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -15.087
tors. eta vs tors. theta energy: -23.762
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: 6
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -211.431818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.431818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.431818 (E_RNA)
where:
Base-Base interactions energy: -137.806
where: short stacking energy: -65.660
Base-Backbone interact. energy: -0.993
local terms energy: -72.632477
where:
bonds (distance) C4'-P energy: -11.300
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -16.873
flat angles P-C4'-P energy: -10.836
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: 4, replica: 2
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -198.967554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.967554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.967554 (E_RNA)
where:
Base-Base interactions energy: -123.988
where: short stacking energy: -61.624
Base-Backbone interact. energy: -0.064
local terms energy: -74.916238
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -17.506
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: -16.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -196.584456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.584456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.584456 (E_RNA)
where:
Base-Base interactions energy: -126.292
where: short stacking energy: -67.807
Base-Backbone interact. energy: -0.540
local terms energy: -69.753136
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -8.999
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -10.476
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: 6, replica: 5
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -123.957638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.957638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.957638 (E_RNA)
where:
Base-Base interactions energy: -72.553
where: short stacking energy: -34.065
Base-Backbone interact. energy: -0.207
local terms energy: -51.197767
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -10.912
flat angles C4'-P-C4' energy: -9.139
flat angles P-C4'-P energy: -9.251
tors. eta vs tors. theta energy: -7.843
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: 9
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -86.681529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.681529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.681529 (E_RNA)
where:
Base-Base interactions energy: -31.769
where: short stacking energy: -26.032
Base-Backbone interact. energy: -0.002
local terms energy: -54.910637
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -13.868
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -10.813
tors. eta vs tors. theta energy: -2.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -82.014960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.014960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.014960 (E_RNA)
where:
Base-Base interactions energy: -33.547
where: short stacking energy: -19.582
Base-Backbone interact. energy: -0.014
local terms energy: -48.453426
where:
bonds (distance) C4'-P energy: -12.291
bonds (distance) P-C4' energy: -13.949
flat angles C4'-P-C4' energy: -10.337
flat angles P-C4'-P energy: -8.824
tors. eta vs tors. theta energy: -3.053
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: 9, replica: 8
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -95.448005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.448005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.448005 (E_RNA)
where:
Base-Base interactions energy: -40.041
where: short stacking energy: -40.041
Base-Backbone interact. energy: -0.049
local terms energy: -55.357706
where:
bonds (distance) C4'-P energy: -13.910
bonds (distance) P-C4' energy: -13.391
flat angles C4'-P-C4' energy: -9.601
flat angles P-C4'-P energy: -7.454
tors. eta vs tors. theta energy: -11.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -75.371345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.371345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.371345 (E_RNA)
where:
Base-Base interactions energy: -24.708
where: short stacking energy: -17.499
Base-Backbone interact. energy: -0.318
local terms energy: -50.345330
where:
bonds (distance) C4'-P energy: -11.739
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -9.522
flat angles P-C4'-P energy: -11.753
tors. eta vs tors. theta energy: -1.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -213.708309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.708309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.708309 (E_RNA)
where:
Base-Base interactions energy: -142.603
where: short stacking energy: -63.820
Base-Backbone interact. energy: -0.437
local terms energy: -70.668699
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -14.066
flat angles C4'-P-C4' energy: -18.528
flat angles P-C4'-P energy: -9.163
tors. eta vs tors. theta energy: -15.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -214.700076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.700076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.700076 (E_RNA)
where:
Base-Base interactions energy: -137.613
where: short stacking energy: -64.011
Base-Backbone interact. energy: -0.375
local terms energy: -76.712025
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -15.868
flat angles P-C4'-P energy: -11.840
tors. eta vs tors. theta energy: -18.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -208.484197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.484197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.484197 (E_RNA)
where:
Base-Base interactions energy: -132.672
where: short stacking energy: -60.753
Base-Backbone interact. energy: -0.006
local terms energy: -75.805591
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -17.065
flat angles C4'-P-C4' energy: -16.066
flat angles P-C4'-P energy: -12.482
tors. eta vs tors. theta energy: -18.629
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: 1
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -184.967168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.967168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.967168 (E_RNA)
where:
Base-Base interactions energy: -118.450
where: short stacking energy: -54.246
Base-Backbone interact. energy: 2.120
local terms energy: -68.637142
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -14.966
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -6.613
tors. eta vs tors. theta energy: -14.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -195.225231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.225231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.225231 (E_RNA)
where:
Base-Base interactions energy: -128.396
where: short stacking energy: -61.741
Base-Backbone interact. energy: 0.873
local terms energy: -67.702641
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -13.983
flat angles P-C4'-P energy: -6.159
tors. eta vs tors. theta energy: -18.590
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: 5
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -128.061146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.061146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.061146 (E_RNA)
where:
Base-Base interactions energy: -68.172
where: short stacking energy: -36.202
Base-Backbone interact. energy: -0.229
local terms energy: -59.660066
where:
bonds (distance) C4'-P energy: -14.743
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -6.225
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: 7, replica: 9
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -88.448537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.448537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.448537 (E_RNA)
where:
Base-Base interactions energy: -33.101
where: short stacking energy: -33.101
Base-Backbone interact. energy: 0.449
local terms energy: -55.796649
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -13.008
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: -7.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -110.445513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.445513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.445513 (E_RNA)
where:
Base-Base interactions energy: -51.849
where: short stacking energy: -27.665
Base-Backbone interact. energy: -0.215
local terms energy: -58.382252
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -10.713
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: -8.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -78.294643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.294643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.294643 (E_RNA)
where:
Base-Base interactions energy: -19.084
where: short stacking energy: -19.084
Base-Backbone interact. energy: -0.070
local terms energy: -59.140534
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -17.371
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -13.363
tors. eta vs tors. theta energy: -1.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -85.079793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.079793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.079793 (E_RNA)
where:
Base-Base interactions energy: -32.573
where: short stacking energy: -32.573
Base-Backbone interact. energy: -0.097
local terms energy: -52.410237
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -13.004
flat angles P-C4'-P energy: -5.356
tors. eta vs tors. theta energy: -4.499
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: 4
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -214.818404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.818404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.818404 (E_RNA)
where:
Base-Base interactions energy: -138.774
where: short stacking energy: -69.624
Base-Backbone interact. energy: -0.738
local terms energy: -75.306084
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -15.665
flat angles P-C4'-P energy: -10.096
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: 2, replica: 6
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -210.824804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.824804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.824804 (E_RNA)
where:
Base-Base interactions energy: -140.182
where: short stacking energy: -69.992
Base-Backbone interact. energy: -1.828
local terms energy: -68.814497
where:
bonds (distance) C4'-P energy: -14.034
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -13.031
flat angles P-C4'-P energy: -7.136
tors. eta vs tors. theta energy: -19.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -203.777559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.777559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.777559 (E_RNA)
where:
Base-Base interactions energy: -138.469
where: short stacking energy: -61.496
Base-Backbone interact. energy: -0.133
local terms energy: -65.175143
where:
bonds (distance) C4'-P energy: -11.497
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -16.364
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -11.653
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: 1
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -194.252969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.252969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.252969 (E_RNA)
where:
Base-Base interactions energy: -120.051
where: short stacking energy: -56.957
Base-Backbone interact. energy: -0.077
local terms energy: -74.125502
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -14.766
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -11.686
tors. eta vs tors. theta energy: -14.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -197.914262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.914262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.914262 (E_RNA)
where:
Base-Base interactions energy: -128.437
where: short stacking energy: -61.893
Base-Backbone interact. energy: -0.097
local terms energy: -69.379584
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -12.324
flat angles C4'-P-C4' energy: -13.790
flat angles P-C4'-P energy: -9.797
tors. eta vs tors. theta energy: -20.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -120.787758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.787758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.787758 (E_RNA)
where:
Base-Base interactions energy: -64.962
where: short stacking energy: -37.320
Base-Backbone interact. energy: -0.102
local terms energy: -55.723184
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -14.708
flat angles C4'-P-C4' energy: -10.904
flat angles P-C4'-P energy: -10.145
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: 7, replica: 8
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -100.216183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.216183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.216183 (E_RNA)
where:
Base-Base interactions energy: -48.463
where: short stacking energy: -25.779
Base-Backbone interact. energy: -0.065
local terms energy: -51.687924
where:
bonds (distance) C4'-P energy: -6.281
bonds (distance) P-C4' energy: -13.503
flat angles C4'-P-C4' energy: -16.433
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: -5.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -94.698586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.698586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.698586 (E_RNA)
where:
Base-Base interactions energy: -39.631
where: short stacking energy: -37.685
Base-Backbone interact. energy: -0.051
local terms energy: -55.016859
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -14.875
flat angles P-C4'-P energy: -9.390
tors. eta vs tors. theta energy: -2.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -75.240949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.240949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.240949 (E_RNA)
where:
Base-Base interactions energy: -25.796
where: short stacking energy: -19.350
Base-Backbone interact. energy: -0.162
local terms energy: -49.283557
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -15.410
flat angles C4'-P-C4' energy: -11.040
flat angles P-C4'-P energy: -7.211
tors. eta vs tors. theta energy: 0.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -84.817981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.817981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.817981 (E_RNA)
where:
Base-Base interactions energy: -27.588
where: short stacking energy: -27.588
Base-Backbone interact. energy: -0.002
local terms energy: -57.228448
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -14.174
flat angles P-C4'-P energy: -7.083
tors. eta vs tors. theta energy: -6.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -215.446830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.446830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.446830 (E_RNA)
where:
Base-Base interactions energy: -144.591
where: short stacking energy: -65.591
Base-Backbone interact. energy: 0.546
local terms energy: -71.402069
where:
bonds (distance) C4'-P energy: -11.986
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -11.750
tors. eta vs tors. theta energy: -17.925
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: 10
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -214.337008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.337008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.337008 (E_RNA)
where:
Base-Base interactions energy: -131.154
where: short stacking energy: -65.439
Base-Backbone interact. energy: -0.025
local terms energy: -83.158233
where:
bonds (distance) C4'-P energy: -14.627
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -18.060
flat angles P-C4'-P energy: -14.523
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: 3, replica: 6
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -210.367472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.367472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.367472 (E_RNA)
where:
Base-Base interactions energy: -137.381
where: short stacking energy: -69.086
Base-Backbone interact. energy: -0.025
local terms energy: -72.961597
where:
bonds (distance) C4'-P energy: -12.653
bonds (distance) P-C4' energy: -12.333
flat angles C4'-P-C4' energy: -15.674
flat angles P-C4'-P energy: -11.848
tors. eta vs tors. theta energy: -20.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -183.142877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.142877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.142877 (E_RNA)
where:
Base-Base interactions energy: -118.000
where: short stacking energy: -56.753
Base-Backbone interact. energy: -0.060
local terms energy: -65.082171
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -14.396
flat angles P-C4'-P energy: -7.756
tors. eta vs tors. theta energy: -13.362
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: 1
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -180.757680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.757680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.757680 (E_RNA)
where:
Base-Base interactions energy: -116.537
where: short stacking energy: -55.319
Base-Backbone interact. energy: -0.956
local terms energy: -63.264642
where:
bonds (distance) C4'-P energy: -15.219
bonds (distance) P-C4' energy: -13.851
flat angles C4'-P-C4' energy: -14.280
flat angles P-C4'-P energy: -3.933
tors. eta vs tors. theta energy: -15.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -99.574856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.574856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.574856 (E_RNA)
where:
Base-Base interactions energy: -41.302
where: short stacking energy: -26.414
Base-Backbone interact. energy: -0.217
local terms energy: -58.056092
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -16.040
flat angles P-C4'-P energy: -11.936
tors. eta vs tors. theta energy: -2.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -101.646577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.646577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.646577 (E_RNA)
where:
Base-Base interactions energy: -56.065
where: short stacking energy: -29.996
Base-Backbone interact. energy: -0.011
local terms energy: -45.570649
where:
bonds (distance) C4'-P energy: -14.917
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -4.475
flat angles P-C4'-P energy: -6.205
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: 8, replica: 7
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -78.477943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.477943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.477943 (E_RNA)
where:
Base-Base interactions energy: -34.353
where: short stacking energy: -33.516
Base-Backbone interact. energy: -0.192
local terms energy: -43.932123
where:
bonds (distance) C4'-P energy: -12.528
bonds (distance) P-C4' energy: -10.552
flat angles C4'-P-C4' energy: -9.133
flat angles P-C4'-P energy: -7.540
tors. eta vs tors. theta energy: -4.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -73.618339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.618339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.618339 (E_RNA)
where:
Base-Base interactions energy: -22.644
where: short stacking energy: -22.644
Base-Backbone interact. energy: -0.016
local terms energy: -50.958238
where:
bonds (distance) C4'-P energy: -8.978
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -9.571
flat angles P-C4'-P energy: -8.790
tors. eta vs tors. theta energy: -6.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -79.550497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.550497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.550497 (E_RNA)
where:
Base-Base interactions energy: -28.326
where: short stacking energy: -27.312
Base-Backbone interact. energy: -0.426
local terms energy: -50.798705
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -7.397
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: -4.641
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: 10
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -216.581667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.581667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.581667 (E_RNA)
where:
Base-Base interactions energy: -142.692
where: short stacking energy: -71.131
Base-Backbone interact. energy: -0.188
local terms energy: -73.701857
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -15.553
flat angles C4'-P-C4' energy: -16.214
flat angles P-C4'-P energy: -10.635
tors. eta vs tors. theta energy: -16.261
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: 4
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -216.086091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.086091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.086091 (E_RNA)
where:
Base-Base interactions energy: -139.492
where: short stacking energy: -68.533
Base-Backbone interact. energy: -0.039
local terms energy: -76.555446
where:
bonds (distance) C4'-P energy: -17.315
bonds (distance) P-C4' energy: -12.974
flat angles C4'-P-C4' energy: -13.999
flat angles P-C4'-P energy: -13.310
tors. eta vs tors. theta energy: -18.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -181.255200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.255200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.255200 (E_RNA)
where:
Base-Base interactions energy: -110.912
where: short stacking energy: -48.442
Base-Backbone interact. energy: -0.211
local terms energy: -70.132420
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -13.761
flat angles P-C4'-P energy: -13.819
tors. eta vs tors. theta energy: -13.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -208.580504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.580504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.580504 (E_RNA)
where:
Base-Base interactions energy: -131.433
where: short stacking energy: -65.377
Base-Backbone interact. energy: -0.310
local terms energy: -76.836919
where:
bonds (distance) C4'-P energy: -9.888
bonds (distance) P-C4' energy: -16.274
flat angles C4'-P-C4' energy: -16.495
flat angles P-C4'-P energy: -9.662
tors. eta vs tors. theta energy: -24.518
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: 1
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -196.781037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.781037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.781037 (E_RNA)
where:
Base-Base interactions energy: -133.594
where: short stacking energy: -66.203
Base-Backbone interact. energy: -0.041
local terms energy: -63.145239
where:
bonds (distance) C4'-P energy: -12.371
bonds (distance) P-C4' energy: -14.928
flat angles C4'-P-C4' energy: -12.303
flat angles P-C4'-P energy: -6.379
tors. eta vs tors. theta energy: -17.165
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: 8
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -102.044175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.044175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.044175 (E_RNA)
where:
Base-Base interactions energy: -39.133
where: short stacking energy: -40.533
Base-Backbone interact. energy: -0.280
local terms energy: -62.631527
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -14.047
flat angles P-C4'-P energy: -6.847
tors. eta vs tors. theta energy: -11.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -87.784564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.784564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.784564 (E_RNA)
where:
Base-Base interactions energy: -29.138
where: short stacking energy: -29.138
Base-Backbone interact. energy: -0.118
local terms energy: -58.528580
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -16.395
flat angles C4'-P-C4' energy: -17.169
flat angles P-C4'-P energy: -9.632
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: 8, replica: 5
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -94.124160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.124160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.124160 (E_RNA)
where:
Base-Base interactions energy: -37.760
where: short stacking energy: -30.859
Base-Backbone interact. energy: -0.127
local terms energy: -56.237473
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -14.741
flat angles C4'-P-C4' energy: -13.730
flat angles P-C4'-P energy: -7.003
tors. eta vs tors. theta energy: -8.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -81.697884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.697884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.697884 (E_RNA)
where:
Base-Base interactions energy: -32.500
where: short stacking energy: -32.500
Base-Backbone interact. energy: -0.124
local terms energy: -49.073348
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -13.114
flat angles C4'-P-C4' energy: -10.717
flat angles P-C4'-P energy: -5.795
tors. eta vs tors. theta energy: -6.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -80.137664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.137664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.137664 (E_RNA)
where:
Base-Base interactions energy: -25.621
where: short stacking energy: -23.103
Base-Backbone interact. energy: 1.337
local terms energy: -55.853488
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -8.327
tors. eta vs tors. theta energy: -4.278
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: 10
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -222.471121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.471121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.471121 (E_RNA)
where:
Base-Base interactions energy: -144.318
where: short stacking energy: -73.032
Base-Backbone interact. energy: 0.478
local terms energy: -78.631306
where:
bonds (distance) C4'-P energy: -11.792
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -17.919
flat angles P-C4'-P energy: -12.589
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: 2, replica: 4
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -223.200101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.200101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.200101 (E_RNA)
where:
Base-Base interactions energy: -142.094
where: short stacking energy: -71.215
Base-Backbone interact. energy: -0.250
local terms energy: -80.855811
where:
bonds (distance) C4'-P energy: -17.282
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -10.323
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: 3, replica: 2
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -186.492947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.492947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.492947 (E_RNA)
where:
Base-Base interactions energy: -120.086
where: short stacking energy: -59.719
Base-Backbone interact. energy: -0.015
local terms energy: -66.392483
where:
bonds (distance) C4'-P energy: -11.577
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -16.475
flat angles P-C4'-P energy: -10.358
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: 4, replica: 6
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -206.600342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.600342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.600342 (E_RNA)
where:
Base-Base interactions energy: -130.452
where: short stacking energy: -60.398
Base-Backbone interact. energy: 0.162
local terms energy: -76.310371
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -16.315
flat angles P-C4'-P energy: -10.668
tors. eta vs tors. theta energy: -20.345
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: 1
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -177.754808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.754808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.754808 (E_RNA)
where:
Base-Base interactions energy: -120.011
where: short stacking energy: -47.804
Base-Backbone interact. energy: -0.162
local terms energy: -57.581869
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -11.216
flat angles C4'-P-C4' energy: -12.669
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: -8.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -102.236781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.236781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.236781 (E_RNA)
where:
Base-Base interactions energy: -41.727
where: short stacking energy: -34.798
Base-Backbone interact. energy: -0.443
local terms energy: -60.066391
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -8.952
tors. eta vs tors. theta energy: -6.264
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: 109
Temperature: 1.200000
Total energy: -101.781746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.781746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.781746 (E_RNA)
where:
Base-Base interactions energy: -41.236
where: short stacking energy: -41.236
Base-Backbone interact. energy: -0.165
local terms energy: -60.381553
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -15.076
flat angles P-C4'-P energy: -6.843
tors. eta vs tors. theta energy: -10.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -79.254372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.254372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.254372 (E_RNA)
where:
Base-Base interactions energy: -33.127
where: short stacking energy: -33.127
Base-Backbone interact. energy: -0.312
local terms energy: -45.814581
where:
bonds (distance) C4'-P energy: -10.800
bonds (distance) P-C4' energy: -11.363
flat angles C4'-P-C4' energy: -9.945
flat angles P-C4'-P energy: -7.895
tors. eta vs tors. theta energy: -5.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -85.480988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.480988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.480988 (E_RNA)
where:
Base-Base interactions energy: -35.220
where: short stacking energy: -35.220
Base-Backbone interact. energy: 1.137
local terms energy: -51.397618
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -8.476
flat angles P-C4'-P energy: -12.631
tors. eta vs tors. theta energy: -2.174
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: 9
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -66.462967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.462967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.462967 (E_RNA)
where:
Base-Base interactions energy: -16.378
where: short stacking energy: -15.912
Base-Backbone interact. energy: -0.350
local terms energy: -49.735389
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -9.608
flat angles P-C4'-P energy: -11.919
tors. eta vs tors. theta energy: 4.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -221.264143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.264143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.264143 (E_RNA)
where:
Base-Base interactions energy: -140.483
where: short stacking energy: -71.227
Base-Backbone interact. energy: -0.021
local terms energy: -80.759637
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -13.580
flat angles P-C4'-P energy: -12.392
tors. eta vs tors. theta energy: -21.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -209.967286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.967286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.967286 (E_RNA)
where:
Base-Base interactions energy: -132.171
where: short stacking energy: -72.169
Base-Backbone interact. energy: -0.000
local terms energy: -77.795690
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -15.932
flat angles P-C4'-P energy: -11.770
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: 6
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -216.984246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.984246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.984246 (E_RNA)
where:
Base-Base interactions energy: -136.210
where: short stacking energy: -68.986
Base-Backbone interact. energy: -0.006
local terms energy: -80.767584
where:
bonds (distance) C4'-P energy: -16.400
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -17.944
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -19.191
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: 4, replica: 2
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -200.232232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.232232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.232232 (E_RNA)
where:
Base-Base interactions energy: -133.653
where: short stacking energy: -61.149
Base-Backbone interact. energy: -0.278
local terms energy: -66.300682
where:
bonds (distance) C4'-P energy: -10.269
bonds (distance) P-C4' energy: -14.186
flat angles C4'-P-C4' energy: -17.735
flat angles P-C4'-P energy: -8.643
tors. eta vs tors. theta energy: -15.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -208.306809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.306809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.306809 (E_RNA)
where:
Base-Base interactions energy: -136.235
where: short stacking energy: -70.330
Base-Backbone interact. energy: -0.004
local terms energy: -72.067396
where:
bonds (distance) C4'-P energy: -11.860
bonds (distance) P-C4' energy: -17.456
flat angles C4'-P-C4' energy: -13.082
flat angles P-C4'-P energy: -9.423
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: 6, replica: 7
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -93.264959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.264959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.264959 (E_RNA)
where:
Base-Base interactions energy: -47.717
where: short stacking energy: -30.757
Base-Backbone interact. energy: -0.067
local terms energy: -45.481317
where:
bonds (distance) C4'-P energy: -15.805
bonds (distance) P-C4' energy: -12.235
flat angles C4'-P-C4' energy: -12.197
flat angles P-C4'-P energy: -2.697
tors. eta vs tors. theta energy: -2.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -94.754812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.754812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.754812 (E_RNA)
where:
Base-Base interactions energy: -35.974
where: short stacking energy: -35.281
Base-Backbone interact. energy: -0.031
local terms energy: -58.749510
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -6.455
tors. eta vs tors. theta energy: -8.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -91.367461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.367461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.367461 (E_RNA)
where:
Base-Base interactions energy: -41.082
where: short stacking energy: -38.938
Base-Backbone interact. energy: -0.001
local terms energy: -50.284428
where:
bonds (distance) C4'-P energy: -12.452
bonds (distance) P-C4' energy: -7.218
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -8.558
tors. eta vs tors. theta energy: -8.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -84.110147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.110147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.110147 (E_RNA)
where:
Base-Base interactions energy: -28.285
where: short stacking energy: -24.563
Base-Backbone interact. energy: -0.144
local terms energy: -55.681129
where:
bonds (distance) C4'-P energy: -9.077
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -14.532
flat angles P-C4'-P energy: -9.488
tors. eta vs tors. theta energy: -6.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -82.624688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.624688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.624688 (E_RNA)
where:
Base-Base interactions energy: -26.850
where: short stacking energy: -25.738
Base-Backbone interact. energy: -0.301
local terms energy: -55.473853
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -11.456
flat angles P-C4'-P energy: -12.816
tors. eta vs tors. theta energy: 0.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -218.500887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.500887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.500887 (E_RNA)
where:
Base-Base interactions energy: -141.093
where: short stacking energy: -64.882
Base-Backbone interact. energy: -0.007
local terms energy: -77.400971
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -12.088
flat angles C4'-P-C4' energy: -19.072
flat angles P-C4'-P energy: -8.264
tors. eta vs tors. theta energy: -22.374
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: 6
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -213.990028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.990028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.990028 (E_RNA)
where:
Base-Base interactions energy: -136.480
where: short stacking energy: -67.812
Base-Backbone interact. energy: -0.002
local terms energy: -77.508249
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -12.243
tors. eta vs tors. theta energy: -20.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -202.069399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.069399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.069399 (E_RNA)
where:
Base-Base interactions energy: -127.876
where: short stacking energy: -66.340
Base-Backbone interact. energy: -0.887
local terms energy: -73.306537
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -9.771
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: 4, replica: 1
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -203.883073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.883073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.883073 (E_RNA)
where:
Base-Base interactions energy: -130.855
where: short stacking energy: -69.796
Base-Backbone interact. energy: 2.144
local terms energy: -75.171503
where:
bonds (distance) C4'-P energy: -13.880
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -16.693
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: -21.433
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: 2
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -202.923712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.923712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.923712 (E_RNA)
where:
Base-Base interactions energy: -125.199
where: short stacking energy: -67.037
Base-Backbone interact. energy: -0.007
local terms energy: -77.717813
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -15.259
flat angles C4'-P-C4' energy: -14.726
flat angles P-C4'-P energy: -10.519
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: 6, replica: 3
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -96.496543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.496543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.496543 (E_RNA)
where:
Base-Base interactions energy: -38.735
where: short stacking energy: -32.498
Base-Backbone interact. energy: -0.043
local terms energy: -57.718335
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -13.307
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -10.889
tors. eta vs tors. theta energy: -6.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -107.087970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.087970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.087970 (E_RNA)
where:
Base-Base interactions energy: -56.355
where: short stacking energy: -29.183
Base-Backbone interact. energy: 1.457
local terms energy: -52.190119
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -11.472
flat angles P-C4'-P energy: -6.135
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: 8, replica: 9
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -87.501377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.501377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.501377 (E_RNA)
where:
Base-Base interactions energy: -26.339
where: short stacking energy: -26.339
Base-Backbone interact. energy: -0.018
local terms energy: -61.145019
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -13.796
flat angles P-C4'-P energy: -13.096
tors. eta vs tors. theta energy: -6.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -84.793813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.793813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.793813 (E_RNA)
where:
Base-Base interactions energy: -38.588
where: short stacking energy: -30.141
Base-Backbone interact. energy: -0.156
local terms energy: -46.050031
where:
bonds (distance) C4'-P energy: -7.680
bonds (distance) P-C4' energy: -16.301
flat angles C4'-P-C4' energy: -11.954
flat angles P-C4'-P energy: -4.278
tors. eta vs tors. theta energy: -5.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -80.916107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.916107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.916107 (E_RNA)
where:
Base-Base interactions energy: -37.486
where: short stacking energy: -19.930
Base-Backbone interact. energy: -2.490
local terms energy: -40.940320
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -9.434
flat angles C4'-P-C4' energy: -9.484
flat angles P-C4'-P energy: -5.791
tors. eta vs tors. theta energy: -1.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -220.607896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.607896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.607896 (E_RNA)
where:
Base-Base interactions energy: -146.651
where: short stacking energy: -73.304
Base-Backbone interact. energy: -1.101
local terms energy: -72.855411
where:
bonds (distance) C4'-P energy: -11.789
bonds (distance) P-C4' energy: -13.188
flat angles C4'-P-C4' energy: -16.047
flat angles P-C4'-P energy: -11.974
tors. eta vs tors. theta energy: -19.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -207.355483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.355483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.355483 (E_RNA)
where:
Base-Base interactions energy: -137.471
where: short stacking energy: -61.440
Base-Backbone interact. energy: -0.254
local terms energy: -69.630242
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -11.685
flat angles C4'-P-C4' energy: -16.325
flat angles P-C4'-P energy: -10.903
tors. eta vs tors. theta energy: -16.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -206.479869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.479869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.479869 (E_RNA)
where:
Base-Base interactions energy: -135.331
where: short stacking energy: -72.025
Base-Backbone interact. energy: -0.045
local terms energy: -71.103654
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -18.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -199.829599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.829599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.829599 (E_RNA)
where:
Base-Base interactions energy: -122.139
where: short stacking energy: -63.172
Base-Backbone interact. energy: -0.014
local terms energy: -77.677087
where:
bonds (distance) C4'-P energy: -9.155
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -17.359
flat angles P-C4'-P energy: -11.722
tors. eta vs tors. theta energy: -22.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -192.990955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.990955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.990955 (E_RNA)
where:
Base-Base interactions energy: -131.065
where: short stacking energy: -66.153
Base-Backbone interact. energy: -0.007
local terms energy: -61.918451
where:
bonds (distance) C4'-P energy: -12.667
bonds (distance) P-C4' energy: -11.306
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -4.065
tors. eta vs tors. theta energy: -18.532
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: 3
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -110.654787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.654787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.654787 (E_RNA)
where:
Base-Base interactions energy: -61.041
where: short stacking energy: -31.811
Base-Backbone interact. energy: -0.119
local terms energy: -49.494687
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -11.022
flat angles C4'-P-C4' energy: -7.818
flat angles P-C4'-P energy: -6.241
tors. eta vs tors. theta energy: -8.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -148.818659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.818659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.818659 (E_RNA)
where:
Base-Base interactions energy: -89.844
where: short stacking energy: -45.271
Base-Backbone interact. energy: -0.959
local terms energy: -58.015551
where:
bonds (distance) C4'-P energy: -12.444
bonds (distance) P-C4' energy: -13.771
flat angles C4'-P-C4' energy: -9.398
flat angles P-C4'-P energy: -11.561
tors. eta vs tors. theta energy: -10.842
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: 7
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -85.550202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.550202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.550202 (E_RNA)
where:
Base-Base interactions energy: -31.965
where: short stacking energy: -31.965
Base-Backbone interact. energy: -0.057
local terms energy: -53.528053
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -13.879
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -2.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -85.395411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.395411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.395411 (E_RNA)
where:
Base-Base interactions energy: -28.637
where: short stacking energy: -28.637
Base-Backbone interact. energy: -0.153
local terms energy: -56.606167
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -12.510
flat angles C4'-P-C4' energy: -11.145
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -8.314
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: 5
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -84.763011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.763011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.763011 (E_RNA)
where:
Base-Base interactions energy: -31.006
where: short stacking energy: -31.006
Base-Backbone interact. energy: -0.150
local terms energy: -53.606786
where:
bonds (distance) C4'-P energy: -16.418
bonds (distance) P-C4' energy: -11.526
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: -3.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -232.206681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.206681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.206681 (E_RNA)
where:
Base-Base interactions energy: -152.491
where: short stacking energy: -81.624
Base-Backbone interact. energy: -0.018
local terms energy: -79.697281
where:
bonds (distance) C4'-P energy: -14.737
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -18.693
flat angles P-C4'-P energy: -8.151
tors. eta vs tors. theta energy: -23.324
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: 6
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -206.637540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.637540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.637540 (E_RNA)
where:
Base-Base interactions energy: -132.260
where: short stacking energy: -57.128
Base-Backbone interact. energy: -0.224
local terms energy: -74.154204
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: -18.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -212.241339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.241339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.241339 (E_RNA)
where:
Base-Base interactions energy: -138.219
where: short stacking energy: -70.621
Base-Backbone interact. energy: -0.001
local terms energy: -74.021139
where:
bonds (distance) C4'-P energy: -10.252
bonds (distance) P-C4' energy: -11.334
flat angles C4'-P-C4' energy: -17.257
flat angles P-C4'-P energy: -12.461
tors. eta vs tors. theta energy: -22.717
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: 2
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -193.469908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.469908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.469908 (E_RNA)
where:
Base-Base interactions energy: -119.277
where: short stacking energy: -62.321
Base-Backbone interact. energy: -0.144
local terms energy: -74.048185
where:
bonds (distance) C4'-P energy: -13.281
bonds (distance) P-C4' energy: -15.428
flat angles C4'-P-C4' energy: -18.554
flat angles P-C4'-P energy: -8.968
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: 1
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -190.977362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.977362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.977362 (E_RNA)
where:
Base-Base interactions energy: -125.287
where: short stacking energy: -65.368
Base-Backbone interact. energy: -0.020
local terms energy: -65.671026
where:
bonds (distance) C4'-P energy: -11.156
bonds (distance) P-C4' energy: -14.450
flat angles C4'-P-C4' energy: -11.643
flat angles P-C4'-P energy: -8.937
tors. eta vs tors. theta energy: -19.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -151.504622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.504622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.504622 (E_RNA)
where:
Base-Base interactions energy: -94.726
where: short stacking energy: -45.329
Base-Backbone interact. energy: 0.567
local terms energy: -57.345177
where:
bonds (distance) C4'-P energy: -12.483
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -14.852
flat angles P-C4'-P energy: -8.724
tors. eta vs tors. theta energy: -4.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -116.857715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.857715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.857715 (E_RNA)
where:
Base-Base interactions energy: -65.424
where: short stacking energy: -34.270
Base-Backbone interact. energy: -0.167
local terms energy: -51.267215
where:
bonds (distance) C4'-P energy: -9.263
bonds (distance) P-C4' energy: -15.639
flat angles C4'-P-C4' energy: -14.848
flat angles P-C4'-P energy: -8.707
tors. eta vs tors. theta energy: -2.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -94.883100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.883100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.883100 (E_RNA)
where:
Base-Base interactions energy: -32.676
where: short stacking energy: -32.676
Base-Backbone interact. energy: -0.295
local terms energy: -61.912306
where:
bonds (distance) C4'-P energy: -16.841
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -11.303
flat angles P-C4'-P energy: -9.782
tors. eta vs tors. theta energy: -9.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -89.026996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.026996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.026996 (E_RNA)
where:
Base-Base interactions energy: -39.178
where: short stacking energy: -27.785
Base-Backbone interact. energy: -0.061
local terms energy: -49.787550
where:
bonds (distance) C4'-P energy: -10.728
bonds (distance) P-C4' energy: -12.460
flat angles C4'-P-C4' energy: -12.164
flat angles P-C4'-P energy: -5.553
tors. eta vs tors. theta energy: -8.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -76.619065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.619065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.619065 (E_RNA)
where:
Base-Base interactions energy: -25.692
where: short stacking energy: -16.279
Base-Backbone interact. energy: 0.336
local terms energy: -51.262722
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -15.312
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -8.375
tors. eta vs tors. theta energy: 2.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -212.012103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.012103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.012103 (E_RNA)
where:
Base-Base interactions energy: -135.053
where: short stacking energy: -71.297
Base-Backbone interact. energy: -0.098
local terms energy: -76.860859
where:
bonds (distance) C4'-P energy: -13.247
bonds (distance) P-C4' energy: -15.168
flat angles C4'-P-C4' energy: -17.939
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -20.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -223.175537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.175537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.175537 (E_RNA)
where:
Base-Base interactions energy: -143.883
where: short stacking energy: -74.312
Base-Backbone interact. energy: -0.025
local terms energy: -79.268338
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -13.837
flat angles C4'-P-C4' energy: -16.512
flat angles P-C4'-P energy: -12.015
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: 3, replica: 4
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -212.884461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.884461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.884461 (E_RNA)
where:
Base-Base interactions energy: -137.544
where: short stacking energy: -73.061
Base-Backbone interact. energy: -0.063
local terms energy: -75.277378
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -10.199
flat angles C4'-P-C4' energy: -13.384
flat angles P-C4'-P energy: -13.548
tors. eta vs tors. theta energy: -20.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -198.942344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.942344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.942344 (E_RNA)
where:
Base-Base interactions energy: -130.909
where: short stacking energy: -63.728
Base-Backbone interact. energy: -0.556
local terms energy: -67.477911
where:
bonds (distance) C4'-P energy: -11.366
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -13.924
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -17.198
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: 1
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -195.475806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.475806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.475806 (E_RNA)
where:
Base-Base interactions energy: -121.476
where: short stacking energy: -60.582
Base-Backbone interact. energy: -0.154
local terms energy: -73.846219
where:
bonds (distance) C4'-P energy: -12.475
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -11.408
tors. eta vs tors. theta energy: -20.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -153.306389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.306389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.306389 (E_RNA)
where:
Base-Base interactions energy: -97.709
where: short stacking energy: -46.448
Base-Backbone interact. energy: -0.233
local terms energy: -55.364200
where:
bonds (distance) C4'-P energy: -9.654
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -12.434
flat angles P-C4'-P energy: -8.069
tors. eta vs tors. theta energy: -11.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -101.490018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.490018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.490018 (E_RNA)
where:
Base-Base interactions energy: -40.772
where: short stacking energy: -40.772
Base-Backbone interact. energy: -0.057
local terms energy: -60.660982
where:
bonds (distance) C4'-P energy: -9.547
bonds (distance) P-C4' energy: -14.281
flat angles C4'-P-C4' energy: -18.367
flat angles P-C4'-P energy: -6.058
tors. eta vs tors. theta energy: -12.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -99.111582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.111582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.111582 (E_RNA)
where:
Base-Base interactions energy: -52.010
where: short stacking energy: -35.644
Base-Backbone interact. energy: 0.005
local terms energy: -47.106811
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -10.673
flat angles C4'-P-C4' energy: -9.842
flat angles P-C4'-P energy: -8.830
tors. eta vs tors. theta energy: -4.173
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: 5
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -82.283879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.283879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.283879 (E_RNA)
where:
Base-Base interactions energy: -30.760
where: short stacking energy: -26.309
Base-Backbone interact. energy: 0.095
local terms energy: -51.618729
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -16.659
flat angles P-C4'-P energy: -5.733
tors. eta vs tors. theta energy: 1.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -68.536458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.536458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.536458 (E_RNA)
where:
Base-Base interactions energy: -24.115
where: short stacking energy: -24.115
Base-Backbone interact. energy: -0.336
local terms energy: -44.085498
where:
bonds (distance) C4'-P energy: -11.798
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -10.405
flat angles P-C4'-P energy: -6.323
tors. eta vs tors. theta energy: 2.401
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: 1, replica: 6
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -221.938037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.938037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.938037 (E_RNA)
where:
Base-Base interactions energy: -139.712
where: short stacking energy: -72.371
Base-Backbone interact. energy: -0.189
local terms energy: -82.037181
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -18.391
flat angles P-C4'-P energy: -12.490
tors. eta vs tors. theta energy: -19.361
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: 4
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -218.730456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.730456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.730456 (E_RNA)
where:
Base-Base interactions energy: -143.455
where: short stacking energy: -73.815
Base-Backbone interact. energy: -0.068
local terms energy: -75.207262
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -11.177
flat angles C4'-P-C4' energy: -16.263
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -22.883
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: 10
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -209.763553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.763553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.763553 (E_RNA)
where:
Base-Base interactions energy: -130.572
where: short stacking energy: -69.416
Base-Backbone interact. energy: -0.042
local terms energy: -79.149558
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -15.601
flat angles P-C4'-P energy: -12.400
tors. eta vs tors. theta energy: -20.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -205.803575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.803575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.803575 (E_RNA)
where:
Base-Base interactions energy: -133.143
where: short stacking energy: -61.191
Base-Backbone interact. energy: -0.242
local terms energy: -72.418150
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -13.203
flat angles C4'-P-C4' energy: -13.208
flat angles P-C4'-P energy: -11.507
tors. eta vs tors. theta energy: -19.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -182.053716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.053716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.053716 (E_RNA)
where:
Base-Base interactions energy: -114.168
where: short stacking energy: -59.249
Base-Backbone interact. energy: -0.003
local terms energy: -67.883036
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -15.008
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -15.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -101.167328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.167328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.167328 (E_RNA)
where:
Base-Base interactions energy: -49.567
where: short stacking energy: -48.920
Base-Backbone interact. energy: 0.999
local terms energy: -52.599075
where:
bonds (distance) C4'-P energy: -8.834
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -10.288
flat angles P-C4'-P energy: -9.961
tors. eta vs tors. theta energy: -9.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -140.490025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.490025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.490025 (E_RNA)
where:
Base-Base interactions energy: -78.399
where: short stacking energy: -35.241
Base-Backbone interact. energy: -0.724
local terms energy: -61.366864
where:
bonds (distance) C4'-P energy: -11.679
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -8.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -89.794480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.794480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.794480 (E_RNA)
where:
Base-Base interactions energy: -35.577
where: short stacking energy: -33.140
Base-Backbone interact. energy: -0.020
local terms energy: -54.197314
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -7.353
tors. eta vs tors. theta energy: -1.515
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: 9, replica: 3
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -94.300194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.300194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.300194 (E_RNA)
where:
Base-Base interactions energy: -38.712
where: short stacking energy: -32.933
Base-Backbone interact. energy: -0.453
local terms energy: -55.135356
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -16.509
flat angles C4'-P-C4' energy: -12.073
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -4.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -80.318590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.318590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.318590 (E_RNA)
where:
Base-Base interactions energy: -29.689
where: short stacking energy: -29.689
Base-Backbone interact. energy: -0.101
local terms energy: -50.529464
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -14.956
flat angles C4'-P-C4' energy: -11.153
flat angles P-C4'-P energy: -10.909
tors. eta vs tors. theta energy: -1.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -225.767660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.767660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.767660 (E_RNA)
where:
Base-Base interactions energy: -145.373
where: short stacking energy: -68.504
Base-Backbone interact. energy: 0.128
local terms energy: -80.523026
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -13.703
tors. eta vs tors. theta energy: -22.073
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: 6
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -213.518186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.518186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.518186 (E_RNA)
where:
Base-Base interactions energy: -140.113
where: short stacking energy: -66.859
Base-Backbone interact. energy: -0.215
local terms energy: -73.190318
where:
bonds (distance) C4'-P energy: -13.549
bonds (distance) P-C4' energy: -13.383
flat angles C4'-P-C4' energy: -16.135
flat angles P-C4'-P energy: -11.585
tors. eta vs tors. theta energy: -18.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -217.515947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.515947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.515947 (E_RNA)
where:
Base-Base interactions energy: -144.057
where: short stacking energy: -65.527
Base-Backbone interact. energy: -0.006
local terms energy: -73.452195
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -13.043
flat angles P-C4'-P energy: -7.669
tors. eta vs tors. theta energy: -19.302
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: 10
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -214.324783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.324783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.324783 (E_RNA)
where:
Base-Base interactions energy: -133.185
where: short stacking energy: -70.327
Base-Backbone interact. energy: -0.061
local terms energy: -81.079618
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -16.500
flat angles P-C4'-P energy: -13.596
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: 5, replica: 2
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -190.237601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.237601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.237601 (E_RNA)
where:
Base-Base interactions energy: -126.784
where: short stacking energy: -62.660
Base-Backbone interact. energy: -0.532
local terms energy: -62.921188
where:
bonds (distance) C4'-P energy: -10.845
bonds (distance) P-C4' energy: -7.164
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -12.638
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: 6, replica: 8
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -87.438389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.438389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.438389 (E_RNA)
where:
Base-Base interactions energy: -32.434
where: short stacking energy: -31.084
Base-Backbone interact. energy: -0.127
local terms energy: -54.876763
where:
bonds (distance) C4'-P energy: -11.810
bonds (distance) P-C4' energy: -12.775
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -7.856
tors. eta vs tors. theta energy: -8.496
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: 7, replica: 9
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -140.931474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.931474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.931474 (E_RNA)
where:
Base-Base interactions energy: -82.534
where: short stacking energy: -44.358
Base-Backbone interact. energy: -0.002
local terms energy: -58.395675
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -10.205
flat angles C4'-P-C4' energy: -14.274
flat angles P-C4'-P energy: -6.173
tors. eta vs tors. theta energy: -12.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -84.564539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.564539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.564539 (E_RNA)
where:
Base-Base interactions energy: -32.934
where: short stacking energy: -27.271
Base-Backbone interact. energy: -0.104
local terms energy: -51.526936
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -11.501
flat angles P-C4'-P energy: -6.828
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: 9, replica: 7
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -75.742157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.742157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.742157 (E_RNA)
where:
Base-Base interactions energy: -27.142
where: short stacking energy: -26.366
Base-Backbone interact. energy: -0.229
local terms energy: -48.371360
where:
bonds (distance) C4'-P energy: -10.944
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -8.987
tors. eta vs tors. theta energy: 1.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -98.111484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.111484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.111484 (E_RNA)
where:
Base-Base interactions energy: -43.963
where: short stacking energy: -29.071
Base-Backbone interact. energy: -0.620
local terms energy: -53.529045
where:
bonds (distance) C4'-P energy: -14.472
bonds (distance) P-C4' energy: -10.575
flat angles C4'-P-C4' energy: -11.725
flat angles P-C4'-P energy: -9.677
tors. eta vs tors. theta energy: -7.080
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: 4
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -230.693900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.693900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.693900 (E_RNA)
where:
Base-Base interactions energy: -149.397
where: short stacking energy: -71.800
Base-Backbone interact. energy: -1.260
local terms energy: -80.036810
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -17.510
flat angles P-C4'-P energy: -12.604
tors. eta vs tors. theta energy: -20.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -218.620594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.620594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.620594 (E_RNA)
where:
Base-Base interactions energy: -141.342
where: short stacking energy: -72.069
Base-Backbone interact. energy: -0.280
local terms energy: -76.998991
where:
bonds (distance) C4'-P energy: -16.503
bonds (distance) P-C4' energy: -15.410
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -7.358
tors. eta vs tors. theta energy: -22.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -217.147824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.147824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.147824 (E_RNA)
where:
Base-Base interactions energy: -137.185
where: short stacking energy: -59.507
Base-Backbone interact. energy: -0.766
local terms energy: -79.197447
where:
bonds (distance) C4'-P energy: -14.116
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -17.010
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -19.138
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: 10
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -211.354905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.354905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.354905 (E_RNA)
where:
Base-Base interactions energy: -134.910
where: short stacking energy: -66.573
Base-Backbone interact. energy: -0.039
local terms energy: -76.406224
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -16.277
flat angles C4'-P-C4' energy: -14.777
flat angles P-C4'-P energy: -12.358
tors. eta vs tors. theta energy: -20.072
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: 2
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -198.723422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.723422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.723422 (E_RNA)
where:
Base-Base interactions energy: -133.014
where: short stacking energy: -57.087
Base-Backbone interact. energy: -0.231
local terms energy: -65.478570
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -13.992
flat angles C4'-P-C4' energy: -14.610
flat angles P-C4'-P energy: -7.399
tors. eta vs tors. theta energy: -14.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -135.638612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.638612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.638612 (E_RNA)
where:
Base-Base interactions energy: -73.945
where: short stacking energy: -42.708
Base-Backbone interact. energy: -0.047
local terms energy: -61.646835
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -12.963
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -6.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -92.100602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.100602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.100602 (E_RNA)
where:
Base-Base interactions energy: -40.555
where: short stacking energy: -26.474
Base-Backbone interact. energy: 0.888
local terms energy: -52.433240
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -14.886
flat angles P-C4'-P energy: -4.088
tors. eta vs tors. theta energy: -5.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -86.633926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.633926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.633926 (E_RNA)
where:
Base-Base interactions energy: -37.655
where: short stacking energy: -29.320
Base-Backbone interact. energy: -0.036
local terms energy: -48.942832
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -15.195
flat angles C4'-P-C4' energy: -10.759
flat angles P-C4'-P energy: -9.489
tors. eta vs tors. theta energy: 1.057
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: 5
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -76.895222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.895222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.895222 (E_RNA)
where:
Base-Base interactions energy: -25.266
where: short stacking energy: -20.562
Base-Backbone interact. energy: 0.280
local terms energy: -51.908991
where:
bonds (distance) C4'-P energy: -13.085
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -13.770
flat angles P-C4'-P energy: -9.278
tors. eta vs tors. theta energy: -0.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -92.551256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.551256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.551256 (E_RNA)
where:
Base-Base interactions energy: -45.372
where: short stacking energy: -19.551
Base-Backbone interact. energy: -0.164
local terms energy: -47.015021
where:
bonds (distance) C4'-P energy: -9.316
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -10.890
flat angles P-C4'-P energy: -12.598
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: 1
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -223.473377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.473377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.473377 (E_RNA)
where:
Base-Base interactions energy: -143.479
where: short stacking energy: -68.869
Base-Backbone interact. energy: 0.386
local terms energy: -80.379734
where:
bonds (distance) C4'-P energy: -13.824
bonds (distance) P-C4' energy: -17.639
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -13.589
tors. eta vs tors. theta energy: -19.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -222.474027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.474027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.474027 (E_RNA)
where:
Base-Base interactions energy: -146.261
where: short stacking energy: -70.849
Base-Backbone interact. energy: -0.093
local terms energy: -76.120808
where:
bonds (distance) C4'-P energy: -12.199
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -15.643
flat angles P-C4'-P energy: -12.421
tors. eta vs tors. theta energy: -21.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -215.630612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.630612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.630612 (E_RNA)
where:
Base-Base interactions energy: -138.828
where: short stacking energy: -69.513
Base-Backbone interact. energy: -0.090
local terms energy: -76.711740
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -14.160
flat angles P-C4'-P energy: -13.101
tors. eta vs tors. theta energy: -19.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -207.533206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.533206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.533206 (E_RNA)
where:
Base-Base interactions energy: -137.657
where: short stacking energy: -68.291
Base-Backbone interact. energy: -0.008
local terms energy: -69.868185
where:
bonds (distance) C4'-P energy: -16.113
bonds (distance) P-C4' energy: -11.806
flat angles C4'-P-C4' energy: -14.416
flat angles P-C4'-P energy: -11.716
tors. eta vs tors. theta energy: -15.816
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: 2
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -191.354173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.354173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.354173 (E_RNA)
where:
Base-Base interactions energy: -127.703
where: short stacking energy: -62.124
Base-Backbone interact. energy: 0.064
local terms energy: -63.715044
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -11.559
flat angles P-C4'-P energy: -8.436
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: 6, replica: 9
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -175.051679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.051679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.051679 (E_RNA)
where:
Base-Base interactions energy: -105.166
where: short stacking energy: -56.471
Base-Backbone interact. energy: -0.688
local terms energy: -69.197006
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -10.872
tors. eta vs tors. theta energy: -14.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -101.862083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.862083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.862083 (E_RNA)
where:
Base-Base interactions energy: -42.884
where: short stacking energy: -41.945
Base-Backbone interact. energy: 1.013
local terms energy: -59.990864
where:
bonds (distance) C4'-P energy: -10.459
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -8.219
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: 8, replica: 7
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -83.187727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.187727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.187727 (E_RNA)
where:
Base-Base interactions energy: -33.098
where: short stacking energy: -27.759
Base-Backbone interact. energy: -0.322
local terms energy: -49.767656
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -10.611
flat angles P-C4'-P energy: -6.298
tors. eta vs tors. theta energy: -1.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -82.778923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.778923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.778923 (E_RNA)
where:
Base-Base interactions energy: -36.040
where: short stacking energy: -17.813
Base-Backbone interact. energy: -0.394
local terms energy: -46.344955
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -8.046
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: 2.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -84.714957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.714957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.714957 (E_RNA)
where:
Base-Base interactions energy: -34.748
where: short stacking energy: -25.711
Base-Backbone interact. energy: -0.363
local terms energy: -49.604830
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -15.284
flat angles C4'-P-C4' energy: -12.916
flat angles P-C4'-P energy: -4.202
tors. eta vs tors. theta energy: -3.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -218.831650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.831650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.831650 (E_RNA)
where:
Base-Base interactions energy: -138.826
where: short stacking energy: -74.270
Base-Backbone interact. energy: -0.763
local terms energy: -79.242940
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -13.910
flat angles C4'-P-C4' energy: -15.693
flat angles P-C4'-P energy: -10.404
tors. eta vs tors. theta energy: -23.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -216.911192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.911192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.911192 (E_RNA)
where:
Base-Base interactions energy: -137.991
where: short stacking energy: -72.881
Base-Backbone interact. energy: -0.023
local terms energy: -78.897397
where:
bonds (distance) C4'-P energy: -15.431
bonds (distance) P-C4' energy: -13.199
flat angles C4'-P-C4' energy: -14.946
flat angles P-C4'-P energy: -14.363
tors. eta vs tors. theta energy: -20.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -210.906879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.906879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.906879 (E_RNA)
where:
Base-Base interactions energy: -135.685
where: short stacking energy: -73.504
Base-Backbone interact. energy: -0.061
local terms energy: -75.161432
where:
bonds (distance) C4'-P energy: -15.549
bonds (distance) P-C4' energy: -16.874
flat angles C4'-P-C4' energy: -13.066
flat angles P-C4'-P energy: -10.722
tors. eta vs tors. theta energy: -18.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -213.158789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.158789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.158789 (E_RNA)
where:
Base-Base interactions energy: -137.167
where: short stacking energy: -70.210
Base-Backbone interact. energy: -0.344
local terms energy: -75.647505
where:
bonds (distance) C4'-P energy: -13.220
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -13.053
tors. eta vs tors. theta energy: -19.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -198.868506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.868506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.868506 (E_RNA)
where:
Base-Base interactions energy: -128.725
where: short stacking energy: -61.448
Base-Backbone interact. energy: -0.346
local terms energy: -69.797438
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -16.730
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -8.184
tors. eta vs tors. theta energy: -16.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -155.731979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.731979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.731979 (E_RNA)
where:
Base-Base interactions energy: -91.993
where: short stacking energy: -45.644
Base-Backbone interact. energy: -0.029
local terms energy: -63.709674
where:
bonds (distance) C4'-P energy: -10.538
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -14.711
flat angles P-C4'-P energy: -12.799
tors. eta vs tors. theta energy: -10.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -94.520396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.520396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.520396 (E_RNA)
where:
Base-Base interactions energy: -33.038
where: short stacking energy: -33.038
Base-Backbone interact. energy: -0.166
local terms energy: -61.315680
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -12.938
flat angles P-C4'-P energy: -9.026
tors. eta vs tors. theta energy: -8.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -80.216251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.216251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.216251 (E_RNA)
where:
Base-Base interactions energy: -27.965
where: short stacking energy: -25.409
Base-Backbone interact. energy: -0.524
local terms energy: -51.726660
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -14.264
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -0.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -76.460468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.460468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.460468 (E_RNA)
where:
Base-Base interactions energy: -28.170
where: short stacking energy: -22.714
Base-Backbone interact. energy: 0.671
local terms energy: -48.961658
where:
bonds (distance) C4'-P energy: -10.526
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -7.452
tors. eta vs tors. theta energy: -1.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -73.859870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.859870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.859870 (E_RNA)
where:
Base-Base interactions energy: -27.944
where: short stacking energy: -27.656
Base-Backbone interact. energy: -0.594
local terms energy: -45.321345
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -11.555
flat angles C4'-P-C4' energy: -12.838
flat angles P-C4'-P energy: -7.745
tors. eta vs tors. theta energy: 0.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -221.856695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.856695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.856695 (E_RNA)
where:
Base-Base interactions energy: -139.186
where: short stacking energy: -69.977
Base-Backbone interact. energy: -0.029
local terms energy: -82.641044
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -16.521
flat angles P-C4'-P energy: -10.724
tors. eta vs tors. theta energy: -23.261
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: 1
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -219.075043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.075043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.075043 (E_RNA)
where:
Base-Base interactions energy: -138.350
where: short stacking energy: -60.291
Base-Backbone interact. energy: -0.869
local terms energy: -79.856152
where:
bonds (distance) C4'-P energy: -15.236
bonds (distance) P-C4' energy: -17.606
flat angles C4'-P-C4' energy: -16.512
flat angles P-C4'-P energy: -12.053
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: 3, replica: 2
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -213.566583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.566583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.566583 (E_RNA)
where:
Base-Base interactions energy: -140.627
where: short stacking energy: -70.984
Base-Backbone interact. energy: -0.000
local terms energy: -72.939073
where:
bonds (distance) C4'-P energy: -13.475
bonds (distance) P-C4' energy: -12.522
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -13.317
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: 4, replica: 4
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -197.891277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.891277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.891277 (E_RNA)
where:
Base-Base interactions energy: -124.023
where: short stacking energy: -63.329
Base-Backbone interact. energy: -0.068
local terms energy: -73.799623
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -12.266
flat angles P-C4'-P energy: -12.548
tors. eta vs tors. theta energy: -17.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -182.071549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.071549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.071549 (E_RNA)
where:
Base-Base interactions energy: -120.324
where: short stacking energy: -58.408
Base-Backbone interact. energy: -0.091
local terms energy: -61.656645
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -11.032
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: -15.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -188.932837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.932837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.932837 (E_RNA)
where:
Base-Base interactions energy: -129.793
where: short stacking energy: -56.159
Base-Backbone interact. energy: -0.126
local terms energy: -59.013477
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -10.586
flat angles C4'-P-C4' energy: -13.306
flat angles P-C4'-P energy: -7.943
tors. eta vs tors. theta energy: -13.370
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: 7, replica: 3
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -96.761360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.761360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.761360 (E_RNA)
where:
Base-Base interactions energy: -45.541
where: short stacking energy: -42.541
Base-Backbone interact. energy: 0.019
local terms energy: -51.238880
where:
bonds (distance) C4'-P energy: -14.279
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -7.472
flat angles P-C4'-P energy: -2.823
tors. eta vs tors. theta energy: -10.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -76.988070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.988070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.988070 (E_RNA)
where:
Base-Base interactions energy: -29.138
where: short stacking energy: -28.464
Base-Backbone interact. energy: -0.020
local terms energy: -47.830065
where:
bonds (distance) C4'-P energy: -10.265
bonds (distance) P-C4' energy: -13.728
flat angles C4'-P-C4' energy: -16.991
flat angles P-C4'-P energy: -7.517
tors. eta vs tors. theta energy: 0.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -73.709670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.709670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.709670 (E_RNA)
where:
Base-Base interactions energy: -26.985
where: short stacking energy: -26.037
Base-Backbone interact. energy: -0.174
local terms energy: -46.550508
where:
bonds (distance) C4'-P energy: -11.160
bonds (distance) P-C4' energy: -12.062
flat angles C4'-P-C4' energy: -9.999
flat angles P-C4'-P energy: -6.921
tors. eta vs tors. theta energy: -6.409
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: 7
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -82.929528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.929528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.929528 (E_RNA)
where:
Base-Base interactions energy: -33.760
where: short stacking energy: -26.166
Base-Backbone interact. energy: -0.067
local terms energy: -49.102603
where:
bonds (distance) C4'-P energy: -9.956
bonds (distance) P-C4' energy: -15.121
flat angles C4'-P-C4' energy: -7.974
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: -5.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -218.069457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.069457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.069457 (E_RNA)
where:
Base-Base interactions energy: -140.487
where: short stacking energy: -66.257
Base-Backbone interact. energy: -0.372
local terms energy: -77.210584
where:
bonds (distance) C4'-P energy: -16.536
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -11.890
tors. eta vs tors. theta energy: -17.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -219.408354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.408354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.408354 (E_RNA)
where:
Base-Base interactions energy: -142.069
where: short stacking energy: -68.397
Base-Backbone interact. energy: -0.363
local terms energy: -76.976141
where:
bonds (distance) C4'-P energy: -16.563
bonds (distance) P-C4' energy: -14.834
flat angles C4'-P-C4' energy: -13.161
flat angles P-C4'-P energy: -11.885
tors. eta vs tors. theta energy: -20.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -191.920330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.920330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.920330 (E_RNA)
where:
Base-Base interactions energy: -127.905
where: short stacking energy: -57.335
Base-Backbone interact. energy: -0.770
local terms energy: -63.245172
where:
bonds (distance) C4'-P energy: -9.515
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -8.181
tors. eta vs tors. theta energy: -13.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -209.884246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.884246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.884246 (E_RNA)
where:
Base-Base interactions energy: -132.921
where: short stacking energy: -66.973
Base-Backbone interact. energy: -0.098
local terms energy: -76.865108
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -13.696
flat angles C4'-P-C4' energy: -16.021
flat angles P-C4'-P energy: -13.587
tors. eta vs tors. theta energy: -20.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -199.412790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.412790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.412790 (E_RNA)
where:
Base-Base interactions energy: -127.156
where: short stacking energy: -62.828
Base-Backbone interact. energy: 0.097
local terms energy: -72.354125
where:
bonds (distance) C4'-P energy: -15.115
bonds (distance) P-C4' energy: -14.238
flat angles C4'-P-C4' energy: -16.105
flat angles P-C4'-P energy: -11.236
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: 3
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -106.763635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.763635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.763635 (E_RNA)
where:
Base-Base interactions energy: -47.532
where: short stacking energy: -38.860
Base-Backbone interact. energy: -0.382
local terms energy: -58.850471
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -13.440
flat angles C4'-P-C4' energy: -14.856
flat angles P-C4'-P energy: -6.715
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: 7, replica: 9
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -181.029798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.029798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.029798 (E_RNA)
where:
Base-Base interactions energy: -126.160
where: short stacking energy: -54.289
Base-Backbone interact. energy: -0.609
local terms energy: -54.260539
where:
bonds (distance) C4'-P energy: -4.254
bonds (distance) P-C4' energy: -10.309
flat angles C4'-P-C4' energy: -13.024
flat angles P-C4'-P energy: -12.887
tors. eta vs tors. theta energy: -13.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -82.690137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.690137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.690137 (E_RNA)
where:
Base-Base interactions energy: -31.798
where: short stacking energy: -24.904
Base-Backbone interact. energy: -0.246
local terms energy: -50.646223
where:
bonds (distance) C4'-P energy: -13.958
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -10.150
flat angles P-C4'-P energy: -6.782
tors. eta vs tors. theta energy: -4.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -74.824149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.824149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.824149 (E_RNA)
where:
Base-Base interactions energy: -29.196
where: short stacking energy: -29.196
Base-Backbone interact. energy: -0.143
local terms energy: -45.484602
where:
bonds (distance) C4'-P energy: -5.777
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -15.182
flat angles P-C4'-P energy: -4.017
tors. eta vs tors. theta energy: -3.969
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: 121
Temperature: 1.350000
Total energy: -75.628036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.628036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.628036 (E_RNA)
where:
Base-Base interactions energy: -27.997
where: short stacking energy: -15.365
Base-Backbone interact. energy: 0.271
local terms energy: -47.901646
where:
bonds (distance) C4'-P energy: -11.406
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -8.063
tors. eta vs tors. theta energy: -1.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -227.957724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.957724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.957724 (E_RNA)
where:
Base-Base interactions energy: -145.419
where: short stacking energy: -75.859
Base-Backbone interact. energy: -0.018
local terms energy: -82.521429
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -17.327
flat angles P-C4'-P energy: -12.913
tors. eta vs tors. theta energy: -23.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -211.225135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.225135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.225135 (E_RNA)
where:
Base-Base interactions energy: -134.305
where: short stacking energy: -67.697
Base-Backbone interact. energy: -0.093
local terms energy: -76.827480
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -15.786
flat angles C4'-P-C4' energy: -14.294
flat angles P-C4'-P energy: -13.116
tors. eta vs tors. theta energy: -19.699
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: 4
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -194.875806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.875806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.875806 (E_RNA)
where:
Base-Base interactions energy: -124.728
where: short stacking energy: -63.639
Base-Backbone interact. energy: -0.001
local terms energy: -70.146030
where:
bonds (distance) C4'-P energy: -13.625
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -12.722
flat angles P-C4'-P energy: -8.944
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: 4, replica: 1
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -191.609694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.609694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.609694 (E_RNA)
where:
Base-Base interactions energy: -121.081
where: short stacking energy: -59.806
Base-Backbone interact. energy: -0.004
local terms energy: -70.524614
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -12.110
flat angles C4'-P-C4' energy: -17.756
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -13.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -159.556430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.556430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.556430 (E_RNA)
where:
Base-Base interactions energy: -102.037
where: short stacking energy: -49.112
Base-Backbone interact. energy: -0.096
local terms energy: -57.423657
where:
bonds (distance) C4'-P energy: -14.195
bonds (distance) P-C4' energy: -13.971
flat angles C4'-P-C4' energy: -11.385
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -8.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -131.555775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.555775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.555775 (E_RNA)
where:
Base-Base interactions energy: -73.550
where: short stacking energy: -40.131
Base-Backbone interact. energy: -0.189
local terms energy: -57.816196
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -13.265
flat angles C4'-P-C4' energy: -14.216
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: -7.240
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: 9
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -172.163280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.163280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.163280 (E_RNA)
where:
Base-Base interactions energy: -108.382
where: short stacking energy: -51.008
Base-Backbone interact. energy: -0.005
local terms energy: -63.776800
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -11.669
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -6.247
tors. eta vs tors. theta energy: -16.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -86.775840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.775840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.775840 (E_RNA)
where:
Base-Base interactions energy: -33.631
where: short stacking energy: -30.581
Base-Backbone interact. energy: -0.303
local terms energy: -52.841523
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -14.315
flat angles C4'-P-C4' energy: -14.254
flat angles P-C4'-P energy: -6.161
tors. eta vs tors. theta energy: -2.949
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: 7
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -85.677253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.677253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.677253 (E_RNA)
where:
Base-Base interactions energy: -28.166
where: short stacking energy: -24.910
Base-Backbone interact. energy: -0.045
local terms energy: -57.466613
where:
bonds (distance) C4'-P energy: -14.006
bonds (distance) P-C4' energy: -13.628
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: -6.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -92.073088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.073088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.073088 (E_RNA)
where:
Base-Base interactions energy: -34.947
where: short stacking energy: -30.186
Base-Backbone interact. energy: -0.843
local terms energy: -56.283222
where:
bonds (distance) C4'-P energy: -12.166
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -16.089
flat angles P-C4'-P energy: -4.724
tors. eta vs tors. theta energy: -6.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -219.599146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.599146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.599146 (E_RNA)
where:
Base-Base interactions energy: -147.802
where: short stacking energy: -75.645
Base-Backbone interact. energy: 0.249
local terms energy: -72.046720
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -14.215
flat angles C4'-P-C4' energy: -14.602
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -18.301
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: 10
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -210.737999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.737999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.737999 (E_RNA)
where:
Base-Base interactions energy: -134.688
where: short stacking energy: -66.712
Base-Backbone interact. energy: -0.407
local terms energy: -75.643486
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -16.026
flat angles P-C4'-P energy: -11.478
tors. eta vs tors. theta energy: -18.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -209.555219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.555219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.555219 (E_RNA)
where:
Base-Base interactions energy: -133.930
where: short stacking energy: -60.277
Base-Backbone interact. energy: -0.067
local terms energy: -75.558609
where:
bonds (distance) C4'-P energy: -13.129
bonds (distance) P-C4' energy: -16.381
flat angles C4'-P-C4' energy: -15.332
flat angles P-C4'-P energy: -14.022
tors. eta vs tors. theta energy: -16.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -162.931097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.931097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.931097 (E_RNA)
where:
Base-Base interactions energy: -92.383
where: short stacking energy: -40.740
Base-Backbone interact. energy: -0.550
local terms energy: -69.997985
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -17.742
flat angles P-C4'-P energy: -10.205
tors. eta vs tors. theta energy: -11.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -184.276153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.276153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.276153 (E_RNA)
where:
Base-Base interactions energy: -122.105
where: short stacking energy: -60.688
Base-Backbone interact. energy: 2.517
local terms energy: -64.688676
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -12.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -155.914261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.914261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.914261 (E_RNA)
where:
Base-Base interactions energy: -88.707
where: short stacking energy: -40.886
Base-Backbone interact. energy: -0.523
local terms energy: -66.683731
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -12.715
flat angles P-C4'-P energy: -11.313
tors. eta vs tors. theta energy: -15.435
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: 3
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -151.971079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.971079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.971079 (E_RNA)
where:
Base-Base interactions energy: -82.707
where: short stacking energy: -51.059
Base-Backbone interact. energy: -0.046
local terms energy: -69.218248
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -10.903
tors. eta vs tors. theta energy: -12.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -93.714076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.714076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.714076 (E_RNA)
where:
Base-Base interactions energy: -36.652
where: short stacking energy: -35.148
Base-Backbone interact. energy: -0.004
local terms energy: -57.058229
where:
bonds (distance) C4'-P energy: -14.268
bonds (distance) P-C4' energy: -10.484
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -9.183
tors. eta vs tors. theta energy: -9.128
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: 7
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -89.828932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.828932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.828932 (E_RNA)
where:
Base-Base interactions energy: -47.446
where: short stacking energy: -42.342
Base-Backbone interact. energy: -0.011
local terms energy: -42.371488
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -8.262
flat angles C4'-P-C4' energy: -7.839
flat angles P-C4'-P energy: -2.678
tors. eta vs tors. theta energy: -10.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -79.961333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.961333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.961333 (E_RNA)
where:
Base-Base interactions energy: -35.977
where: short stacking energy: -23.074
Base-Backbone interact. energy: -0.037
local terms energy: -43.947443
where:
bonds (distance) C4'-P energy: -11.292
bonds (distance) P-C4' energy: -10.482
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -8.917
tors. eta vs tors. theta energy: 1.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -225.185176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.185176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.185176 (E_RNA)
where:
Base-Base interactions energy: -143.470
where: short stacking energy: -71.210
Base-Backbone interact. energy: -0.184
local terms energy: -81.531114
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: -18.334
flat angles P-C4'-P energy: -10.134
tors. eta vs tors. theta energy: -20.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -219.696796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.696796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.696796 (E_RNA)
where:
Base-Base interactions energy: -139.409
where: short stacking energy: -68.121
Base-Backbone interact. energy: -0.008
local terms energy: -80.280503
where:
bonds (distance) C4'-P energy: -17.423
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -15.512
flat angles P-C4'-P energy: -8.847
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: 3, replica: 4
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -203.187601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.187601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.187601 (E_RNA)
where:
Base-Base interactions energy: -136.554
where: short stacking energy: -54.191
Base-Backbone interact. energy: -0.105
local terms energy: -66.528034
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -16.872
flat angles C4'-P-C4' energy: -16.016
flat angles P-C4'-P energy: -8.243
tors. eta vs tors. theta energy: -12.848
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: 4, replica: 6
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -167.112365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.112365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.112365 (E_RNA)
where:
Base-Base interactions energy: -117.692
where: short stacking energy: -39.146
Base-Backbone interact. energy: -0.335
local terms energy: -49.085129
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -9.348
flat angles P-C4'-P energy: -2.858
tors. eta vs tors. theta energy: -5.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -155.564138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.564138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.564138 (E_RNA)
where:
Base-Base interactions energy: -88.142
where: short stacking energy: -52.279
Base-Backbone interact. energy: -0.054
local terms energy: -67.368324
where:
bonds (distance) C4'-P energy: -11.882
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -16.062
flat angles P-C4'-P energy: -13.261
tors. eta vs tors. theta energy: -11.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -173.881726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.881726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.881726 (E_RNA)
where:
Base-Base interactions energy: -114.291
where: short stacking energy: -55.026
Base-Backbone interact. energy: -0.204
local terms energy: -59.386782
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -8.722
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -7.147
tors. eta vs tors. theta energy: -11.798
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: 7, replica: 3
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -112.226493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.226493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.226493 (E_RNA)
where:
Base-Base interactions energy: -64.145
where: short stacking energy: -26.496
Base-Backbone interact. energy: -0.069
local terms energy: -48.013124
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -13.389
flat angles P-C4'-P energy: -3.869
tors. eta vs tors. theta energy: -1.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -100.254507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.254507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.254507 (E_RNA)
where:
Base-Base interactions energy: -50.313
where: short stacking energy: -30.733
Base-Backbone interact. energy: -0.026
local terms energy: -49.915809
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -14.978
flat angles C4'-P-C4' energy: -7.801
flat angles P-C4'-P energy: -9.181
tors. eta vs tors. theta energy: -5.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -80.609608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.609608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.609608 (E_RNA)
where:
Base-Base interactions energy: -29.598
where: short stacking energy: -29.598
Base-Backbone interact. energy: -0.037
local terms energy: -50.975107
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -6.360
flat angles P-C4'-P energy: -6.025
tors. eta vs tors. theta energy: -4.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -78.894846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.894846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.894846 (E_RNA)
where:
Base-Base interactions energy: -22.605
where: short stacking energy: -22.605
Base-Backbone interact. energy: -0.123
local terms energy: -56.166919
where:
bonds (distance) C4'-P energy: -16.508
bonds (distance) P-C4' energy: -14.602
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -9.513
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: 1, replica: 2
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -225.487308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.487308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.487308 (E_RNA)
where:
Base-Base interactions energy: -141.827
where: short stacking energy: -69.303
Base-Backbone interact. energy: -0.001
local terms energy: -83.659291
where:
bonds (distance) C4'-P energy: -14.514
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -17.141
flat angles P-C4'-P energy: -13.503
tors. eta vs tors. theta energy: -22.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -216.307695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.307695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.307695 (E_RNA)
where:
Base-Base interactions energy: -146.438
where: short stacking energy: -67.231
Base-Backbone interact. energy: -0.698
local terms energy: -69.171237
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -6.154
tors. eta vs tors. theta energy: -18.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -213.566604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.566604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.566604 (E_RNA)
where:
Base-Base interactions energy: -136.066
where: short stacking energy: -71.291
Base-Backbone interact. energy: -0.025
local terms energy: -77.475731
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -14.458
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -19.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -149.789389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.789389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.789389 (E_RNA)
where:
Base-Base interactions energy: -85.875
where: short stacking energy: -47.829
Base-Backbone interact. energy: -0.227
local terms energy: -63.686888
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -16.439
flat angles P-C4'-P energy: -11.875
tors. eta vs tors. theta energy: -8.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -145.836579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.836579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.836579 (E_RNA)
where:
Base-Base interactions energy: -81.852
where: short stacking energy: -48.003
Base-Backbone interact. energy: -0.089
local terms energy: -63.895921
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -11.375
tors. eta vs tors. theta energy: -10.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -169.952038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.952038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.952038 (E_RNA)
where:
Base-Base interactions energy: -106.704
where: short stacking energy: -48.926
Base-Backbone interact. energy: -0.011
local terms energy: -63.236812
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -9.186
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: 3
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -87.865579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.865579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.865579 (E_RNA)
where:
Base-Base interactions energy: -28.669
where: short stacking energy: -27.061
Base-Backbone interact. energy: -0.104
local terms energy: -59.092590
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -4.117
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: 5
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -78.128524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.128524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.128524 (E_RNA)
where:
Base-Base interactions energy: -32.376
where: short stacking energy: -29.296
Base-Backbone interact. energy: -0.195
local terms energy: -45.557509
where:
bonds (distance) C4'-P energy: -9.383
bonds (distance) P-C4' energy: -16.655
flat angles C4'-P-C4' energy: -8.728
flat angles P-C4'-P energy: -9.915
tors. eta vs tors. theta energy: -0.877
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: 8
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -82.292542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.292542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.292542 (E_RNA)
where:
Base-Base interactions energy: -36.806
where: short stacking energy: -36.806
Base-Backbone interact. energy: -0.161
local terms energy: -45.325087
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -10.300
flat angles C4'-P-C4' energy: -9.934
flat angles P-C4'-P energy: -8.586
tors. eta vs tors. theta energy: -5.359
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: 7
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -79.446719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.446719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.446719 (E_RNA)
where:
Base-Base interactions energy: -32.649
where: short stacking energy: -32.548
Base-Backbone interact. energy: -0.122
local terms energy: -46.676064
where:
bonds (distance) C4'-P energy: -7.503
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -11.010
flat angles P-C4'-P energy: -8.885
tors. eta vs tors. theta energy: -5.587
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: 4
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -219.986322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.986322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.986322 (E_RNA)
where:
Base-Base interactions energy: -142.271
where: short stacking energy: -65.419
Base-Backbone interact. energy: -0.012
local terms energy: -77.704188
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -17.859
flat angles C4'-P-C4' energy: -15.626
flat angles P-C4'-P energy: -10.468
tors. eta vs tors. theta energy: -19.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -224.407256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.407256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.407256 (E_RNA)
where:
Base-Base interactions energy: -142.217
where: short stacking energy: -72.709
Base-Backbone interact. energy: -0.013
local terms energy: -82.177183
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -16.148
flat angles P-C4'-P energy: -12.386
tors. eta vs tors. theta energy: -24.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -208.086738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.086738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.086738 (E_RNA)
where:
Base-Base interactions energy: -130.005
where: short stacking energy: -67.890
Base-Backbone interact. energy: -0.896
local terms energy: -77.186013
where:
bonds (distance) C4'-P energy: -13.918
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -15.043
flat angles P-C4'-P energy: -12.530
tors. eta vs tors. theta energy: -19.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -145.962359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.962359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.962359 (E_RNA)
where:
Base-Base interactions energy: -85.313
where: short stacking energy: -40.507
Base-Backbone interact. energy: -0.376
local terms energy: -60.272833
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -14.512
flat angles C4'-P-C4' energy: -14.893
flat angles P-C4'-P energy: -12.360
tors. eta vs tors. theta energy: -5.887
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: 1
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -178.165024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.165024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.165024 (E_RNA)
where:
Base-Base interactions energy: -108.149
where: short stacking energy: -46.872
Base-Backbone interact. energy: -0.364
local terms energy: -69.651990
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -16.096
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: -12.947
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: 6
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -155.555820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.555820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.555820 (E_RNA)
where:
Base-Base interactions energy: -89.763
where: short stacking energy: -46.282
Base-Backbone interact. energy: 0.007
local terms energy: -65.799545
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -10.865
flat angles P-C4'-P energy: -11.143
tors. eta vs tors. theta energy: -12.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -86.814403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.814403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.814403 (E_RNA)
where:
Base-Base interactions energy: -43.171
where: short stacking energy: -33.243
Base-Backbone interact. energy: 0.368
local terms energy: -44.011112
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -12.780
flat angles C4'-P-C4' energy: -9.749
flat angles P-C4'-P energy: -8.509
tors. eta vs tors. theta energy: -1.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -76.041126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.041126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.041126 (E_RNA)
where:
Base-Base interactions energy: -25.831
where: short stacking energy: -25.831
Base-Backbone interact. energy: 0.041
local terms energy: -50.251022
where:
bonds (distance) C4'-P energy: -13.588
bonds (distance) P-C4' energy: -14.178
flat angles C4'-P-C4' energy: -8.944
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -2.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -78.758600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.758600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.758600 (E_RNA)
where:
Base-Base interactions energy: -19.206
where: short stacking energy: -16.764
Base-Backbone interact. energy: -0.215
local terms energy: -59.337124
where:
bonds (distance) C4'-P energy: -16.296
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -14.243
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -2.099
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: 8
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -78.365384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.365384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.365384 (E_RNA)
where:
Base-Base interactions energy: -32.659
where: short stacking energy: -32.659
Base-Backbone interact. energy: -0.213
local terms energy: -45.493398
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -10.779
flat angles C4'-P-C4' energy: -6.709
flat angles P-C4'-P energy: -7.092
tors. eta vs tors. theta energy: -7.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -217.942467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.942467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.942467 (E_RNA)
where:
Base-Base interactions energy: -152.633
where: short stacking energy: -71.435
Base-Backbone interact. energy: -0.103
local terms energy: -65.206594
where:
bonds (distance) C4'-P energy: -7.725
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: -17.987
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: 10
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -212.901424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.901424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.901424 (E_RNA)
where:
Base-Base interactions energy: -135.686
where: short stacking energy: -72.315
Base-Backbone interact. energy: -0.034
local terms energy: -77.181417
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -12.451
flat angles P-C4'-P energy: -9.778
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: 2
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -212.822508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.822508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.822508 (E_RNA)
where:
Base-Base interactions energy: -139.887
where: short stacking energy: -69.324
Base-Backbone interact. energy: -0.034
local terms energy: -72.901817
where:
bonds (distance) C4'-P energy: -9.893
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -16.186
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -20.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -183.962415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.962415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.962415 (E_RNA)
where:
Base-Base interactions energy: -116.571
where: short stacking energy: -51.520
Base-Backbone interact. energy: 0.062
local terms energy: -67.453445
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -13.813
flat angles C4'-P-C4' energy: -14.089
flat angles P-C4'-P energy: -12.646
tors. eta vs tors. theta energy: -14.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -155.474700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.474700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.474700 (E_RNA)
where:
Base-Base interactions energy: -91.491
where: short stacking energy: -56.908
Base-Backbone interact. energy: -0.115
local terms energy: -63.868720
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -14.705
flat angles P-C4'-P energy: -5.253
tors. eta vs tors. theta energy: -14.385
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: 3
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -100.321248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.321248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.321248 (E_RNA)
where:
Base-Base interactions energy: -51.164
where: short stacking energy: -22.799
Base-Backbone interact. energy: -0.037
local terms energy: -49.120328
where:
bonds (distance) C4'-P energy: -10.377
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -13.542
flat angles P-C4'-P energy: -6.040
tors. eta vs tors. theta energy: -1.226
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: 6
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -138.014636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.014636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.014636 (E_RNA)
where:
Base-Base interactions energy: -87.920
where: short stacking energy: -44.967
Base-Backbone interact. energy: -0.522
local terms energy: -49.572633
where:
bonds (distance) C4'-P energy: -10.161
bonds (distance) P-C4' energy: -9.965
flat angles C4'-P-C4' energy: -12.582
flat angles P-C4'-P energy: -8.202
tors. eta vs tors. theta energy: -8.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -94.895956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.895956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.895956 (E_RNA)
where:
Base-Base interactions energy: -39.420
where: short stacking energy: -28.866
Base-Backbone interact. energy: -0.115
local terms energy: -55.361192
where:
bonds (distance) C4'-P energy: -8.579
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -15.723
flat angles P-C4'-P energy: -6.502
tors. eta vs tors. theta energy: -7.931
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: 9, replica: 5
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -75.322893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.322893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.322893 (E_RNA)
where:
Base-Base interactions energy: -26.184
where: short stacking energy: -25.824
Base-Backbone interact. energy: -0.232
local terms energy: -48.907302
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -13.143
flat angles C4'-P-C4' energy: -11.929
flat angles P-C4'-P energy: -3.801
tors. eta vs tors. theta energy: -6.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -76.305488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.305488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.305488 (E_RNA)
where:
Base-Base interactions energy: -31.623
where: short stacking energy: -16.527
Base-Backbone interact. energy: -0.028
local terms energy: -44.655106
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -11.092
flat angles P-C4'-P energy: -7.307
tors. eta vs tors. theta energy: 1.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -221.499249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.499249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.499249 (E_RNA)
where:
Base-Base interactions energy: -143.268
where: short stacking energy: -73.720
Base-Backbone interact. energy: -0.007
local terms energy: -78.223982
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -14.236
flat angles P-C4'-P energy: -14.790
tors. eta vs tors. theta energy: -20.927
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: 128
Temperature: 0.950000
Total energy: -220.420736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.420736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.420736 (E_RNA)
where:
Base-Base interactions energy: -139.136
where: short stacking energy: -67.201
Base-Backbone interact. energy: -0.021
local terms energy: -81.263961
where:
bonds (distance) C4'-P energy: -15.900
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -16.378
flat angles P-C4'-P energy: -10.499
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: 3, replica: 1
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -195.249784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.249784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.249784 (E_RNA)
where:
Base-Base interactions energy: -126.750
where: short stacking energy: -52.997
Base-Backbone interact. energy: -0.074
local terms energy: -68.425080
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -13.640
flat angles C4'-P-C4' energy: -14.682
flat angles P-C4'-P energy: -14.504
tors. eta vs tors. theta energy: -11.602
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: 2
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -206.038497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.038497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.038497 (E_RNA)
where:
Base-Base interactions energy: -133.458
where: short stacking energy: -62.168
Base-Backbone interact. energy: -0.188
local terms energy: -72.391831
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -17.593
flat angles P-C4'-P energy: -11.662
tors. eta vs tors. theta energy: -11.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -194.815357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.815357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.815357 (E_RNA)
where:
Base-Base interactions energy: -126.899
where: short stacking energy: -51.829
Base-Backbone interact. energy: -0.008
local terms energy: -67.908189
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -17.153
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -13.583
tors. eta vs tors. theta energy: -12.098
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: 3
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -98.594123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.594123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.594123 (E_RNA)
where:
Base-Base interactions energy: -37.564
where: short stacking energy: -25.493
Base-Backbone interact. energy: 0.360
local terms energy: -61.389924
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -17.102
flat angles C4'-P-C4' energy: -14.391
flat angles P-C4'-P energy: -8.932
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: 7, replica: 6
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -143.671034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.671034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.671034 (E_RNA)
where:
Base-Base interactions energy: -91.222
where: short stacking energy: -51.606
Base-Backbone interact. energy: -0.133
local terms energy: -52.315602
where:
bonds (distance) C4'-P energy: -3.360
bonds (distance) P-C4' energy: -16.711
flat angles C4'-P-C4' energy: -10.989
flat angles P-C4'-P energy: -8.886
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: 8, replica: 7
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -83.629461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.629461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.629461 (E_RNA)
where:
Base-Base interactions energy: -27.449
where: short stacking energy: -26.811
Base-Backbone interact. energy: -0.168
local terms energy: -56.012238
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -11.798
flat angles P-C4'-P energy: -11.210
tors. eta vs tors. theta energy: -1.566
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: 9, replica: 8
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -91.560530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.560530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.560530 (E_RNA)
where:
Base-Base interactions energy: -38.251
where: short stacking energy: -21.275
Base-Backbone interact. energy: 0.866
local terms energy: -54.175241
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -14.970
flat angles C4'-P-C4' energy: -13.891
flat angles P-C4'-P energy: -7.828
tors. eta vs tors. theta energy: -4.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -84.032200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.032200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.032200 (E_RNA)
where:
Base-Base interactions energy: -41.704
where: short stacking energy: -37.974
Base-Backbone interact. energy: -0.036
local terms energy: -42.292228
where:
bonds (distance) C4'-P energy: -10.315
bonds (distance) P-C4' energy: -12.060
flat angles C4'-P-C4' energy: -8.919
flat angles P-C4'-P energy: -5.177
tors. eta vs tors. theta energy: -5.821
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: 10
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -223.888273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.888273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.888273 (E_RNA)
where:
Base-Base interactions energy: -140.006
where: short stacking energy: -72.852
Base-Backbone interact. energy: 0.595
local terms energy: -84.477133
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -17.317
flat angles P-C4'-P energy: -13.274
tors. eta vs tors. theta energy: -22.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -221.405305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.405305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.405305 (E_RNA)
where:
Base-Base interactions energy: -140.168
where: short stacking energy: -73.799
Base-Backbone interact. energy: -0.452
local terms energy: -80.784675
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -17.000
flat angles P-C4'-P energy: -12.205
tors. eta vs tors. theta energy: -20.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -195.721255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.721255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.721255 (E_RNA)
where:
Base-Base interactions energy: -121.507
where: short stacking energy: -65.198
Base-Backbone interact. energy: -0.926
local terms energy: -73.288619
where:
bonds (distance) C4'-P energy: -10.975
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -17.114
flat angles P-C4'-P energy: -12.348
tors. eta vs tors. theta energy: -17.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -199.117895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.117895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.117895 (E_RNA)
where:
Base-Base interactions energy: -129.358
where: short stacking energy: -60.951
Base-Backbone interact. energy: -0.188
local terms energy: -69.571487
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -14.010
flat angles C4'-P-C4' energy: -15.666
flat angles P-C4'-P energy: -9.640
tors. eta vs tors. theta energy: -13.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -202.519376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.519376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.519376 (E_RNA)
where:
Base-Base interactions energy: -139.016
where: short stacking energy: -62.243
Base-Backbone interact. energy: -0.093
local terms energy: -63.409983
where:
bonds (distance) C4'-P energy: -10.920
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -12.035
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: 6, replica: 6
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -126.009284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.009284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.009284 (E_RNA)
where:
Base-Base interactions energy: -76.406
where: short stacking energy: -37.786
Base-Backbone interact. energy: -0.219
local terms energy: -49.383906
where:
bonds (distance) C4'-P energy: -10.087
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -14.241
flat angles P-C4'-P energy: -6.318
tors. eta vs tors. theta energy: -3.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -113.664011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.664011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.664011 (E_RNA)
where:
Base-Base interactions energy: -44.933
where: short stacking energy: -44.571
Base-Backbone interact. energy: -0.008
local terms energy: -68.723751
where:
bonds (distance) C4'-P energy: -11.296
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -16.866
flat angles P-C4'-P energy: -9.436
tors. eta vs tors. theta energy: -14.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -87.399416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.399416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.399416 (E_RNA)
where:
Base-Base interactions energy: -43.073
where: short stacking energy: -26.612
Base-Backbone interact. energy: 3.266
local terms energy: -47.592490
where:
bonds (distance) C4'-P energy: -10.150
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -13.118
flat angles P-C4'-P energy: -9.214
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: 9, replica: 7
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -91.079951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.079951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.079951 (E_RNA)
where:
Base-Base interactions energy: -39.720
where: short stacking energy: -17.153
Base-Backbone interact. energy: -0.001
local terms energy: -51.358986
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -12.578
flat angles P-C4'-P energy: -8.115
tors. eta vs tors. theta energy: -2.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -77.062355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.062355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.062355 (E_RNA)
where:
Base-Base interactions energy: -35.682
where: short stacking energy: -27.171
Base-Backbone interact. energy: 1.682
local terms energy: -43.061813
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -11.473
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -6.700
tors. eta vs tors. theta energy: 0.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -218.114647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.114647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.114647 (E_RNA)
where:
Base-Base interactions energy: -137.530
where: short stacking energy: -67.308
Base-Backbone interact. energy: -0.305
local terms energy: -80.279690
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -12.597
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: 10
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -221.048316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.048316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.048316 (E_RNA)
where:
Base-Base interactions energy: -138.856
where: short stacking energy: -74.113
Base-Backbone interact. energy: -0.007
local terms energy: -82.185785
where:
bonds (distance) C4'-P energy: -13.628
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -18.479
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: -21.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -191.355749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.355749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.355749 (E_RNA)
where:
Base-Base interactions energy: -115.899
where: short stacking energy: -54.228
Base-Backbone interact. energy: -0.111
local terms energy: -75.345534
where:
bonds (distance) C4'-P energy: -15.512
bonds (distance) P-C4' energy: -15.018
flat angles C4'-P-C4' energy: -15.565
flat angles P-C4'-P energy: -10.866
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: 4, replica: 1
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -189.708874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.708874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.708874 (E_RNA)
where:
Base-Base interactions energy: -120.113
where: short stacking energy: -63.591
Base-Backbone interact. energy: -0.048
local terms energy: -69.548059
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -6.862
tors. eta vs tors. theta energy: -17.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -201.231023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.231023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.231023 (E_RNA)
where:
Base-Base interactions energy: -133.741
where: short stacking energy: -58.096
Base-Backbone interact. energy: -0.668
local terms energy: -66.822372
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -12.340
flat angles C4'-P-C4' energy: -13.965
flat angles P-C4'-P energy: -12.131
tors. eta vs tors. theta energy: -15.112
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: 6
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -139.204006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.204006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.204006 (E_RNA)
where:
Base-Base interactions energy: -82.676
where: short stacking energy: -45.491
Base-Backbone interact. energy: -1.262
local terms energy: -55.266173
where:
bonds (distance) C4'-P energy: -9.827
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -13.068
flat angles P-C4'-P energy: -7.374
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: 7, replica: 3
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -91.123081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.123081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.123081 (E_RNA)
where:
Base-Base interactions energy: -38.007
where: short stacking energy: -36.295
Base-Backbone interact. energy: 2.608
local terms energy: -55.723973
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -16.356
flat angles C4'-P-C4' energy: -9.009
flat angles P-C4'-P energy: -9.874
tors. eta vs tors. theta energy: -3.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -87.886863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.886863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.886863 (E_RNA)
where:
Base-Base interactions energy: -37.944
where: short stacking energy: -28.012
Base-Backbone interact. energy: -0.302
local terms energy: -49.640411
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -10.796
flat angles P-C4'-P energy: -4.076
tors. eta vs tors. theta energy: -4.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -82.302144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.302144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.302144 (E_RNA)
where:
Base-Base interactions energy: -36.876
where: short stacking energy: -36.876
Base-Backbone interact. energy: -0.087
local terms energy: -45.338929
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -12.525
flat angles C4'-P-C4' energy: -10.810
flat angles P-C4'-P energy: -4.987
tors. eta vs tors. theta energy: -4.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -72.851636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.851636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.851636 (E_RNA)
where:
Base-Base interactions energy: -25.954
where: short stacking energy: -19.649
Base-Backbone interact. energy: -0.801
local terms energy: -46.095953
where:
bonds (distance) C4'-P energy: -9.063
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -12.535
flat angles P-C4'-P energy: -7.628
tors. eta vs tors. theta energy: -2.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -225.392629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.392629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.392629 (E_RNA)
where:
Base-Base interactions energy: -142.736
where: short stacking energy: -72.787
Base-Backbone interact. energy: -0.058
local terms energy: -82.598972
where:
bonds (distance) C4'-P energy: -15.495
bonds (distance) P-C4' energy: -13.581
flat angles C4'-P-C4' energy: -16.861
flat angles P-C4'-P energy: -13.215
tors. eta vs tors. theta energy: -23.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -217.658584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.658584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.658584 (E_RNA)
where:
Base-Base interactions energy: -138.905
where: short stacking energy: -62.713
Base-Backbone interact. energy: -0.004
local terms energy: -78.749100
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -16.905
flat angles P-C4'-P energy: -12.735
tors. eta vs tors. theta energy: -16.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -201.722522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.722522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.722522 (E_RNA)
where:
Base-Base interactions energy: -125.669
where: short stacking energy: -66.893
Base-Backbone interact. energy: -0.015
local terms energy: -76.038020
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -12.070
flat angles C4'-P-C4' energy: -18.454
flat angles P-C4'-P energy: -11.477
tors. eta vs tors. theta energy: -19.863
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: 1
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -180.893194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.893194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.893194 (E_RNA)
where:
Base-Base interactions energy: -120.205
where: short stacking energy: -54.788
Base-Backbone interact. energy: 1.903
local terms energy: -62.591032
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -13.082
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: -12.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -177.731908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.731908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.731908 (E_RNA)
where:
Base-Base interactions energy: -113.079
where: short stacking energy: -47.143
Base-Backbone interact. energy: -0.047
local terms energy: -64.605762
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -13.143
flat angles C4'-P-C4' energy: -11.519
flat angles P-C4'-P energy: -12.316
tors. eta vs tors. theta energy: -14.584
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: 6
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -145.208300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.208300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.208300 (E_RNA)
where:
Base-Base interactions energy: -84.572
where: short stacking energy: -42.069
Base-Backbone interact. energy: -0.109
local terms energy: -60.527728
where:
bonds (distance) C4'-P energy: -13.176
bonds (distance) P-C4' energy: -10.335
flat angles C4'-P-C4' energy: -13.093
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -12.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -96.693809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.693809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.693809 (E_RNA)
where:
Base-Base interactions energy: -59.678
where: short stacking energy: -18.541
Base-Backbone interact. energy: -0.165
local terms energy: -36.851016
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -9.685
flat angles C4'-P-C4' energy: -12.531
flat angles P-C4'-P energy: -6.813
tors. eta vs tors. theta energy: 4.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -104.641534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.641534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.641534 (E_RNA)
where:
Base-Base interactions energy: -55.973
where: short stacking energy: -28.507
Base-Backbone interact. energy: -0.624
local terms energy: -48.044699
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -15.732
flat angles C4'-P-C4' energy: -9.202
flat angles P-C4'-P energy: -4.446
tors. eta vs tors. theta energy: -3.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -89.216150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.216150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.216150 (E_RNA)
where:
Base-Base interactions energy: -47.509
where: short stacking energy: -14.322
Base-Backbone interact. energy: 0.858
local terms energy: -42.565430
where:
bonds (distance) C4'-P energy: -10.016
bonds (distance) P-C4' energy: -13.685
flat angles C4'-P-C4' energy: -11.145
flat angles P-C4'-P energy: -8.031
tors. eta vs tors. theta energy: 0.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -73.612258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.612258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.612258 (E_RNA)
where:
Base-Base interactions energy: -26.323
where: short stacking energy: -25.306
Base-Backbone interact. energy: -0.006
local terms energy: -47.283316
where:
bonds (distance) C4'-P energy: -11.014
bonds (distance) P-C4' energy: -11.623
flat angles C4'-P-C4' energy: -12.415
flat angles P-C4'-P energy: -8.963
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: 1, replica: 10
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -221.370318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.370318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.370318 (E_RNA)
where:
Base-Base interactions energy: -145.348
where: short stacking energy: -74.984
Base-Backbone interact. energy: -0.819
local terms energy: -75.203194
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -14.651
flat angles P-C4'-P energy: -7.663
tors. eta vs tors. theta energy: -20.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -221.236288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.236288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.236288 (E_RNA)
where:
Base-Base interactions energy: -143.928
where: short stacking energy: -69.911
Base-Backbone interact. energy: -0.362
local terms energy: -76.945947
where:
bonds (distance) C4'-P energy: -12.071
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -14.243
flat angles P-C4'-P energy: -11.885
tors. eta vs tors. theta energy: -22.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -195.949545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.949545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.949545 (E_RNA)
where:
Base-Base interactions energy: -121.047
where: short stacking energy: -62.345
Base-Backbone interact. energy: -0.001
local terms energy: -74.901833
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -12.485
flat angles P-C4'-P energy: -10.303
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: 4, replica: 1
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -183.962928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.962928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.962928 (E_RNA)
where:
Base-Base interactions energy: -109.310
where: short stacking energy: -51.577
Base-Backbone interact. energy: -0.418
local terms energy: -74.235485
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -16.236
flat angles C4'-P-C4' energy: -19.662
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -13.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -186.748517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.748517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.748517 (E_RNA)
where:
Base-Base interactions energy: -120.961
where: short stacking energy: -58.623
Base-Backbone interact. energy: -0.050
local terms energy: -65.737594
where:
bonds (distance) C4'-P energy: -12.654
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -13.111
flat angles P-C4'-P energy: -7.153
tors. eta vs tors. theta energy: -18.548
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: 6
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -163.262131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.262131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.262131 (E_RNA)
where:
Base-Base interactions energy: -98.865
where: short stacking energy: -48.365
Base-Backbone interact. energy: -0.179
local terms energy: -64.218186
where:
bonds (distance) C4'-P energy: -12.932
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -9.626
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -10.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -98.421542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.421542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.421542 (E_RNA)
where:
Base-Base interactions energy: -40.435
where: short stacking energy: -40.435
Base-Backbone interact. energy: -0.029
local terms energy: -57.957836
where:
bonds (distance) C4'-P energy: -13.666
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -13.117
flat angles P-C4'-P energy: -7.228
tors. eta vs tors. theta energy: -8.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -94.293203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.293203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.293203 (E_RNA)
where:
Base-Base interactions energy: -42.423
where: short stacking energy: -38.708
Base-Backbone interact. energy: 0.095
local terms energy: -51.965152
where:
bonds (distance) C4'-P energy: -10.633
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -10.381
flat angles P-C4'-P energy: -4.632
tors. eta vs tors. theta energy: -10.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -81.302574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.302574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.302574 (E_RNA)
where:
Base-Base interactions energy: -36.817
where: short stacking energy: -34.419
Base-Backbone interact. energy: -0.137
local terms energy: -44.348675
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -9.686
flat angles C4'-P-C4' energy: -10.879
flat angles P-C4'-P energy: -9.601
tors. eta vs tors. theta energy: -0.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -70.547949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.547949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.547949 (E_RNA)
where:
Base-Base interactions energy: -30.111
where: short stacking energy: -26.054
Base-Backbone interact. energy: -0.288
local terms energy: -40.149142
where:
bonds (distance) C4'-P energy: -9.964
bonds (distance) P-C4' energy: -11.466
flat angles C4'-P-C4' energy: -9.618
flat angles P-C4'-P energy: -8.572
tors. eta vs tors. theta energy: -0.528
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: 1, replica: 10
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -222.577905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.577905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.577905 (E_RNA)
where:
Base-Base interactions energy: -140.572
where: short stacking energy: -73.788
Base-Backbone interact. energy: -0.008
local terms energy: -81.998016
where:
bonds (distance) C4'-P energy: -13.810
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -16.391
flat angles P-C4'-P energy: -11.446
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: 2, replica: 4
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -216.994195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.994195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.994195 (E_RNA)
where:
Base-Base interactions energy: -140.785
where: short stacking energy: -73.014
Base-Backbone interact. energy: -0.003
local terms energy: -76.206693
where:
bonds (distance) C4'-P energy: -14.891
bonds (distance) P-C4' energy: -11.701
flat angles C4'-P-C4' energy: -16.270
flat angles P-C4'-P energy: -12.619
tors. eta vs tors. theta energy: -20.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -190.451547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.451547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.451547 (E_RNA)
where:
Base-Base interactions energy: -119.811
where: short stacking energy: -58.076
Base-Backbone interact. energy: -0.014
local terms energy: -70.626319
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -15.473
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -13.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -188.305928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.305928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.305928 (E_RNA)
where:
Base-Base interactions energy: -119.578
where: short stacking energy: -59.337
Base-Backbone interact. energy: -0.474
local terms energy: -68.254079
where:
bonds (distance) C4'-P energy: -11.995
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -16.907
flat angles P-C4'-P energy: -7.741
tors. eta vs tors. theta energy: -16.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -187.334893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.334893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.334893 (E_RNA)
where:
Base-Base interactions energy: -124.033
where: short stacking energy: -56.554
Base-Backbone interact. energy: 0.508
local terms energy: -63.810084
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -11.184
flat angles P-C4'-P energy: -7.630
tors. eta vs tors. theta energy: -15.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -198.877533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.877533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.877533 (E_RNA)
where:
Base-Base interactions energy: -135.804
where: short stacking energy: -62.183
Base-Backbone interact. energy: -0.084
local terms energy: -62.989399
where:
bonds (distance) C4'-P energy: -8.308
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -14.446
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: -17.329
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: 5
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -91.162484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.162484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.162484 (E_RNA)
where:
Base-Base interactions energy: -42.383
where: short stacking energy: -25.407
Base-Backbone interact. energy: -0.117
local terms energy: -48.662707
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -15.879
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -2.596
tors. eta vs tors. theta energy: -1.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -79.041172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.041172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.041172 (E_RNA)
where:
Base-Base interactions energy: -31.136
where: short stacking energy: -20.144
Base-Backbone interact. energy: -0.507
local terms energy: -47.398133
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -12.259
flat angles C4'-P-C4' energy: -12.465
flat angles P-C4'-P energy: -7.443
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: 9, replica: 3
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -87.125796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.125796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.125796 (E_RNA)
where:
Base-Base interactions energy: -33.980
where: short stacking energy: -26.387
Base-Backbone interact. energy: -0.214
local terms energy: -52.931312
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -13.597
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -8.861
tors. eta vs tors. theta energy: -1.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -70.952092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.952092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.952092 (E_RNA)
where:
Base-Base interactions energy: -33.716
where: short stacking energy: -20.221
Base-Backbone interact. energy: -0.492
local terms energy: -36.744208
where:
bonds (distance) C4'-P energy: -10.133
bonds (distance) P-C4' energy: -9.066
flat angles C4'-P-C4' energy: -9.409
flat angles P-C4'-P energy: -8.645
tors. eta vs tors. theta energy: 0.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -201.024429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.024429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.024429 (E_RNA)
where:
Base-Base interactions energy: -129.660
where: short stacking energy: -64.350
Base-Backbone interact. energy: -0.913
local terms energy: -70.451327
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -15.442
flat angles P-C4'-P energy: -8.613
tors. eta vs tors. theta energy: -14.778
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: 10
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -223.314760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.314760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.314760 (E_RNA)
where:
Base-Base interactions energy: -140.895
where: short stacking energy: -70.063
Base-Backbone interact. energy: -0.004
local terms energy: -82.415432
where:
bonds (distance) C4'-P energy: -17.622
bonds (distance) P-C4' energy: -13.306
flat angles C4'-P-C4' energy: -16.984
flat angles P-C4'-P energy: -14.098
tors. eta vs tors. theta energy: -20.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -201.394358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.394358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.394358 (E_RNA)
where:
Base-Base interactions energy: -125.979
where: short stacking energy: -65.643
Base-Backbone interact. energy: -0.827
local terms energy: -74.588256
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -16.019
flat angles P-C4'-P energy: -9.742
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: 4, replica: 9
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -198.202277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.202277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.202277 (E_RNA)
where:
Base-Base interactions energy: -130.881
where: short stacking energy: -67.684
Base-Backbone interact. energy: -0.000
local terms energy: -67.321283
where:
bonds (distance) C4'-P energy: -13.214
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -5.069
tors. eta vs tors. theta energy: -18.620
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: 6
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -181.708584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.708584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.708584 (E_RNA)
where:
Base-Base interactions energy: -119.168
where: short stacking energy: -56.679
Base-Backbone interact. energy: -0.001
local terms energy: -62.539278
where:
bonds (distance) C4'-P energy: -8.166
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -9.900
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: 6, replica: 1
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -202.819299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.819299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.819299 (E_RNA)
where:
Base-Base interactions energy: -126.719
where: short stacking energy: -62.264
Base-Backbone interact. energy: 0.359
local terms energy: -76.459097
where:
bonds (distance) C4'-P energy: -16.030
bonds (distance) P-C4' energy: -14.558
flat angles C4'-P-C4' energy: -17.783
flat angles P-C4'-P energy: -9.336
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: 7, replica: 5
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -96.348596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.348596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.348596 (E_RNA)
where:
Base-Base interactions energy: -33.495
where: short stacking energy: -30.167
Base-Backbone interact. energy: -0.001
local terms energy: -62.853223
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -13.039
flat angles C4'-P-C4' energy: -17.548
flat angles P-C4'-P energy: -8.532
tors. eta vs tors. theta energy: -8.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -83.078723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.078723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.078723 (E_RNA)
where:
Base-Base interactions energy: -28.895
where: short stacking energy: -20.299
Base-Backbone interact. energy: -0.396
local terms energy: -53.788393
where:
bonds (distance) C4'-P energy: -17.062
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -10.448
flat angles P-C4'-P energy: -6.718
tors. eta vs tors. theta energy: -1.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -96.393442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.393442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.393442 (E_RNA)
where:
Base-Base interactions energy: -41.706
where: short stacking energy: -35.847
Base-Backbone interact. energy: -0.450
local terms energy: -54.237461
where:
bonds (distance) C4'-P energy: -7.598
bonds (distance) P-C4' energy: -17.138
flat angles C4'-P-C4' energy: -12.132
flat angles P-C4'-P energy: -9.184
tors. eta vs tors. theta energy: -8.185
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: 3
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -77.203800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.203800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.203800 (E_RNA)
where:
Base-Base interactions energy: -24.792
where: short stacking energy: -21.457
Base-Backbone interact. energy: -0.676
local terms energy: -51.735877
where:
bonds (distance) C4'-P energy: -11.880
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -14.695
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: 1.604
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: 4
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -199.320508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.320508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.320508 (E_RNA)
where:
Base-Base interactions energy: -133.135
where: short stacking energy: -58.612
Base-Backbone interact. energy: -0.088
local terms energy: -66.097741
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -6.283
tors. eta vs tors. theta energy: -14.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -213.966584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.966584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.966584 (E_RNA)
where:
Base-Base interactions energy: -130.486
where: short stacking energy: -66.112
Base-Backbone interact. energy: -0.033
local terms energy: -83.447107
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -16.471
flat angles C4'-P-C4' energy: -15.914
flat angles P-C4'-P energy: -11.925
tors. eta vs tors. theta energy: -22.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -197.694058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.694058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.694058 (E_RNA)
where:
Base-Base interactions energy: -127.913
where: short stacking energy: -54.462
Base-Backbone interact. energy: -0.190
local terms energy: -69.591746
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -17.567
flat angles C4'-P-C4' energy: -18.178
flat angles P-C4'-P energy: -10.821
tors. eta vs tors. theta energy: -9.995
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: 6
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -198.526089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.526089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.526089 (E_RNA)
where:
Base-Base interactions energy: -131.895
where: short stacking energy: -74.544
Base-Backbone interact. energy: -0.068
local terms energy: -66.563481
where:
bonds (distance) C4'-P energy: -10.956
bonds (distance) P-C4' energy: -11.022
flat angles C4'-P-C4' energy: -16.415
flat angles P-C4'-P energy: -4.847
tors. eta vs tors. theta energy: -23.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -193.048196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.048196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.048196 (E_RNA)
where:
Base-Base interactions energy: -119.731
where: short stacking energy: -61.922
Base-Backbone interact. energy: -0.000
local terms energy: -73.317222
where:
bonds (distance) C4'-P energy: -12.317
bonds (distance) P-C4' energy: -13.041
flat angles C4'-P-C4' energy: -18.315
flat angles P-C4'-P energy: -10.328
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: 6, replica: 1
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -194.434955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.434955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.434955 (E_RNA)
where:
Base-Base interactions energy: -128.346
where: short stacking energy: -59.846
Base-Backbone interact. energy: 0.096
local terms energy: -66.184938
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -11.801
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -7.257
tors. eta vs tors. theta energy: -16.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -96.480130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.480130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.480130 (E_RNA)
where:
Base-Base interactions energy: -36.503
where: short stacking energy: -36.503
Base-Backbone interact. energy: -0.236
local terms energy: -59.741697
where:
bonds (distance) C4'-P energy: -12.303
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -9.509
flat angles P-C4'-P energy: -11.881
tors. eta vs tors. theta energy: -10.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -94.261073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.261073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.261073 (E_RNA)
where:
Base-Base interactions energy: -38.454
where: short stacking energy: -35.690
Base-Backbone interact. energy: 4.179
local terms energy: -59.985208
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -13.932
flat angles P-C4'-P energy: -10.667
tors. eta vs tors. theta energy: -5.948
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: 7
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -76.734322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.734322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.734322 (E_RNA)
where:
Base-Base interactions energy: -36.752
where: short stacking energy: -24.981
Base-Backbone interact. energy: 2.646
local terms energy: -42.628694
where:
bonds (distance) C4'-P energy: -11.126
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -5.385
tors. eta vs tors. theta energy: 0.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -82.515303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.515303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.515303 (E_RNA)
where:
Base-Base interactions energy: -26.208
where: short stacking energy: -20.471
Base-Backbone interact. energy: 0.194
local terms energy: -56.501343
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -10.590
tors. eta vs tors. theta energy: -2.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -220.663307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.663307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.663307 (E_RNA)
where:
Base-Base interactions energy: -147.517
where: short stacking energy: -70.283
Base-Backbone interact. energy: 0.851
local terms energy: -73.996872
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -14.492
flat angles C4'-P-C4' energy: -15.594
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: -19.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -200.460365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.460365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.460365 (E_RNA)
where:
Base-Base interactions energy: -135.832
where: short stacking energy: -53.354
Base-Backbone interact. energy: -0.184
local terms energy: -64.444870
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -10.015
flat angles C4'-P-C4' energy: -16.751
flat angles P-C4'-P energy: -6.085
tors. eta vs tors. theta energy: -16.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -190.004580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.004580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.004580 (E_RNA)
where:
Base-Base interactions energy: -121.050
where: short stacking energy: -58.884
Base-Backbone interact. energy: -0.014
local terms energy: -68.940980
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -13.283
flat angles P-C4'-P energy: -10.134
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: 4, replica: 2
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -195.289220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.289220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.289220 (E_RNA)
where:
Base-Base interactions energy: -125.940
where: short stacking energy: -55.159
Base-Backbone interact. energy: -0.163
local terms energy: -69.185725
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -12.000
flat angles C4'-P-C4' energy: -16.282
flat angles P-C4'-P energy: -10.504
tors. eta vs tors. theta energy: -17.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -205.191843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.191843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.191843 (E_RNA)
where:
Base-Base interactions energy: -125.823
where: short stacking energy: -65.218
Base-Backbone interact. energy: -0.009
local terms energy: -79.359589
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -17.883
flat angles C4'-P-C4' energy: -11.461
flat angles P-C4'-P energy: -12.953
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: 9
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -182.207252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.207252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.207252 (E_RNA)
where:
Base-Base interactions energy: -115.917
where: short stacking energy: -56.026
Base-Backbone interact. energy: -0.107
local terms energy: -66.183651
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -12.043
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -11.904
tors. eta vs tors. theta energy: -13.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -88.305323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.305323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.305323 (E_RNA)
where:
Base-Base interactions energy: -35.324
where: short stacking energy: -27.664
Base-Backbone interact. energy: -0.131
local terms energy: -52.850476
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -8.961
flat angles P-C4'-P energy: -8.291
tors. eta vs tors. theta energy: -6.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -97.228257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.228257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.228257 (E_RNA)
where:
Base-Base interactions energy: -47.752
where: short stacking energy: -24.285
Base-Backbone interact. energy: -0.092
local terms energy: -49.384094
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -13.074
flat angles C4'-P-C4' energy: -9.057
flat angles P-C4'-P energy: -9.772
tors. eta vs tors. theta energy: -2.116
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: 7
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -78.895800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.895800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.895800 (E_RNA)
where:
Base-Base interactions energy: -29.682
where: short stacking energy: -29.682
Base-Backbone interact. energy: -0.166
local terms energy: -49.048349
where:
bonds (distance) C4'-P energy: -12.046
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -8.122
flat angles P-C4'-P energy: -10.459
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: 3
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -81.527975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.527975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.527975 (E_RNA)
where:
Base-Base interactions energy: -28.933
where: short stacking energy: -24.078
Base-Backbone interact. energy: 2.378
local terms energy: -54.973684
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -16.569
flat angles C4'-P-C4' energy: -11.720
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -3.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -224.051126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.051126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.051126 (E_RNA)
where:
Base-Base interactions energy: -144.837
where: short stacking energy: -65.769
Base-Backbone interact. energy: -0.066
local terms energy: -79.148617
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -14.760
flat angles P-C4'-P energy: -13.138
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: 2, replica: 6
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -204.651547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.651547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.651547 (E_RNA)
where:
Base-Base interactions energy: -131.301
where: short stacking energy: -61.239
Base-Backbone interact. energy: -0.018
local terms energy: -73.333159
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -8.277
tors. eta vs tors. theta energy: -21.964
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: 3, replica: 4
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -203.120648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.120648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.120648 (E_RNA)
where:
Base-Base interactions energy: -129.829
where: short stacking energy: -62.408
Base-Backbone interact. energy: -0.319
local terms energy: -72.972757
where:
bonds (distance) C4'-P energy: -13.514
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -16.530
flat angles P-C4'-P energy: -8.072
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: 4, replica: 2
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -210.115825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.115825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.115825 (E_RNA)
where:
Base-Base interactions energy: -135.973
where: short stacking energy: -71.930
Base-Backbone interact. energy: -0.010
local terms energy: -74.132624
where:
bonds (distance) C4'-P energy: -11.256
bonds (distance) P-C4' energy: -12.516
flat angles C4'-P-C4' energy: -16.810
flat angles P-C4'-P energy: -12.983
tors. eta vs tors. theta energy: -20.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -186.460194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.460194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.460194 (E_RNA)
where:
Base-Base interactions energy: -124.983
where: short stacking energy: -54.238
Base-Backbone interact. energy: -0.703
local terms energy: -60.773956
where:
bonds (distance) C4'-P energy: -11.318
bonds (distance) P-C4' energy: -10.869
flat angles C4'-P-C4' energy: -16.296
flat angles P-C4'-P energy: -9.311
tors. eta vs tors. theta energy: -12.980
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: 9
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -174.972095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.972095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.972095 (E_RNA)
where:
Base-Base interactions energy: -109.442
where: short stacking energy: -50.968
Base-Backbone interact. energy: -0.654
local terms energy: -64.876237
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -9.749
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -8.993
tors. eta vs tors. theta energy: -14.309
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: 8
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -88.532022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.532022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.532022 (E_RNA)
where:
Base-Base interactions energy: -40.012
where: short stacking energy: -35.286
Base-Backbone interact. energy: 0.456
local terms energy: -48.975914
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -12.184
flat angles P-C4'-P energy: -3.240
tors. eta vs tors. theta energy: -4.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -78.090076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.090076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.090076 (E_RNA)
where:
Base-Base interactions energy: -30.649
where: short stacking energy: -18.439
Base-Backbone interact. energy: -0.551
local terms energy: -46.889989
where:
bonds (distance) C4'-P energy: -13.735
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -7.974
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: 5
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -83.755168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.755168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.755168 (E_RNA)
where:
Base-Base interactions energy: -32.500
where: short stacking energy: -27.221
Base-Backbone interact. energy: -0.186
local terms energy: -51.069253
where:
bonds (distance) C4'-P energy: -15.408
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -5.017
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: -4.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -77.848928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.848928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.848928 (E_RNA)
where:
Base-Base interactions energy: -36.740
where: short stacking energy: -31.623
Base-Backbone interact. energy: 0.504
local terms energy: -41.612513
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -9.243
flat angles C4'-P-C4' energy: -8.342
flat angles P-C4'-P energy: -10.339
tors. eta vs tors. theta energy: -1.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -214.323991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.323991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.323991 (E_RNA)
where:
Base-Base interactions energy: -133.287
where: short stacking energy: -62.847
Base-Backbone interact. energy: -1.682
local terms energy: -79.355211
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -16.458
flat angles C4'-P-C4' energy: -16.435
flat angles P-C4'-P energy: -12.687
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: 2, replica: 6
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -208.374292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.374292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.374292 (E_RNA)
where:
Base-Base interactions energy: -133.582
where: short stacking energy: -63.741
Base-Backbone interact. energy: -0.058
local terms energy: -74.735024
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -14.522
flat angles P-C4'-P energy: -12.522
tors. eta vs tors. theta energy: -17.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -209.479827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.479827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.479827 (E_RNA)
where:
Base-Base interactions energy: -129.403
where: short stacking energy: -65.161
Base-Backbone interact. energy: -0.033
local terms energy: -80.044119
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -11.852
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -12.513
tors. eta vs tors. theta energy: -23.288
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: 4
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -193.443080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.443080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.443080 (E_RNA)
where:
Base-Base interactions energy: -123.481
where: short stacking energy: -60.256
Base-Backbone interact. energy: -0.930
local terms energy: -69.031490
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -7.080
tors. eta vs tors. theta energy: -13.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -176.841456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.841456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.841456 (E_RNA)
where:
Base-Base interactions energy: -110.884
where: short stacking energy: -52.261
Base-Backbone interact. energy: -0.526
local terms energy: -65.431040
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -11.906
flat angles C4'-P-C4' energy: -11.133
flat angles P-C4'-P energy: -12.071
tors. eta vs tors. theta energy: -16.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -165.648102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.648102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.648102 (E_RNA)
where:
Base-Base interactions energy: -108.136
where: short stacking energy: -48.473
Base-Backbone interact. energy: -0.057
local terms energy: -57.455158
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -12.409
flat angles C4'-P-C4' energy: -14.950
flat angles P-C4'-P energy: -10.323
tors. eta vs tors. theta energy: -5.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -95.129201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.129201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.129201 (E_RNA)
where:
Base-Base interactions energy: -39.776
where: short stacking energy: -39.776
Base-Backbone interact. energy: 0.639
local terms energy: -55.992891
where:
bonds (distance) C4'-P energy: -16.629
bonds (distance) P-C4' energy: -11.323
flat angles C4'-P-C4' energy: -12.244
flat angles P-C4'-P energy: -7.543
tors. eta vs tors. theta energy: -8.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -78.136051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.136051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.136051 (E_RNA)
where:
Base-Base interactions energy: -30.017
where: short stacking energy: -18.152
Base-Backbone interact. energy: -0.234
local terms energy: -47.885108
where:
bonds (distance) C4'-P energy: -16.472
bonds (distance) P-C4' energy: -11.665
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -6.012
tors. eta vs tors. theta energy: -0.748
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: 9, replica: 5
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -83.413413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.413413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.413413 (E_RNA)
where:
Base-Base interactions energy: -34.193
where: short stacking energy: -30.346
Base-Backbone interact. energy: -0.626
local terms energy: -48.594197
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -12.228
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: 0.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -69.823795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.823795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.823795 (E_RNA)
where:
Base-Base interactions energy: -29.660
where: short stacking energy: -26.499
Base-Backbone interact. energy: -0.599
local terms energy: -39.564707
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -9.613
flat angles C4'-P-C4' energy: -14.191
flat angles P-C4'-P energy: -4.173
tors. eta vs tors. theta energy: 2.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -221.784864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.784864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.784864 (E_RNA)
where:
Base-Base interactions energy: -141.140
where: short stacking energy: -73.980
Base-Backbone interact. energy: -0.049
local terms energy: -80.595190
where:
bonds (distance) C4'-P energy: -10.869
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -17.958
flat angles P-C4'-P energy: -13.516
tors. eta vs tors. theta energy: -21.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -222.651376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.651376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.651376 (E_RNA)
where:
Base-Base interactions energy: -148.862
where: short stacking energy: -69.863
Base-Backbone interact. energy: 1.213
local terms energy: -75.001966
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -14.136
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: -21.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -196.240686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.240686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.240686 (E_RNA)
where:
Base-Base interactions energy: -130.082
where: short stacking energy: -55.175
Base-Backbone interact. energy: -0.767
local terms energy: -65.390874
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -12.610
flat angles C4'-P-C4' energy: -16.531
flat angles P-C4'-P energy: -8.510
tors. eta vs tors. theta energy: -12.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -184.999308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.999308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.999308 (E_RNA)
where:
Base-Base interactions energy: -115.584
where: short stacking energy: -62.404
Base-Backbone interact. energy: -0.726
local terms energy: -68.688654
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -14.337
flat angles P-C4'-P energy: -8.257
tors. eta vs tors. theta energy: -18.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -176.265230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.265230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.265230 (E_RNA)
where:
Base-Base interactions energy: -110.985
where: short stacking energy: -56.049
Base-Backbone interact. energy: 0.608
local terms energy: -65.888200
where:
bonds (distance) C4'-P energy: -15.874
bonds (distance) P-C4' energy: -14.689
flat angles C4'-P-C4' energy: -11.472
flat angles P-C4'-P energy: -8.166
tors. eta vs tors. theta energy: -15.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -98.228838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.228838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.228838 (E_RNA)
where:
Base-Base interactions energy: -50.032
where: short stacking energy: -28.569
Base-Backbone interact. energy: -0.079
local terms energy: -48.118321
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -12.576
flat angles P-C4'-P energy: -2.780
tors. eta vs tors. theta energy: -2.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -173.032309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.032309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.032309 (E_RNA)
where:
Base-Base interactions energy: -113.812
where: short stacking energy: -51.631
Base-Backbone interact. energy: -0.101
local terms energy: -59.118636
where:
bonds (distance) C4'-P energy: -10.050
bonds (distance) P-C4' energy: -14.487
flat angles C4'-P-C4' energy: -11.008
flat angles P-C4'-P energy: -11.902
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: 5
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -91.587447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.587447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.587447 (E_RNA)
where:
Base-Base interactions energy: -34.344
where: short stacking energy: -34.344
Base-Backbone interact. energy: -0.144
local terms energy: -57.099370
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -11.809
flat angles P-C4'-P energy: -10.027
tors. eta vs tors. theta energy: -8.534
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: 8
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -82.532943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.532943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.532943 (E_RNA)
where:
Base-Base interactions energy: -31.069
where: short stacking energy: -23.570
Base-Backbone interact. energy: -0.412
local terms energy: -51.051875
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -13.574
flat angles P-C4'-P energy: -9.477
tors. eta vs tors. theta energy: 0.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -75.735536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.735536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.735536 (E_RNA)
where:
Base-Base interactions energy: -30.466
where: short stacking energy: -27.388
Base-Backbone interact. energy: -0.223
local terms energy: -45.046548
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -12.449
flat angles C4'-P-C4' energy: -9.755
flat angles P-C4'-P energy: -4.265
tors. eta vs tors. theta energy: -4.528
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: 1, replica: 10
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -232.307965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.307965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.307965 (E_RNA)
where:
Base-Base interactions energy: -153.639
where: short stacking energy: -72.368
Base-Backbone interact. energy: -0.002
local terms energy: -78.666847
where:
bonds (distance) C4'-P energy: -15.358
bonds (distance) P-C4' energy: -15.481
flat angles C4'-P-C4' energy: -15.383
flat angles P-C4'-P energy: -13.737
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: 2, replica: 2
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -215.727803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.727803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.727803 (E_RNA)
where:
Base-Base interactions energy: -136.183
where: short stacking energy: -68.176
Base-Backbone interact. energy: -0.039
local terms energy: -79.506693
where:
bonds (distance) C4'-P energy: -12.401
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -16.184
flat angles P-C4'-P energy: -11.378
tors. eta vs tors. theta energy: -22.288
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: 1
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -197.489496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.489496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.489496 (E_RNA)
where:
Base-Base interactions energy: -124.617
where: short stacking energy: -56.310
Base-Backbone interact. energy: -0.753
local terms energy: -72.119057
where:
bonds (distance) C4'-P energy: -13.818
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -17.172
flat angles P-C4'-P energy: -8.265
tors. eta vs tors. theta energy: -16.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -188.780350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.780350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.780350 (E_RNA)
where:
Base-Base interactions energy: -132.279
where: short stacking energy: -51.080
Base-Backbone interact. energy: -0.226
local terms energy: -56.275483
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -17.150
flat angles P-C4'-P energy: -5.225
tors. eta vs tors. theta energy: -5.944
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: 5, replica: 4
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -194.065449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.065449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.065449 (E_RNA)
where:
Base-Base interactions energy: -130.216
where: short stacking energy: -61.580
Base-Backbone interact. energy: -0.101
local terms energy: -63.748406
where:
bonds (distance) C4'-P energy: -10.232
bonds (distance) P-C4' energy: -13.013
flat angles C4'-P-C4' energy: -15.703
flat angles P-C4'-P energy: -7.325
tors. eta vs tors. theta energy: -17.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -101.540183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.540183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.540183 (E_RNA)
where:
Base-Base interactions energy: -42.587
where: short stacking energy: -42.587
Base-Backbone interact. energy: 0.521
local terms energy: -59.474715
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -12.702
flat angles P-C4'-P energy: -7.924
tors. eta vs tors. theta energy: -7.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -103.207841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.207841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.207841 (E_RNA)
where:
Base-Base interactions energy: -49.619
where: short stacking energy: -32.703
Base-Backbone interact. energy: -0.011
local terms energy: -53.578398
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -3.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -144.123274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.123274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.123274 (E_RNA)
where:
Base-Base interactions energy: -95.481
where: short stacking energy: -41.562
Base-Backbone interact. energy: -0.548
local terms energy: -48.094865
where:
bonds (distance) C4'-P energy: -7.691
bonds (distance) P-C4' energy: -10.370
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -11.218
tors. eta vs tors. theta energy: -5.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -86.670230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.670230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.670230 (E_RNA)
where:
Base-Base interactions energy: -38.504
where: short stacking energy: -27.716
Base-Backbone interact. energy: -0.135
local terms energy: -48.031062
where:
bonds (distance) C4'-P energy: -9.364
bonds (distance) P-C4' energy: -16.242
flat angles C4'-P-C4' energy: -7.878
flat angles P-C4'-P energy: -8.436
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: 10, replica: 8
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -79.889043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.889043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.889043 (E_RNA)
where:
Base-Base interactions energy: -36.732
where: short stacking energy: -23.026
Base-Backbone interact. energy: -0.503
local terms energy: -42.653784
where:
bonds (distance) C4'-P energy: -10.050
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -5.876
flat angles P-C4'-P energy: -8.966
tors. eta vs tors. theta energy: -2.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -217.335773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.335773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.335773 (E_RNA)
where:
Base-Base interactions energy: -139.331
where: short stacking energy: -69.008
Base-Backbone interact. energy: -0.373
local terms energy: -77.631903
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -16.912
flat angles P-C4'-P energy: -11.537
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: 2, replica: 2
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -222.155584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.155584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.155584 (E_RNA)
where:
Base-Base interactions energy: -143.440
where: short stacking energy: -73.573
Base-Backbone interact. energy: -0.069
local terms energy: -78.645815
where:
bonds (distance) C4'-P energy: -14.038
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -17.546
flat angles P-C4'-P energy: -12.568
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: 3, replica: 1
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -205.771084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.771084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.771084 (E_RNA)
where:
Base-Base interactions energy: -140.890
where: short stacking energy: -55.832
Base-Backbone interact. energy: -0.289
local terms energy: -64.591600
where:
bonds (distance) C4'-P energy: -11.607
bonds (distance) P-C4' energy: -14.052
flat angles C4'-P-C4' energy: -15.709
flat angles P-C4'-P energy: -7.707
tors. eta vs tors. theta energy: -15.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -195.185135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.185135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.185135 (E_RNA)
where:
Base-Base interactions energy: -120.706
where: short stacking energy: -56.245
Base-Backbone interact. energy: -0.608
local terms energy: -73.871124
where:
bonds (distance) C4'-P energy: -15.509
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -14.513
flat angles P-C4'-P energy: -6.643
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: 6
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -194.885713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.885713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.885713 (E_RNA)
where:
Base-Base interactions energy: -117.049
where: short stacking energy: -64.440
Base-Backbone interact. energy: -0.151
local terms energy: -77.685597
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -16.210
flat angles C4'-P-C4' energy: -16.090
flat angles P-C4'-P energy: -10.598
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: 6, replica: 5
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -95.465846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.465846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.465846 (E_RNA)
where:
Base-Base interactions energy: -44.124
where: short stacking energy: -24.823
Base-Backbone interact. energy: -0.140
local terms energy: -51.202089
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -14.661
flat angles C4'-P-C4' energy: -12.117
flat angles P-C4'-P energy: -6.555
tors. eta vs tors. theta energy: -3.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -86.851754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.851754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.851754 (E_RNA)
where:
Base-Base interactions energy: -29.713
where: short stacking energy: -25.401
Base-Backbone interact. energy: -0.219
local terms energy: -56.919976
where:
bonds (distance) C4'-P energy: -11.398
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -15.252
flat angles P-C4'-P energy: -10.953
tors. eta vs tors. theta energy: -3.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -121.514927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.514927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.514927 (E_RNA)
where:
Base-Base interactions energy: -69.396
where: short stacking energy: -33.428
Base-Backbone interact. energy: -0.228
local terms energy: -51.891043
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -12.682
flat angles C4'-P-C4' energy: -12.505
flat angles P-C4'-P energy: -8.444
tors. eta vs tors. theta energy: -4.700
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: 3
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -78.885781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.885781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.885781 (E_RNA)
where:
Base-Base interactions energy: -28.972
where: short stacking energy: -28.836
Base-Backbone interact. energy: -0.053
local terms energy: -49.861041
where:
bonds (distance) C4'-P energy: -11.511
bonds (distance) P-C4' energy: -9.636
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -12.229
tors. eta vs tors. theta energy: -2.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -77.208995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.208995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.208995 (E_RNA)
where:
Base-Base interactions energy: -30.465
where: short stacking energy: -28.313
Base-Backbone interact. energy: -0.153
local terms energy: -46.591495
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -8.494
flat angles P-C4'-P energy: -5.561
tors. eta vs tors. theta energy: -3.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -219.811392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.811392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.811392 (E_RNA)
where:
Base-Base interactions energy: -142.479
where: short stacking energy: -71.679
Base-Backbone interact. energy: 0.929
local terms energy: -78.261021
where:
bonds (distance) C4'-P energy: -10.867
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -14.415
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: 2, replica: 2
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -213.161538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.161538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.161538 (E_RNA)
where:
Base-Base interactions energy: -137.496
where: short stacking energy: -66.923
Base-Backbone interact. energy: -0.887
local terms energy: -74.778740
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -16.442
flat angles P-C4'-P energy: -10.781
tors. eta vs tors. theta energy: -19.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -206.787764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.787764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.787764 (E_RNA)
where:
Base-Base interactions energy: -132.315
where: short stacking energy: -53.202
Base-Backbone interact. energy: -0.493
local terms energy: -73.979060
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -17.763
flat angles P-C4'-P energy: -7.838
tors. eta vs tors. theta energy: -15.493
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: 1
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -198.800004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.800004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.800004 (E_RNA)
where:
Base-Base interactions energy: -127.105
where: short stacking energy: -61.749
Base-Backbone interact. energy: -0.104
local terms energy: -71.591726
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -13.376
flat angles C4'-P-C4' energy: -16.156
flat angles P-C4'-P energy: -6.523
tors. eta vs tors. theta energy: -19.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -192.331217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.331217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.331217 (E_RNA)
where:
Base-Base interactions energy: -120.902
where: short stacking energy: -63.757
Base-Backbone interact. energy: -0.097
local terms energy: -71.331744
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -12.889
flat angles C4'-P-C4' energy: -14.065
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -20.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -87.269844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.269844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.269844 (E_RNA)
where:
Base-Base interactions energy: -41.518
where: short stacking energy: -21.092
Base-Backbone interact. energy: -0.122
local terms energy: -45.629750
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -12.388
flat angles P-C4'-P energy: -2.102
tors. eta vs tors. theta energy: -1.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -151.153727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.153727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.153727 (E_RNA)
where:
Base-Base interactions energy: -88.309
where: short stacking energy: -41.789
Base-Backbone interact. energy: -0.154
local terms energy: -62.690745
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -13.791
flat angles C4'-P-C4' energy: -15.371
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: -9.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -78.083109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.083109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.083109 (E_RNA)
where:
Base-Base interactions energy: -40.379
where: short stacking energy: -30.946
Base-Backbone interact. energy: -0.012
local terms energy: -37.692774
where:
bonds (distance) C4'-P energy: -8.403
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -10.562
flat angles P-C4'-P energy: 0.040
tors. eta vs tors. theta energy: -1.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -77.717259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.717259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.717259 (E_RNA)
where:
Base-Base interactions energy: -44.106
where: short stacking energy: -23.566
Base-Backbone interact. energy: -0.120
local terms energy: -33.490939
where:
bonds (distance) C4'-P energy: -10.452
bonds (distance) P-C4' energy: -10.185
flat angles C4'-P-C4' energy: -9.339
flat angles P-C4'-P energy: -7.676
tors. eta vs tors. theta energy: 4.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -84.830223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.830223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.830223 (E_RNA)
where:
Base-Base interactions energy: -31.074
where: short stacking energy: -26.269
Base-Backbone interact. energy: -1.179
local terms energy: -52.577422
where:
bonds (distance) C4'-P energy: -17.000
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -10.239
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -2.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -222.921612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.921612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.921612 (E_RNA)
where:
Base-Base interactions energy: -143.589
where: short stacking energy: -74.194
Base-Backbone interact. energy: 0.303
local terms energy: -79.636255
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -12.261
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: 2, replica: 2
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -211.878454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.878454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.878454 (E_RNA)
where:
Base-Base interactions energy: -132.275
where: short stacking energy: -64.594
Base-Backbone interact. energy: -0.056
local terms energy: -79.547281
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -16.869
flat angles P-C4'-P energy: -11.460
tors. eta vs tors. theta energy: -17.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -191.472569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.472569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.472569 (E_RNA)
where:
Base-Base interactions energy: -119.066
where: short stacking energy: -57.730
Base-Backbone interact. energy: -0.086
local terms energy: -72.320969
where:
bonds (distance) C4'-P energy: -15.457
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -13.735
flat angles P-C4'-P energy: -11.951
tors. eta vs tors. theta energy: -17.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -201.612599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.612599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.612599 (E_RNA)
where:
Base-Base interactions energy: -137.595
where: short stacking energy: -68.277
Base-Backbone interact. energy: -0.767
local terms energy: -63.250316
where:
bonds (distance) C4'-P energy: -11.444
bonds (distance) P-C4' energy: -11.331
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -11.317
tors. eta vs tors. theta energy: -14.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -201.556447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.556447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.556447 (E_RNA)
where:
Base-Base interactions energy: -126.834
where: short stacking energy: -60.756
Base-Backbone interact. energy: -0.128
local terms energy: -74.594994
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -16.694
flat angles C4'-P-C4' energy: -15.619
flat angles P-C4'-P energy: -12.904
tors. eta vs tors. theta energy: -17.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -175.348530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.348530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.348530 (E_RNA)
where:
Base-Base interactions energy: -106.979
where: short stacking energy: -52.218
Base-Backbone interact. energy: -0.442
local terms energy: -67.927194
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -15.175
flat angles P-C4'-P energy: -6.780
tors. eta vs tors. theta energy: -14.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -88.899614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.899614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.899614 (E_RNA)
where:
Base-Base interactions energy: -31.337
where: short stacking energy: -31.337
Base-Backbone interact. energy: -0.192
local terms energy: -57.370813
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -13.417
flat angles P-C4'-P energy: -7.522
tors. eta vs tors. theta energy: -3.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -86.856691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.856691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.856691 (E_RNA)
where:
Base-Base interactions energy: -40.482
where: short stacking energy: -17.802
Base-Backbone interact. energy: -0.205
local terms energy: -46.169574
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -13.348
flat angles C4'-P-C4' energy: -13.351
flat angles P-C4'-P energy: -6.033
tors. eta vs tors. theta energy: -0.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -77.429187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.429187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.429187 (E_RNA)
where:
Base-Base interactions energy: -34.656
where: short stacking energy: -31.671
Base-Backbone interact. energy: -0.381
local terms energy: -42.391420
where:
bonds (distance) C4'-P energy: -9.338
bonds (distance) P-C4' energy: -7.202
flat angles C4'-P-C4' energy: -9.358
flat angles P-C4'-P energy: -9.626
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: 10, replica: 3
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -74.390235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.390235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.390235 (E_RNA)
where:
Base-Base interactions energy: -27.310
where: short stacking energy: -27.310
Base-Backbone interact. energy: -0.046
local terms energy: -47.033613
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -11.942
flat angles P-C4'-P energy: -5.951
tors. eta vs tors. theta energy: -1.800
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: 10
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -222.738652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.738652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.738652 (E_RNA)
where:
Base-Base interactions energy: -143.399
where: short stacking energy: -68.832
Base-Backbone interact. energy: -0.481
local terms energy: -78.859230
where:
bonds (distance) C4'-P energy: -16.919
bonds (distance) P-C4' energy: -16.316
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -13.336
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: 2, replica: 2
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -199.490865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.490865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.490865 (E_RNA)
where:
Base-Base interactions energy: -136.613
where: short stacking energy: -62.942
Base-Backbone interact. energy: -0.673
local terms energy: -62.204601
where:
bonds (distance) C4'-P energy: -9.739
bonds (distance) P-C4' energy: -16.043
flat angles C4'-P-C4' energy: -13.563
flat angles P-C4'-P energy: -7.578
tors. eta vs tors. theta energy: -15.282
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: 3, replica: 6
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -212.401879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.401879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.401879 (E_RNA)
where:
Base-Base interactions energy: -134.341
where: short stacking energy: -72.771
Base-Backbone interact. energy: -0.026
local terms energy: -78.034858
where:
bonds (distance) C4'-P energy: -12.781
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -17.215
flat angles P-C4'-P energy: -13.421
tors. eta vs tors. theta energy: -22.636
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: 4
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -190.654540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.654540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.654540 (E_RNA)
where:
Base-Base interactions energy: -119.235
where: short stacking energy: -55.370
Base-Backbone interact. energy: -0.004
local terms energy: -71.415015
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -12.966
flat angles C4'-P-C4' energy: -17.748
flat angles P-C4'-P energy: -11.511
tors. eta vs tors. theta energy: -14.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -202.067855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.067855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.067855 (E_RNA)
where:
Base-Base interactions energy: -135.850
where: short stacking energy: -66.167
Base-Backbone interact. energy: -0.003
local terms energy: -66.214328
where:
bonds (distance) C4'-P energy: -12.198
bonds (distance) P-C4' energy: -12.066
flat angles C4'-P-C4' energy: -16.554
flat angles P-C4'-P energy: -8.422
tors. eta vs tors. theta energy: -16.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -127.221291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.221291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.221291 (E_RNA)
where:
Base-Base interactions energy: -68.157
where: short stacking energy: -38.508
Base-Backbone interact. energy: -0.027
local terms energy: -59.036805
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: -8.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -89.363778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.363778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.363778 (E_RNA)
where:
Base-Base interactions energy: -29.923
where: short stacking energy: -11.240
Base-Backbone interact. energy: -0.375
local terms energy: -59.066126
where:
bonds (distance) C4'-P energy: -18.271
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -11.794
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -0.485
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: 5
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -91.556471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.556471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.556471 (E_RNA)
where:
Base-Base interactions energy: -34.556
where: short stacking energy: -34.556
Base-Backbone interact. energy: -1.979
local terms energy: -55.020937
where:
bonds (distance) C4'-P energy: -11.959
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -7.660
flat angles P-C4'-P energy: -9.501
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: 9, replica: 7
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -81.095170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.095170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.095170 (E_RNA)
where:
Base-Base interactions energy: -28.654
where: short stacking energy: -26.104
Base-Backbone interact. energy: -0.139
local terms energy: -52.302414
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -12.300
flat angles P-C4'-P energy: -7.948
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: 10, replica: 3
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -73.156383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.156383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.156383 (E_RNA)
where:
Base-Base interactions energy: -20.065
where: short stacking energy: -20.065
Base-Backbone interact. energy: 0.070
local terms energy: -53.161147
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -13.767
tors. eta vs tors. theta energy: 1.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -209.826219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.826219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.826219 (E_RNA)
where:
Base-Base interactions energy: -138.345
where: short stacking energy: -67.360
Base-Backbone interact. energy: -0.019
local terms energy: -71.462056
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -12.747
flat angles P-C4'-P energy: -11.058
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: 2, replica: 6
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -217.231510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.231510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.231510 (E_RNA)
where:
Base-Base interactions energy: -136.533
where: short stacking energy: -71.480
Base-Backbone interact. energy: -0.352
local terms energy: -80.346368
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -13.565
flat angles P-C4'-P energy: -10.905
tors. eta vs tors. theta energy: -23.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -213.254022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.254022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.254022 (E_RNA)
where:
Base-Base interactions energy: -133.903
where: short stacking energy: -69.345
Base-Backbone interact. energy: -0.522
local terms energy: -78.828847
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -13.399
flat angles P-C4'-P energy: -12.141
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: 4, replica: 1
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -177.547442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.547442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.547442 (E_RNA)
where:
Base-Base interactions energy: -110.498
where: short stacking energy: -52.989
Base-Backbone interact. energy: -0.130
local terms energy: -66.919985
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -12.326
flat angles P-C4'-P energy: -12.082
tors. eta vs tors. theta energy: -13.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -183.021063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.021063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.021063 (E_RNA)
where:
Base-Base interactions energy: -116.886
where: short stacking energy: -57.516
Base-Backbone interact. energy: -0.092
local terms energy: -66.043468
where:
bonds (distance) C4'-P energy: -13.922
bonds (distance) P-C4' energy: -16.686
flat angles C4'-P-C4' energy: -12.354
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -13.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -144.667998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.667998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.667998 (E_RNA)
where:
Base-Base interactions energy: -85.674
where: short stacking energy: -53.033
Base-Backbone interact. energy: -0.129
local terms energy: -58.865846
where:
bonds (distance) C4'-P energy: -8.606
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -14.093
flat angles P-C4'-P energy: -7.154
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: 7, replica: 9
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -123.708131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.708131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.708131 (E_RNA)
where:
Base-Base interactions energy: -73.571
where: short stacking energy: -40.978
Base-Backbone interact. energy: 0.516
local terms energy: -50.652697
where:
bonds (distance) C4'-P energy: -9.229
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -9.362
flat angles P-C4'-P energy: -7.890
tors. eta vs tors. theta energy: -9.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -82.067707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.067707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.067707 (E_RNA)
where:
Base-Base interactions energy: -29.927
where: short stacking energy: -26.067
Base-Backbone interact. energy: -0.084
local terms energy: -52.056933
where:
bonds (distance) C4'-P energy: -11.869
bonds (distance) P-C4' energy: -15.616
flat angles C4'-P-C4' energy: -11.485
flat angles P-C4'-P energy: -8.567
tors. eta vs tors. theta energy: -4.519
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: 5
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -87.828632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.828632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.828632 (E_RNA)
where:
Base-Base interactions energy: -31.143
where: short stacking energy: -28.174
Base-Backbone interact. energy: -0.069
local terms energy: -56.616648
where:
bonds (distance) C4'-P energy: -8.919
bonds (distance) P-C4' energy: -16.718
flat angles C4'-P-C4' energy: -13.920
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -4.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -81.709931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.709931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.709931 (E_RNA)
where:
Base-Base interactions energy: -27.205
where: short stacking energy: -24.428
Base-Backbone interact. energy: -0.086
local terms energy: -54.418555
where:
bonds (distance) C4'-P energy: -9.846
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -10.496
flat angles P-C4'-P energy: -11.385
tors. eta vs tors. theta energy: -5.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -218.230643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.230643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.230643 (E_RNA)
where:
Base-Base interactions energy: -138.753
where: short stacking energy: -75.673
Base-Backbone interact. energy: -0.053
local terms energy: -79.424768
where:
bonds (distance) C4'-P energy: -14.465
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -16.692
flat angles P-C4'-P energy: -12.017
tors. eta vs tors. theta energy: -20.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -213.649098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.649098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.649098 (E_RNA)
where:
Base-Base interactions energy: -136.844
where: short stacking energy: -75.694
Base-Backbone interact. energy: -0.051
local terms energy: -76.754031
where:
bonds (distance) C4'-P energy: -9.856
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -18.018
flat angles P-C4'-P energy: -10.457
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: 3, replica: 2
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -209.467571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.467571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.467571 (E_RNA)
where:
Base-Base interactions energy: -130.760
where: short stacking energy: -69.128
Base-Backbone interact. energy: -0.006
local terms energy: -78.701128
where:
bonds (distance) C4'-P energy: -10.118
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -17.712
flat angles P-C4'-P energy: -13.458
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: 4, replica: 1
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -179.722858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.722858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.722858 (E_RNA)
where:
Base-Base interactions energy: -100.656
where: short stacking energy: -54.035
Base-Backbone interact. energy: -0.880
local terms energy: -78.186709
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -16.380
flat angles P-C4'-P energy: -13.168
tors. eta vs tors. theta energy: -18.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -172.704497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.704497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.704497 (E_RNA)
where:
Base-Base interactions energy: -105.434
where: short stacking energy: -48.674
Base-Backbone interact. energy: -0.067
local terms energy: -67.203065
where:
bonds (distance) C4'-P energy: -16.772
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -12.507
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -8.967
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: 8
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -132.861793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.861793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.861793 (E_RNA)
where:
Base-Base interactions energy: -72.775
where: short stacking energy: -38.370
Base-Backbone interact. energy: -0.065
local terms energy: -60.022681
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -13.208
flat angles C4'-P-C4' energy: -14.089
flat angles P-C4'-P energy: -8.869
tors. eta vs tors. theta energy: -8.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -96.183518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.183518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.183518 (E_RNA)
where:
Base-Base interactions energy: -44.760
where: short stacking energy: -44.760
Base-Backbone interact. energy: -0.070
local terms energy: -51.353422
where:
bonds (distance) C4'-P energy: -12.013
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -10.383
flat angles P-C4'-P energy: -5.404
tors. eta vs tors. theta energy: -7.338
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: 9
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -118.994296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.994296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.994296 (E_RNA)
where:
Base-Base interactions energy: -67.871
where: short stacking energy: -27.585
Base-Backbone interact. energy: -0.017
local terms energy: -51.107028
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -9.513
flat angles C4'-P-C4' energy: -10.909
flat angles P-C4'-P energy: -10.645
tors. eta vs tors. theta energy: -4.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -88.314106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.314106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.314106 (E_RNA)
where:
Base-Base interactions energy: -33.917
where: short stacking energy: -32.633
Base-Backbone interact. energy: -0.130
local terms energy: -54.267519
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -5.858
tors. eta vs tors. theta energy: -5.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -85.428225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.428225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.428225 (E_RNA)
where:
Base-Base interactions energy: -38.747
where: short stacking energy: -27.611
Base-Backbone interact. energy: -0.026
local terms energy: -46.655470
where:
bonds (distance) C4'-P energy: -10.897
bonds (distance) P-C4' energy: -14.544
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -4.484
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: 1, replica: 10
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -220.698283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.698283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.698283 (E_RNA)
where:
Base-Base interactions energy: -138.687
where: short stacking energy: -71.772
Base-Backbone interact. energy: -0.004
local terms energy: -82.006598
where:
bonds (distance) C4'-P energy: -11.020
bonds (distance) P-C4' energy: -16.064
flat angles C4'-P-C4' energy: -16.983
flat angles P-C4'-P energy: -14.515
tors. eta vs tors. theta energy: -23.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -216.267441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.267441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.267441 (E_RNA)
where:
Base-Base interactions energy: -138.591
where: short stacking energy: -69.642
Base-Backbone interact. energy: -0.018
local terms energy: -77.658855
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -16.888
flat angles P-C4'-P energy: -11.374
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: 3, replica: 6
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -216.613147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.613147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.613147 (E_RNA)
where:
Base-Base interactions energy: -143.112
where: short stacking energy: -73.280
Base-Backbone interact. energy: -0.047
local terms energy: -73.454234
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -13.640
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -11.198
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: 4, replica: 4
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -183.706118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.706118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.706118 (E_RNA)
where:
Base-Base interactions energy: -121.517
where: short stacking energy: -56.588
Base-Backbone interact. energy: -0.057
local terms energy: -62.132833
where:
bonds (distance) C4'-P energy: -9.487
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -11.264
flat angles P-C4'-P energy: -10.183
tors. eta vs tors. theta energy: -14.223
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: 1
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -151.552663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.552663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.552663 (E_RNA)
where:
Base-Base interactions energy: -84.036
where: short stacking energy: -46.552
Base-Backbone interact. energy: -0.043
local terms energy: -67.474421
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -13.234
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: -13.702
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: 8
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -151.612318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.612318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.612318 (E_RNA)
where:
Base-Base interactions energy: -86.791
where: short stacking energy: -33.745
Base-Backbone interact. energy: -0.132
local terms energy: -64.689148
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -16.889
flat angles C4'-P-C4' energy: -13.026
flat angles P-C4'-P energy: -12.451
tors. eta vs tors. theta energy: -9.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -91.685917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.685917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.685917 (E_RNA)
where:
Base-Base interactions energy: -43.549
where: short stacking energy: -35.621
Base-Backbone interact. energy: 1.401
local terms energy: -49.537254
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -11.861
flat angles C4'-P-C4' energy: -6.646
flat angles P-C4'-P energy: -7.962
tors. eta vs tors. theta energy: -8.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -77.544181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.544181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.544181 (E_RNA)
where:
Base-Base interactions energy: -22.616
where: short stacking energy: -22.616
Base-Backbone interact. energy: -0.098
local terms energy: -54.829988
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -13.221
flat angles C4'-P-C4' energy: -15.989
flat angles P-C4'-P energy: -8.232
tors. eta vs tors. theta energy: -4.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -77.659311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.659311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.659311 (E_RNA)
where:
Base-Base interactions energy: -20.109
where: short stacking energy: -20.109
Base-Backbone interact. energy: -0.142
local terms energy: -57.408155
where:
bonds (distance) C4'-P energy: -15.852
bonds (distance) P-C4' energy: -13.130
flat angles C4'-P-C4' energy: -14.730
flat angles P-C4'-P energy: -10.675
tors. eta vs tors. theta energy: -3.021
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: 5
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -79.043067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.043067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.043067 (E_RNA)
where:
Base-Base interactions energy: -28.964
where: short stacking energy: -24.763
Base-Backbone interact. energy: -0.114
local terms energy: -49.964538
where:
bonds (distance) C4'-P energy: -11.524
bonds (distance) P-C4' energy: -9.550
flat angles C4'-P-C4' energy: -14.608
flat angles P-C4'-P energy: -12.304
tors. eta vs tors. theta energy: -1.977
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: 2
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -217.413535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.413535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.413535 (E_RNA)
where:
Base-Base interactions energy: -138.609
where: short stacking energy: -72.952
Base-Backbone interact. energy: -0.083
local terms energy: -78.721767
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -17.767
flat angles P-C4'-P energy: -11.679
tors. eta vs tors. theta energy: -19.280
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: 148
Temperature: 0.950000
Total energy: -214.286960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.286960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.286960 (E_RNA)
where:
Base-Base interactions energy: -139.875
where: short stacking energy: -69.270
Base-Backbone interact. energy: -0.083
local terms energy: -74.328749
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -15.434
flat angles P-C4'-P energy: -11.204
tors. eta vs tors. theta energy: -16.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -207.497476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.497476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.497476 (E_RNA)
where:
Base-Base interactions energy: -134.097
where: short stacking energy: -58.230
Base-Backbone interact. energy: -0.243
local terms energy: -73.157150
where:
bonds (distance) C4'-P energy: -16.856
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -15.211
flat angles P-C4'-P energy: -8.046
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: 4, replica: 4
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -208.105793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.105793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.105793 (E_RNA)
where:
Base-Base interactions energy: -136.433
where: short stacking energy: -59.487
Base-Backbone interact. energy: -0.123
local terms energy: -71.550321
where:
bonds (distance) C4'-P energy: -10.456
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -16.704
flat angles P-C4'-P energy: -10.767
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: 5, replica: 8
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -152.330398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.330398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.330398 (E_RNA)
where:
Base-Base interactions energy: -91.116
where: short stacking energy: -41.255
Base-Backbone interact. energy: -0.551
local terms energy: -60.663491
where:
bonds (distance) C4'-P energy: -12.684
bonds (distance) P-C4' energy: -12.376
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: -11.430
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: 148
Temperature: 1.150000
Total energy: -145.241449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.241449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.241449 (E_RNA)
where:
Base-Base interactions energy: -87.033
where: short stacking energy: -46.731
Base-Backbone interact. energy: 0.096
local terms energy: -58.304534
where:
bonds (distance) C4'-P energy: -11.032
bonds (distance) P-C4' energy: -9.776
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -10.711
tors. eta vs tors. theta energy: -11.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -91.788134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.788134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.788134 (E_RNA)
where:
Base-Base interactions energy: -32.956
where: short stacking energy: -32.956
Base-Backbone interact. energy: -0.078
local terms energy: -58.754649
where:
bonds (distance) C4'-P energy: -11.990
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -12.751
flat angles P-C4'-P energy: -9.394
tors. eta vs tors. theta energy: -9.352
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: 8, replica: 3
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -91.907989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.907989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.907989 (E_RNA)
where:
Base-Base interactions energy: -37.928
where: short stacking energy: -36.382
Base-Backbone interact. energy: -0.767
local terms energy: -53.213665
where:
bonds (distance) C4'-P energy: -10.546
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -6.043
tors. eta vs tors. theta energy: -8.031
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: 9, replica: 5
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -94.118922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.118922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.118922 (E_RNA)
where:
Base-Base interactions energy: -32.413
where: short stacking energy: -30.910
Base-Backbone interact. energy: -0.152
local terms energy: -61.553189
where:
bonds (distance) C4'-P energy: -13.890
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: -6.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -79.428717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.428717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.428717 (E_RNA)
where:
Base-Base interactions energy: -30.458
where: short stacking energy: -26.444
Base-Backbone interact. energy: 0.265
local terms energy: -49.235836
where:
bonds (distance) C4'-P energy: -10.471
bonds (distance) P-C4' energy: -15.133
flat angles C4'-P-C4' energy: -10.625
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: 1, replica: 2
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -223.753455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.753455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.753455 (E_RNA)
where:
Base-Base interactions energy: -144.488
where: short stacking energy: -70.776
Base-Backbone interact. energy: -0.200
local terms energy: -79.065897
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -17.226
flat angles P-C4'-P energy: -12.777
tors. eta vs tors. theta energy: -20.777
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: 2, replica: 6
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -207.734108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.734108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.734108 (E_RNA)
where:
Base-Base interactions energy: -132.622
where: short stacking energy: -59.325
Base-Backbone interact. energy: -0.087
local terms energy: -75.024919
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -11.397
tors. eta vs tors. theta energy: -17.164
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: 3, replica: 10
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -207.481885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.481885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.481885 (E_RNA)
where:
Base-Base interactions energy: -132.156
where: short stacking energy: -66.338
Base-Backbone interact. energy: -1.079
local terms energy: -74.247178
where:
bonds (distance) C4'-P energy: -11.603
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -17.398
flat angles P-C4'-P energy: -10.991
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: 4
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -197.152361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.152361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.152361 (E_RNA)
where:
Base-Base interactions energy: -131.760
where: short stacking energy: -65.933
Base-Backbone interact. energy: -0.254
local terms energy: -65.138486
where:
bonds (distance) C4'-P energy: -10.558
bonds (distance) P-C4' energy: -15.332
flat angles C4'-P-C4' energy: -14.886
flat angles P-C4'-P energy: -7.927
tors. eta vs tors. theta energy: -16.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -196.330774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.330774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.330774 (E_RNA)
where:
Base-Base interactions energy: -120.738
where: short stacking energy: -62.331
Base-Backbone interact. energy: -0.182
local terms energy: -75.411100
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -14.026
flat angles P-C4'-P energy: -12.668
tors. eta vs tors. theta energy: -19.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -149.010570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.010570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.010570 (E_RNA)
where:
Base-Base interactions energy: -90.226
where: short stacking energy: -50.534
Base-Backbone interact. energy: -0.418
local terms energy: -58.366018
where:
bonds (distance) C4'-P energy: -14.445
bonds (distance) P-C4' energy: -13.470
flat angles C4'-P-C4' energy: -10.306
flat angles P-C4'-P energy: -9.601
tors. eta vs tors. theta energy: -10.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -88.743731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.743731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.743731 (E_RNA)
where:
Base-Base interactions energy: -32.955
where: short stacking energy: -32.955
Base-Backbone interact. energy: -0.096
local terms energy: -55.692831
where:
bonds (distance) C4'-P energy: -10.767
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -12.139
flat angles P-C4'-P energy: -11.889
tors. eta vs tors. theta energy: -6.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -81.843992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.843992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.843992 (E_RNA)
where:
Base-Base interactions energy: -33.456
where: short stacking energy: -33.456
Base-Backbone interact. energy: -0.062
local terms energy: -48.325268
where:
bonds (distance) C4'-P energy: -11.197
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -11.940
flat angles P-C4'-P energy: -7.819
tors. eta vs tors. theta energy: -4.732
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: 9, replica: 3
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -84.147364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.147364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.147364 (E_RNA)
where:
Base-Base interactions energy: -38.991
where: short stacking energy: -30.262
Base-Backbone interact. energy: 1.572
local terms energy: -46.727744
where:
bonds (distance) C4'-P energy: -10.386
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -6.583
flat angles P-C4'-P energy: -12.315
tors. eta vs tors. theta energy: -1.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -77.535161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.535161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.535161 (E_RNA)
where:
Base-Base interactions energy: -30.999
where: short stacking energy: -30.935
Base-Backbone interact. energy: -0.057
local terms energy: -46.479050
where:
bonds (distance) C4'-P energy: -11.526
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -9.625
flat angles P-C4'-P energy: -4.945
tors. eta vs tors. theta energy: -5.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -211.895862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.895862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.895862 (E_RNA)
where:
Base-Base interactions energy: -137.151
where: short stacking energy: -70.798
Base-Backbone interact. energy: -0.609
local terms energy: -74.135690
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -11.931
flat angles P-C4'-P energy: -9.905
tors. eta vs tors. theta energy: -19.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -210.830533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.830533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.830533 (E_RNA)
where:
Base-Base interactions energy: -135.579
where: short stacking energy: -70.628
Base-Backbone interact. energy: -0.123
local terms energy: -75.129023
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -14.276
flat angles C4'-P-C4' energy: -14.872
flat angles P-C4'-P energy: -7.462
tors. eta vs tors. theta energy: -22.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -199.286091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.286091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.286091 (E_RNA)
where:
Base-Base interactions energy: -125.168
where: short stacking energy: -56.856
Base-Backbone interact. energy: -0.043
local terms energy: -74.074899
where:
bonds (distance) C4'-P energy: -16.991
bonds (distance) P-C4' energy: -13.843
flat angles C4'-P-C4' energy: -18.176
flat angles P-C4'-P energy: -8.340
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: 4, replica: 10
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -216.117457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.117457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.117457 (E_RNA)
where:
Base-Base interactions energy: -138.895
where: short stacking energy: -70.152
Base-Backbone interact. energy: -0.642
local terms energy: -76.580770
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -15.924
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -21.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -162.461917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.461917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.461917 (E_RNA)
where:
Base-Base interactions energy: -92.996
where: short stacking energy: -56.157
Base-Backbone interact. energy: -0.332
local terms energy: -69.134003
where:
bonds (distance) C4'-P energy: -12.096
bonds (distance) P-C4' energy: -13.000
flat angles C4'-P-C4' energy: -13.618
flat angles P-C4'-P energy: -14.152
tors. eta vs tors. theta energy: -16.268
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: 8
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -189.902270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.902270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.902270 (E_RNA)
where:
Base-Base interactions energy: -130.963
where: short stacking energy: -60.605
Base-Backbone interact. energy: -0.126
local terms energy: -58.813860
where:
bonds (distance) C4'-P energy: -7.887
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -12.589
flat angles P-C4'-P energy: -8.547
tors. eta vs tors. theta energy: -13.858
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: 5
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -92.511017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.511017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.511017 (E_RNA)
where:
Base-Base interactions energy: -39.361
where: short stacking energy: -38.018
Base-Backbone interact. energy: -0.199
local terms energy: -52.951195
where:
bonds (distance) C4'-P energy: -10.845
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -16.188
flat angles P-C4'-P energy: -5.197
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: 8, replica: 7
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -83.612260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.612260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.612260 (E_RNA)
where:
Base-Base interactions energy: -24.450
where: short stacking energy: -22.640
Base-Backbone interact. energy: 0.063
local terms energy: -59.225389
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -9.702
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -5.380
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: 9
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -77.476036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.476036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.476036 (E_RNA)
where:
Base-Base interactions energy: -28.499
where: short stacking energy: -27.516
Base-Backbone interact. energy: 1.711
local terms energy: -50.687683
where:
bonds (distance) C4'-P energy: -13.715
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -10.705
flat angles P-C4'-P energy: -10.159
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: 10, replica: 3
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -86.793456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.793456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.793456 (E_RNA)
where:
Base-Base interactions energy: -31.956
where: short stacking energy: -31.956
Base-Backbone interact. energy: -0.021
local terms energy: -54.816538
where:
bonds (distance) C4'-P energy: -4.515
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -11.069
tors. eta vs tors. theta energy: -9.477
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: 1, replica: 6
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -221.022089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.022089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.022089 (E_RNA)
where:
Base-Base interactions energy: -144.934
where: short stacking energy: -64.866
Base-Backbone interact. energy: -0.038
local terms energy: -76.050208
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -16.727
flat angles P-C4'-P energy: -9.926
tors. eta vs tors. theta energy: -16.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -210.299461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.299461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.299461 (E_RNA)
where:
Base-Base interactions energy: -137.418
where: short stacking energy: -68.302
Base-Backbone interact. energy: -0.684
local terms energy: -72.196734
where:
bonds (distance) C4'-P energy: -10.724
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -15.887
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -20.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -204.701246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.701246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.701246 (E_RNA)
where:
Base-Base interactions energy: -127.807
where: short stacking energy: -64.694
Base-Backbone interact. energy: -1.123
local terms energy: -75.771807
where:
bonds (distance) C4'-P energy: -16.178
bonds (distance) P-C4' energy: -13.653
flat angles C4'-P-C4' energy: -12.957
flat angles P-C4'-P energy: -12.712
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: 4, replica: 10
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -220.842271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.842271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.842271 (E_RNA)
where:
Base-Base interactions energy: -137.438
where: short stacking energy: -70.190
Base-Backbone interact. energy: -1.683
local terms energy: -81.720990
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -17.784
flat angles P-C4'-P energy: -11.692
tors. eta vs tors. theta energy: -21.904
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: 5, replica: 1
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -166.920742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.920742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.920742 (E_RNA)
where:
Base-Base interactions energy: -99.050
where: short stacking energy: -57.627
Base-Backbone interact. energy: -0.030
local terms energy: -67.841201
where:
bonds (distance) C4'-P energy: -11.164
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -13.384
flat angles P-C4'-P energy: -9.176
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: 8
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -169.368522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.368522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.368522 (E_RNA)
where:
Base-Base interactions energy: -109.628
where: short stacking energy: -48.350
Base-Backbone interact. energy: -0.395
local terms energy: -59.345063
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -13.038
flat angles P-C4'-P energy: -11.700
tors. eta vs tors. theta energy: -7.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -96.032266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.032266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.032266 (E_RNA)
where:
Base-Base interactions energy: -49.006
where: short stacking energy: -37.995
Base-Backbone interact. energy: 2.053
local terms energy: -49.079719
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -10.295
flat angles C4'-P-C4' energy: -13.893
flat angles P-C4'-P energy: -5.907
tors. eta vs tors. theta energy: -5.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -88.438817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.438817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.438817 (E_RNA)
where:
Base-Base interactions energy: -36.703
where: short stacking energy: -29.448
Base-Backbone interact. energy: -0.067
local terms energy: -51.668551
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -13.822
flat angles P-C4'-P energy: -5.079
tors. eta vs tors. theta energy: -5.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -85.831722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.831722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.831722 (E_RNA)
where:
Base-Base interactions energy: -34.635
where: short stacking energy: -25.814
Base-Backbone interact. energy: 0.567
local terms energy: -51.763175
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -13.756
flat angles C4'-P-C4' energy: -11.378
flat angles P-C4'-P energy: -8.254
tors. eta vs tors. theta energy: -4.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -74.884980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.884980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.884980 (E_RNA)
where:
Base-Base interactions energy: -23.182
where: short stacking energy: -22.936
Base-Backbone interact. energy: 0.453
local terms energy: -52.156402
where:
bonds (distance) C4'-P energy: -12.249
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -9.672
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: 4
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -222.682223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.682223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.682223 (E_RNA)
where:
Base-Base interactions energy: -142.124
where: short stacking energy: -77.428
Base-Backbone interact. energy: -0.007
local terms energy: -80.550759
where:
bonds (distance) C4'-P energy: -15.954
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -17.117
flat angles P-C4'-P energy: -12.719
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: 2, replica: 6
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -214.248502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.248502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.248502 (E_RNA)
where:
Base-Base interactions energy: -139.126
where: short stacking energy: -65.902
Base-Backbone interact. energy: -0.106
local terms energy: -75.016460
where:
bonds (distance) C4'-P energy: -16.178
bonds (distance) P-C4' energy: -16.870
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -12.030
tors. eta vs tors. theta energy: -13.887
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: 10
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -214.342654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.342654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.342654 (E_RNA)
where:
Base-Base interactions energy: -133.398
where: short stacking energy: -69.173
Base-Backbone interact. energy: 0.280
local terms energy: -81.224987
where:
bonds (distance) C4'-P energy: -13.128
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -17.531
flat angles P-C4'-P energy: -12.283
tors. eta vs tors. theta energy: -22.668
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: 152
Temperature: 1.050000
Total energy: -202.173393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.173393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.173393 (E_RNA)
where:
Base-Base interactions energy: -135.539
where: short stacking energy: -76.910
Base-Backbone interact. energy: 1.414
local terms energy: -68.048513
where:
bonds (distance) C4'-P energy: -14.080
bonds (distance) P-C4' energy: -12.214
flat angles C4'-P-C4' energy: -13.964
flat angles P-C4'-P energy: -7.912
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: 8
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -177.441366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.441366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.441366 (E_RNA)
where:
Base-Base interactions energy: -112.500
where: short stacking energy: -58.536
Base-Backbone interact. energy: -0.006
local terms energy: -64.935477
where:
bonds (distance) C4'-P energy: -15.209
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -11.460
flat angles P-C4'-P energy: -11.753
tors. eta vs tors. theta energy: -13.456
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: 1
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -147.294808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.294808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.294808 (E_RNA)
where:
Base-Base interactions energy: -82.823
where: short stacking energy: -48.714
Base-Backbone interact. energy: -0.014
local terms energy: -64.457265
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -6.554
tors. eta vs tors. theta energy: -13.996
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: 9
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -95.327728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.327728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.327728 (E_RNA)
where:
Base-Base interactions energy: -39.510
where: short stacking energy: -31.027
Base-Backbone interact. energy: -0.103
local terms energy: -55.714439
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -10.434
flat angles P-C4'-P energy: -10.691
tors. eta vs tors. theta energy: -6.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -73.255620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.255620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.255620 (E_RNA)
where:
Base-Base interactions energy: -26.446
where: short stacking energy: -18.874
Base-Backbone interact. energy: -1.322
local terms energy: -45.487401
where:
bonds (distance) C4'-P energy: -12.362
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -13.130
flat angles P-C4'-P energy: -7.114
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: 9, replica: 3
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -80.531844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.531844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.531844 (E_RNA)
where:
Base-Base interactions energy: -29.178
where: short stacking energy: -25.590
Base-Backbone interact. energy: -0.074
local terms energy: -51.279949
where:
bonds (distance) C4'-P energy: -11.694
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -14.826
flat angles P-C4'-P energy: -8.357
tors. eta vs tors. theta energy: -1.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -84.216932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.216932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.216932 (E_RNA)
where:
Base-Base interactions energy: -36.032
where: short stacking energy: -36.032
Base-Backbone interact. energy: -0.166
local terms energy: -48.019134
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -14.010
flat angles C4'-P-C4' energy: -9.989
flat angles P-C4'-P energy: -10.196
tors. eta vs tors. theta energy: -1.957
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: 4
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -214.977599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.977599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.977599 (E_RNA)
where:
Base-Base interactions energy: -144.620
where: short stacking energy: -65.466
Base-Backbone interact. energy: -0.007
local terms energy: -70.350276
where:
bonds (distance) C4'-P energy: -13.576
bonds (distance) P-C4' energy: -13.746
flat angles C4'-P-C4' energy: -14.899
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -18.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -214.301634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.301634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.301634 (E_RNA)
where:
Base-Base interactions energy: -142.446
where: short stacking energy: -67.607
Base-Backbone interact. energy: -0.313
local terms energy: -71.542415
where:
bonds (distance) C4'-P energy: -13.290
bonds (distance) P-C4' energy: -14.853
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: -16.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -222.362314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.362314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.362314 (E_RNA)
where:
Base-Base interactions energy: -151.391
where: short stacking energy: -66.879
Base-Backbone interact. energy: -0.006
local terms energy: -70.964902
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -11.665
flat angles C4'-P-C4' energy: -16.231
flat angles P-C4'-P energy: -10.103
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: 4, replica: 8
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -204.682063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.682063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.682063 (E_RNA)
where:
Base-Base interactions energy: -137.168
where: short stacking energy: -65.064
Base-Backbone interact. energy: -0.444
local terms energy: -67.069243
where:
bonds (distance) C4'-P energy: -7.479
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -10.882
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: 2
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -185.812591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.812591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.812591 (E_RNA)
where:
Base-Base interactions energy: -118.057
where: short stacking energy: -54.651
Base-Backbone interact. energy: -0.813
local terms energy: -66.942817
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -12.967
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -10.024
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: 6, replica: 1
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -147.845933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.845933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.845933 (E_RNA)
where:
Base-Base interactions energy: -93.248
where: short stacking energy: -41.962
Base-Backbone interact. energy: -0.278
local terms energy: -54.319422
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -12.682
flat angles C4'-P-C4' energy: -15.135
flat angles P-C4'-P energy: -7.001
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: 7, replica: 9
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -107.487884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.487884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.487884 (E_RNA)
where:
Base-Base interactions energy: -47.984
where: short stacking energy: -45.338
Base-Backbone interact. energy: -0.157
local terms energy: -59.346784
where:
bonds (distance) C4'-P energy: -9.321
bonds (distance) P-C4' energy: -15.566
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -6.026
tors. eta vs tors. theta energy: -14.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -84.258626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.258626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.258626 (E_RNA)
where:
Base-Base interactions energy: -29.297
where: short stacking energy: -20.702
Base-Backbone interact. energy: -0.114
local terms energy: -54.847165
where:
bonds (distance) C4'-P energy: -13.912
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -10.936
tors. eta vs tors. theta energy: 1.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -89.089723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.089723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.089723 (E_RNA)
where:
Base-Base interactions energy: -49.558
where: short stacking energy: -42.928
Base-Backbone interact. energy: 2.794
local terms energy: -42.324785
where:
bonds (distance) C4'-P energy: -9.764
bonds (distance) P-C4' energy: -10.695
flat angles C4'-P-C4' energy: -6.168
flat angles P-C4'-P energy: -8.719
tors. eta vs tors. theta energy: -6.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -77.961344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.961344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.961344 (E_RNA)
where:
Base-Base interactions energy: -29.171
where: short stacking energy: -26.765
Base-Backbone interact. energy: -0.262
local terms energy: -48.528697
where:
bonds (distance) C4'-P energy: -8.730
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -12.808
flat angles P-C4'-P energy: -8.326
tors. eta vs tors. theta energy: -4.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -216.415424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.415424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.415424 (E_RNA)
where:
Base-Base interactions energy: -134.081
where: short stacking energy: -69.220
Base-Backbone interact. energy: -0.583
local terms energy: -81.750985
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -16.480
flat angles P-C4'-P energy: -12.288
tors. eta vs tors. theta energy: -20.939
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: 10
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -221.103860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.103860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.103860 (E_RNA)
where:
Base-Base interactions energy: -142.189
where: short stacking energy: -67.588
Base-Backbone interact. energy: -0.100
local terms energy: -78.814787
where:
bonds (distance) C4'-P energy: -18.064
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -11.771
tors. eta vs tors. theta energy: -18.250
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: 6
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -208.320737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.320737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.320737 (E_RNA)
where:
Base-Base interactions energy: -133.039
where: short stacking energy: -66.288
Base-Backbone interact. energy: -0.090
local terms energy: -75.191727
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -15.410
flat angles C4'-P-C4' energy: -17.012
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: -18.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -205.570557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.570557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.570557 (E_RNA)
where:
Base-Base interactions energy: -132.625
where: short stacking energy: -57.971
Base-Backbone interact. energy: -0.115
local terms energy: -72.830550
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -9.131
tors. eta vs tors. theta energy: -17.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -178.337856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.337856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.337856 (E_RNA)
where:
Base-Base interactions energy: -116.176
where: short stacking energy: -55.460
Base-Backbone interact. energy: -0.073
local terms energy: -62.089100
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -15.332
flat angles P-C4'-P energy: -8.601
tors. eta vs tors. theta energy: -11.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -149.065444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.065444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.065444 (E_RNA)
where:
Base-Base interactions energy: -85.430
where: short stacking energy: -43.606
Base-Backbone interact. energy: 1.113
local terms energy: -64.748358
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -8.418
tors. eta vs tors. theta energy: -9.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -112.608798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.608798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.608798 (E_RNA)
where:
Base-Base interactions energy: -58.444
where: short stacking energy: -22.348
Base-Backbone interact. energy: 0.128
local terms energy: -54.293331
where:
bonds (distance) C4'-P energy: -12.570
bonds (distance) P-C4' energy: -16.418
flat angles C4'-P-C4' energy: -12.543
flat angles P-C4'-P energy: -8.573
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: 8, replica: 9
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -91.472324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.472324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.472324 (E_RNA)
where:
Base-Base interactions energy: -45.588
where: short stacking energy: -34.821
Base-Backbone interact. energy: 0.497
local terms energy: -46.381020
where:
bonds (distance) C4'-P energy: -8.695
bonds (distance) P-C4' energy: -10.675
flat angles C4'-P-C4' energy: -12.461
flat angles P-C4'-P energy: -11.128
tors. eta vs tors. theta energy: -3.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -79.728128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.728128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.728128 (E_RNA)
where:
Base-Base interactions energy: -25.478
where: short stacking energy: -25.292
Base-Backbone interact. energy: -0.140
local terms energy: -54.109909
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -10.857
flat angles P-C4'-P energy: -4.770
tors. eta vs tors. theta energy: -9.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -80.043980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.043980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.043980 (E_RNA)
where:
Base-Base interactions energy: -25.767
where: short stacking energy: -23.362
Base-Backbone interact. energy: -0.009
local terms energy: -54.268257
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -11.660
flat angles C4'-P-C4' energy: -14.563
flat angles P-C4'-P energy: -8.978
tors. eta vs tors. theta energy: -4.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -220.150451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.150451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.150451 (E_RNA)
where:
Base-Base interactions energy: -145.196
where: short stacking energy: -71.588
Base-Backbone interact. energy: -0.019
local terms energy: -74.935872
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -16.473
flat angles P-C4'-P energy: -12.107
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: 2, replica: 10
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -218.972396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.972396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.972396 (E_RNA)
where:
Base-Base interactions energy: -142.640
where: short stacking energy: -74.943
Base-Backbone interact. energy: -0.007
local terms energy: -76.325956
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -15.858
flat angles P-C4'-P energy: -7.161
tors. eta vs tors. theta energy: -23.174
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: 6
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -202.578654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.578654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.578654 (E_RNA)
where:
Base-Base interactions energy: -135.141
where: short stacking energy: -59.166
Base-Backbone interact. energy: -0.188
local terms energy: -67.249815
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -17.501
flat angles C4'-P-C4' energy: -10.113
flat angles P-C4'-P energy: -6.945
tors. eta vs tors. theta energy: -18.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -180.960289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.960289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.960289 (E_RNA)
where:
Base-Base interactions energy: -110.122
where: short stacking energy: -55.487
Base-Backbone interact. energy: -0.007
local terms energy: -70.831206
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -14.525
flat angles P-C4'-P energy: -13.893
tors. eta vs tors. theta energy: -14.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -208.738570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.738570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.738570 (E_RNA)
where:
Base-Base interactions energy: -132.037
where: short stacking energy: -73.316
Base-Backbone interact. energy: 0.209
local terms energy: -76.910623
where:
bonds (distance) C4'-P energy: -10.001
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -12.959
tors. eta vs tors. theta energy: -24.004
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: 1
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -181.639693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.639693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.639693 (E_RNA)
where:
Base-Base interactions energy: -111.206
where: short stacking energy: -58.064
Base-Backbone interact. energy: -0.333
local terms energy: -70.100581
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -17.246
flat angles C4'-P-C4' energy: -13.953
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -12.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -132.418035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.418035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.418035 (E_RNA)
where:
Base-Base interactions energy: -80.902
where: short stacking energy: -34.274
Base-Backbone interact. energy: -0.955
local terms energy: -50.561718
where:
bonds (distance) C4'-P energy: -9.939
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -10.014
flat angles P-C4'-P energy: -13.688
tors. eta vs tors. theta energy: -5.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -87.311647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.311647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.311647 (E_RNA)
where:
Base-Base interactions energy: -34.325
where: short stacking energy: -34.325
Base-Backbone interact. energy: -0.071
local terms energy: -52.915165
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -5.757
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: 9
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -78.912320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.912320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.912320 (E_RNA)
where:
Base-Base interactions energy: -25.769
where: short stacking energy: -23.928
Base-Backbone interact. energy: 0.266
local terms energy: -53.408765
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -12.097
flat angles P-C4'-P energy: -7.608
tors. eta vs tors. theta energy: -3.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -80.574667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.574667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.574667 (E_RNA)
where:
Base-Base interactions energy: -36.866
where: short stacking energy: -33.186
Base-Backbone interact. energy: -0.351
local terms energy: -43.357201
where:
bonds (distance) C4'-P energy: -11.797
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -10.038
flat angles P-C4'-P energy: -6.580
tors. eta vs tors. theta energy: -0.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -225.662272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.662272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.662272 (E_RNA)
where:
Base-Base interactions energy: -145.687
where: short stacking energy: -71.498
Base-Backbone interact. energy: -0.015
local terms energy: -79.960554
where:
bonds (distance) C4'-P energy: -13.026
bonds (distance) P-C4' energy: -16.233
flat angles C4'-P-C4' energy: -16.304
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: -23.279
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: 2, replica: 10
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -205.551816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.551816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.551816 (E_RNA)
where:
Base-Base interactions energy: -126.194
where: short stacking energy: -60.894
Base-Backbone interact. energy: -0.451
local terms energy: -78.906454
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -17.039
flat angles P-C4'-P energy: -12.675
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: 156
Temperature: 1.000000
Total energy: -208.026875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.026875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.026875 (E_RNA)
where:
Base-Base interactions energy: -135.208
where: short stacking energy: -62.637
Base-Backbone interact. energy: -0.044
local terms energy: -72.775058
where:
bonds (distance) C4'-P energy: -17.824
bonds (distance) P-C4' energy: -14.605
flat angles C4'-P-C4' energy: -15.698
flat angles P-C4'-P energy: -8.187
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: 4, replica: 2
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -186.435456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.435456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.435456 (E_RNA)
where:
Base-Base interactions energy: -115.572
where: short stacking energy: -55.616
Base-Backbone interact. energy: -0.244
local terms energy: -70.618756
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -15.997
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -10.613
tors. eta vs tors. theta energy: -13.593
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: 1
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -189.904607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.904607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.904607 (E_RNA)
where:
Base-Base interactions energy: -123.912
where: short stacking energy: -60.496
Base-Backbone interact. energy: -1.537
local terms energy: -64.455742
where:
bonds (distance) C4'-P energy: -12.351
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -14.492
flat angles P-C4'-P energy: -7.447
tors. eta vs tors. theta energy: -16.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -180.786021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.786021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.786021 (E_RNA)
where:
Base-Base interactions energy: -111.606
where: short stacking energy: -43.839
Base-Backbone interact. energy: -0.491
local terms energy: -68.688486
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -10.090
tors. eta vs tors. theta energy: -14.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -146.345374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.345374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.345374 (E_RNA)
where:
Base-Base interactions energy: -90.929
where: short stacking energy: -42.181
Base-Backbone interact. energy: -1.217
local terms energy: -54.200008
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -16.462
flat angles C4'-P-C4' energy: -9.164
flat angles P-C4'-P energy: -7.032
tors. eta vs tors. theta energy: -9.854
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: 8, replica: 7
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -78.240503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.240503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.240503 (E_RNA)
where:
Base-Base interactions energy: -31.129
where: short stacking energy: -30.079
Base-Backbone interact. energy: -0.113
local terms energy: -46.998073
where:
bonds (distance) C4'-P energy: -10.907
bonds (distance) P-C4' energy: -14.642
flat angles C4'-P-C4' energy: -8.611
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -2.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -80.143789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.143789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.143789 (E_RNA)
where:
Base-Base interactions energy: -33.744
where: short stacking energy: -28.663
Base-Backbone interact. energy: -0.560
local terms energy: -45.839241
where:
bonds (distance) C4'-P energy: -9.391
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -12.136
flat angles P-C4'-P energy: -7.553
tors. eta vs tors. theta energy: -2.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -82.677280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.677280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.677280 (E_RNA)
where:
Base-Base interactions energy: -28.593
where: short stacking energy: -23.658
Base-Backbone interact. energy: -0.174
local terms energy: -53.910358
where:
bonds (distance) C4'-P energy: -13.525
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -8.516
flat angles P-C4'-P energy: -8.022
tors. eta vs tors. theta energy: -10.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -226.691807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.691807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.691807 (E_RNA)
where:
Base-Base interactions energy: -142.889
where: short stacking energy: -76.852
Base-Backbone interact. energy: -0.039
local terms energy: -83.763797
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -13.828
tors. eta vs tors. theta energy: -23.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -211.130020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.130020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.130020 (E_RNA)
where:
Base-Base interactions energy: -137.215
where: short stacking energy: -70.932
Base-Backbone interact. energy: -0.263
local terms energy: -73.652400
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -17.060
flat angles P-C4'-P energy: -7.114
tors. eta vs tors. theta energy: -21.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -219.996087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.996087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.996087 (E_RNA)
where:
Base-Base interactions energy: -142.096
where: short stacking energy: -68.883
Base-Backbone interact. energy: -0.032
local terms energy: -77.868521
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -9.788
tors. eta vs tors. theta energy: -22.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -204.577794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.577794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.577794 (E_RNA)
where:
Base-Base interactions energy: -137.975
where: short stacking energy: -65.454
Base-Backbone interact. energy: 0.888
local terms energy: -67.490133
where:
bonds (distance) C4'-P energy: -9.827
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -15.771
flat angles P-C4'-P energy: -11.624
tors. eta vs tors. theta energy: -15.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -168.759108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.759108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.759108 (E_RNA)
where:
Base-Base interactions energy: -106.291
where: short stacking energy: -47.903
Base-Backbone interact. energy: -0.319
local terms energy: -62.149277
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -10.621
flat angles P-C4'-P energy: -8.663
tors. eta vs tors. theta energy: -9.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -203.432642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.432642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.432642 (E_RNA)
where:
Base-Base interactions energy: -131.704
where: short stacking energy: -59.359
Base-Backbone interact. energy: -0.547
local terms energy: -71.181813
where:
bonds (distance) C4'-P energy: -13.719
bonds (distance) P-C4' energy: -10.275
flat angles C4'-P-C4' energy: -16.980
flat angles P-C4'-P energy: -9.881
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: 7, replica: 3
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -141.750778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.750778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.750778 (E_RNA)
where:
Base-Base interactions energy: -82.607
where: short stacking energy: -46.279
Base-Backbone interact. energy: -0.081
local terms energy: -59.062345
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -12.752
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -11.832
tors. eta vs tors. theta energy: -8.375
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: 5
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -91.467255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.467255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.467255 (E_RNA)
where:
Base-Base interactions energy: -36.853
where: short stacking energy: -29.849
Base-Backbone interact. energy: 0.981
local terms energy: -55.596027
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -15.418
flat angles C4'-P-C4' energy: -14.040
flat angles P-C4'-P energy: -6.647
tors. eta vs tors. theta energy: -4.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -76.291903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.291903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.291903 (E_RNA)
where:
Base-Base interactions energy: -23.267
where: short stacking energy: -15.681
Base-Backbone interact. energy: -0.290
local terms energy: -52.735037
where:
bonds (distance) C4'-P energy: -12.539
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -12.456
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: -1.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -89.444640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.444640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.444640 (E_RNA)
where:
Base-Base interactions energy: -39.716
where: short stacking energy: -39.716
Base-Backbone interact. energy: 0.210
local terms energy: -49.938978
where:
bonds (distance) C4'-P energy: -15.632
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -9.035
flat angles P-C4'-P energy: -4.883
tors. eta vs tors. theta energy: -4.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -214.227867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.227867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.227867 (E_RNA)
where:
Base-Base interactions energy: -134.149
where: short stacking energy: -69.524
Base-Backbone interact. energy: -0.002
local terms energy: -80.076910
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -13.967
flat angles C4'-P-C4' energy: -13.437
flat angles P-C4'-P energy: -14.747
tors. eta vs tors. theta energy: -22.367
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: 4
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -217.895003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.895003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.895003 (E_RNA)
where:
Base-Base interactions energy: -138.353
where: short stacking energy: -73.409
Base-Backbone interact. energy: -0.006
local terms energy: -79.536043
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -14.756
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -11.845
tors. eta vs tors. theta energy: -23.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -212.205355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.205355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.205355 (E_RNA)
where:
Base-Base interactions energy: -137.535
where: short stacking energy: -64.858
Base-Backbone interact. energy: -0.496
local terms energy: -74.174083
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -13.907
flat angles C4'-P-C4' energy: -11.868
flat angles P-C4'-P energy: -11.639
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: 4, replica: 10
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -201.550331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.550331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.550331 (E_RNA)
where:
Base-Base interactions energy: -125.632
where: short stacking energy: -56.403
Base-Backbone interact. energy: -0.423
local terms energy: -75.494737
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -14.515
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -10.821
tors. eta vs tors. theta energy: -18.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -175.878630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.878630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.878630 (E_RNA)
where:
Base-Base interactions energy: -110.832
where: short stacking energy: -54.711
Base-Backbone interact. energy: 0.161
local terms energy: -65.207302
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -14.689
flat angles C4'-P-C4' energy: -12.208
flat angles P-C4'-P energy: -9.897
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: 2
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -172.167333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.167333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.167333 (E_RNA)
where:
Base-Base interactions energy: -103.771
where: short stacking energy: -50.450
Base-Backbone interact. energy: -0.031
local terms energy: -68.365711
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -18.655
flat angles C4'-P-C4' energy: -12.731
flat angles P-C4'-P energy: -8.933
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: 3
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -131.870821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.870821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.870821 (E_RNA)
where:
Base-Base interactions energy: -78.675
where: short stacking energy: -39.027
Base-Backbone interact. energy: 0.347
local terms energy: -53.542782
where:
bonds (distance) C4'-P energy: -11.036
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -4.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -74.758652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.758652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.758652 (E_RNA)
where:
Base-Base interactions energy: -24.660
where: short stacking energy: -18.318
Base-Backbone interact. energy: -0.313
local terms energy: -49.785599
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -9.560
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: 2.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -80.445454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.445454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.445454 (E_RNA)
where:
Base-Base interactions energy: -32.266
where: short stacking energy: -31.371
Base-Backbone interact. energy: -0.408
local terms energy: -47.771334
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -13.369
flat angles C4'-P-C4' energy: -9.786
flat angles P-C4'-P energy: -6.269
tors. eta vs tors. theta energy: -3.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -92.023937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.023937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.023937 (E_RNA)
where:
Base-Base interactions energy: -39.979
where: short stacking energy: -26.830
Base-Backbone interact. energy: -0.085
local terms energy: -51.959689
where:
bonds (distance) C4'-P energy: -13.816
bonds (distance) P-C4' energy: -13.914
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -4.835
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: 1, replica: 6
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -226.727984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.727984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.727984 (E_RNA)
where:
Base-Base interactions energy: -145.470
where: short stacking energy: -78.591
Base-Backbone interact. energy: -0.030
local terms energy: -81.228182
where:
bonds (distance) C4'-P energy: -15.093
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -17.222
flat angles P-C4'-P energy: -11.802
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: 2, replica: 1
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -214.155251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.155251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.155251 (E_RNA)
where:
Base-Base interactions energy: -134.024
where: short stacking energy: -68.731
Base-Backbone interact. energy: -0.180
local terms energy: -79.951851
where:
bonds (distance) C4'-P energy: -17.215
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -10.331
tors. eta vs tors. theta energy: -21.447
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: 4
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -216.370390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.370390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.370390 (E_RNA)
where:
Base-Base interactions energy: -138.624
where: short stacking energy: -61.172
Base-Backbone interact. energy: 2.644
local terms energy: -80.390203
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -17.666
flat angles C4'-P-C4' energy: -15.764
flat angles P-C4'-P energy: -9.970
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: 4, replica: 8
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -185.439203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.439203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.439203 (E_RNA)
where:
Base-Base interactions energy: -123.849
where: short stacking energy: -56.876
Base-Backbone interact. energy: -0.178
local terms energy: -61.412478
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -14.274
flat angles P-C4'-P energy: -4.167
tors. eta vs tors. theta energy: -13.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -198.634923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.634923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.634923 (E_RNA)
where:
Base-Base interactions energy: -127.066
where: short stacking energy: -59.981
Base-Backbone interact. energy: -0.133
local terms energy: -71.435998
where:
bonds (distance) C4'-P energy: -13.700
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -10.114
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: 6, replica: 2
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -164.920729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.920729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.920729 (E_RNA)
where:
Base-Base interactions energy: -104.339
where: short stacking energy: -45.749
Base-Backbone interact. energy: -0.616
local terms energy: -59.966406
where:
bonds (distance) C4'-P energy: -10.877
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -14.142
flat angles P-C4'-P energy: -10.412
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: 7, replica: 3
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -122.739060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.739060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.739060 (E_RNA)
where:
Base-Base interactions energy: -70.462
where: short stacking energy: -31.279
Base-Backbone interact. energy: -0.123
local terms energy: -52.153704
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -10.797
flat angles C4'-P-C4' energy: -12.669
flat angles P-C4'-P energy: -7.939
tors. eta vs tors. theta energy: -6.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -87.344590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.344590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.344590 (E_RNA)
where:
Base-Base interactions energy: -28.697
where: short stacking energy: -27.025
Base-Backbone interact. energy: -0.222
local terms energy: -58.425393
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -16.698
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -10.745
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: 9, replica: 5
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -80.980453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.980453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.980453 (E_RNA)
where:
Base-Base interactions energy: -29.896
where: short stacking energy: -23.710
Base-Backbone interact. energy: -0.215
local terms energy: -50.869100
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -16.986
flat angles P-C4'-P energy: -0.657
tors. eta vs tors. theta energy: -3.639
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: 9
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -71.550659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.550659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.550659 (E_RNA)
where:
Base-Base interactions energy: -21.585
where: short stacking energy: -19.206
Base-Backbone interact. energy: -0.191
local terms energy: -49.774944
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -8.644
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: 0.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -219.167574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.167574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.167574 (E_RNA)
where:
Base-Base interactions energy: -138.515
where: short stacking energy: -71.648
Base-Backbone interact. energy: -0.099
local terms energy: -80.553552
where:
bonds (distance) C4'-P energy: -16.247
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -15.311
flat angles P-C4'-P energy: -11.968
tors. eta vs tors. theta energy: -20.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -216.861072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.861072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.861072 (E_RNA)
where:
Base-Base interactions energy: -138.518
where: short stacking energy: -73.089
Base-Backbone interact. energy: -0.004
local terms energy: -78.339176
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -18.004
flat angles P-C4'-P energy: -7.719
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: 3, replica: 8
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -196.232055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.232055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.232055 (E_RNA)
where:
Base-Base interactions energy: -129.294
where: short stacking energy: -69.394
Base-Backbone interact. energy: -0.011
local terms energy: -66.927137
where:
bonds (distance) C4'-P energy: -9.073
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -9.364
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: 4, replica: 4
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -198.001373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.001373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.001373 (E_RNA)
where:
Base-Base interactions energy: -124.157
where: short stacking energy: -61.950
Base-Backbone interact. energy: -0.025
local terms energy: -73.820036
where:
bonds (distance) C4'-P energy: -14.125
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -17.470
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -17.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -171.458183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.458183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.458183 (E_RNA)
where:
Base-Base interactions energy: -109.671
where: short stacking energy: -51.507
Base-Backbone interact. energy: -0.654
local terms energy: -61.133944
where:
bonds (distance) C4'-P energy: -10.181
bonds (distance) P-C4' energy: -16.170
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -6.273
tors. eta vs tors. theta energy: -12.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -183.114262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.114262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.114262 (E_RNA)
where:
Base-Base interactions energy: -112.176
where: short stacking energy: -55.000
Base-Backbone interact. energy: -0.086
local terms energy: -70.852945
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -12.372
flat angles C4'-P-C4' energy: -13.154
flat angles P-C4'-P energy: -13.916
tors. eta vs tors. theta energy: -17.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -109.476719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.476719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.476719 (E_RNA)
where:
Base-Base interactions energy: -53.868
where: short stacking energy: -25.262
Base-Backbone interact. energy: 0.757
local terms energy: -56.365706
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -18.250
flat angles C4'-P-C4' energy: -12.812
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -2.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -108.157796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.157796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.157796 (E_RNA)
where:
Base-Base interactions energy: -48.337
where: short stacking energy: -34.759
Base-Backbone interact. energy: -0.212
local terms energy: -59.608707
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -5.437
tors. eta vs tors. theta energy: -9.337
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: 9
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -74.673750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.673750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.673750 (E_RNA)
where:
Base-Base interactions energy: -30.870
where: short stacking energy: -30.540
Base-Backbone interact. energy: -0.231
local terms energy: -43.573021
where:
bonds (distance) C4'-P energy: -7.730
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -5.527
tors. eta vs tors. theta energy: -0.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -75.347667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.347667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.347667 (E_RNA)
where:
Base-Base interactions energy: -23.909
where: short stacking energy: -24.009
Base-Backbone interact. energy: -0.136
local terms energy: -51.302240
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -5.964
tors. eta vs tors. theta energy: -0.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -218.620963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.620963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.620963 (E_RNA)
where:
Base-Base interactions energy: -143.536
where: short stacking energy: -69.696
Base-Backbone interact. energy: -0.023
local terms energy: -75.061858
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -16.413
flat angles P-C4'-P energy: -12.137
tors. eta vs tors. theta energy: -19.925
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: 8
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -205.020788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.020788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.020788 (E_RNA)
where:
Base-Base interactions energy: -133.192
where: short stacking energy: -62.894
Base-Backbone interact. energy: -0.024
local terms energy: -71.804322
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -12.867
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: -19.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -211.166480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.166480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.166480 (E_RNA)
where:
Base-Base interactions energy: -141.008
where: short stacking energy: -76.308
Base-Backbone interact. energy: -0.014
local terms energy: -70.144433
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -11.696
flat angles C4'-P-C4' energy: -14.610
flat angles P-C4'-P energy: -9.792
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: 2
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -173.430048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.430048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.430048 (E_RNA)
where:
Base-Base interactions energy: -112.957
where: short stacking energy: -58.391
Base-Backbone interact. energy: -0.208
local terms energy: -60.264659
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -13.995
flat angles C4'-P-C4' energy: -13.871
flat angles P-C4'-P energy: -5.628
tors. eta vs tors. theta energy: -14.717
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: 4
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -180.192801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.192801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.192801 (E_RNA)
where:
Base-Base interactions energy: -118.300
where: short stacking energy: -51.093
Base-Backbone interact. energy: -0.008
local terms energy: -61.884938
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -11.442
flat angles P-C4'-P energy: -3.479
tors. eta vs tors. theta energy: -13.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -175.603724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.603724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.603724 (E_RNA)
where:
Base-Base interactions energy: -112.776
where: short stacking energy: -52.841
Base-Backbone interact. energy: -0.116
local terms energy: -62.711307
where:
bonds (distance) C4'-P energy: -10.057
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -12.214
flat angles P-C4'-P energy: -12.036
tors. eta vs tors. theta energy: -14.923
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: 3
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -93.398519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.398519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.398519 (E_RNA)
where:
Base-Base interactions energy: -35.056
where: short stacking energy: -34.721
Base-Backbone interact. energy: -0.212
local terms energy: -58.130769
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -13.184
flat angles P-C4'-P energy: -6.713
tors. eta vs tors. theta energy: -8.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -95.375954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.375954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.375954 (E_RNA)
where:
Base-Base interactions energy: -40.705
where: short stacking energy: -25.888
Base-Backbone interact. energy: -0.013
local terms energy: -54.658210
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -18.482
flat angles C4'-P-C4' energy: -10.925
flat angles P-C4'-P energy: -9.951
tors. eta vs tors. theta energy: -0.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -78.226606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.226606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.226606 (E_RNA)
where:
Base-Base interactions energy: -27.521
where: short stacking energy: -25.210
Base-Backbone interact. energy: -0.488
local terms energy: -50.217474
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -12.005
flat angles P-C4'-P energy: -7.725
tors. eta vs tors. theta energy: -0.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -80.887462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.887462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.887462 (E_RNA)
where:
Base-Base interactions energy: -22.852
where: short stacking energy: -22.852
Base-Backbone interact. energy: -0.347
local terms energy: -57.688183
where:
bonds (distance) C4'-P energy: -17.266
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -15.067
flat angles P-C4'-P energy: -9.257
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: 1
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -220.796300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.796300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.796300 (E_RNA)
where:
Base-Base interactions energy: -141.526
where: short stacking energy: -71.169
Base-Backbone interact. energy: -0.007
local terms energy: -79.263578
where:
bonds (distance) C4'-P energy: -13.963
bonds (distance) P-C4' energy: -14.103
flat angles C4'-P-C4' energy: -15.522
flat angles P-C4'-P energy: -13.558
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: 2, replica: 8
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -202.526101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.526101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.526101 (E_RNA)
where:
Base-Base interactions energy: -129.566
where: short stacking energy: -62.241
Base-Backbone interact. energy: -0.050
local terms energy: -72.909852
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -13.952
flat angles P-C4'-P energy: -10.165
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: 3, replica: 6
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -214.837397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.837397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.837397 (E_RNA)
where:
Base-Base interactions energy: -143.193
where: short stacking energy: -71.350
Base-Backbone interact. energy: 1.502
local terms energy: -73.146924
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -13.844
flat angles C4'-P-C4' energy: -13.086
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: -22.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -191.970175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.970175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.970175 (E_RNA)
where:
Base-Base interactions energy: -125.442
where: short stacking energy: -55.695
Base-Backbone interact. energy: -0.059
local terms energy: -66.469591
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: -13.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -167.995718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.995718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.995718 (E_RNA)
where:
Base-Base interactions energy: -110.308
where: short stacking energy: -51.521
Base-Backbone interact. energy: -0.011
local terms energy: -57.677304
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -11.398
flat angles P-C4'-P energy: -7.159
tors. eta vs tors. theta energy: -11.389
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: 162
Temperature: 1.150000
Total energy: -172.104947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.104947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.104947 (E_RNA)
where:
Base-Base interactions energy: -103.146
where: short stacking energy: -44.822
Base-Backbone interact. energy: -0.012
local terms energy: -68.946900
where:
bonds (distance) C4'-P energy: -16.408
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -12.195
flat angles P-C4'-P energy: -12.819
tors. eta vs tors. theta energy: -10.417
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: 7, replica: 9
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -93.658145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.658145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.658145 (E_RNA)
where:
Base-Base interactions energy: -32.128
where: short stacking energy: -18.645
Base-Backbone interact. energy: -0.236
local terms energy: -61.293697
where:
bonds (distance) C4'-P energy: -15.735
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -15.317
flat angles P-C4'-P energy: -9.687
tors. eta vs tors. theta energy: -6.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -97.552891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.552891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.552891 (E_RNA)
where:
Base-Base interactions energy: -46.931
where: short stacking energy: -33.768
Base-Backbone interact. energy: -0.447
local terms energy: -50.174506
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -14.580
flat angles P-C4'-P energy: -6.463
tors. eta vs tors. theta energy: 2.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -83.905644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.905644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.905644 (E_RNA)
where:
Base-Base interactions energy: -31.646
where: short stacking energy: -28.293
Base-Backbone interact. energy: -0.136
local terms energy: -52.124345
where:
bonds (distance) C4'-P energy: -16.765
bonds (distance) P-C4' energy: -11.239
flat angles C4'-P-C4' energy: -12.953
flat angles P-C4'-P energy: -7.436
tors. eta vs tors. theta energy: -3.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -76.729196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.729196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.729196 (E_RNA)
where:
Base-Base interactions energy: -30.659
where: short stacking energy: -26.100
Base-Backbone interact. energy: -0.117
local terms energy: -45.953574
where:
bonds (distance) C4'-P energy: -11.059
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -11.932
flat angles P-C4'-P energy: -4.632
tors. eta vs tors. theta energy: -1.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -225.528341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.528341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.528341 (E_RNA)
where:
Base-Base interactions energy: -144.033
where: short stacking energy: -73.837
Base-Backbone interact. energy: -0.033
local terms energy: -81.463014
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -16.869
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: -22.113
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: 2, replica: 6
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -211.078297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.078297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.078297 (E_RNA)
where:
Base-Base interactions energy: -137.340
where: short stacking energy: -68.395
Base-Backbone interact. energy: -0.140
local terms energy: -73.598520
where:
bonds (distance) C4'-P energy: -10.231
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -18.170
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -20.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -198.596609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.596609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.596609 (E_RNA)
where:
Base-Base interactions energy: -133.051
where: short stacking energy: -68.617
Base-Backbone interact. energy: -1.355
local terms energy: -64.190630
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -9.921
flat angles C4'-P-C4' energy: -12.201
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -17.321
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: 10
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -198.707529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.707529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.707529 (E_RNA)
where:
Base-Base interactions energy: -128.672
where: short stacking energy: -57.474
Base-Backbone interact. energy: -0.348
local terms energy: -69.687099
where:
bonds (distance) C4'-P energy: -15.962
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -16.438
flat angles P-C4'-P energy: -10.016
tors. eta vs tors. theta energy: -10.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -191.157609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.157609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.157609 (E_RNA)
where:
Base-Base interactions energy: -122.423
where: short stacking energy: -58.819
Base-Backbone interact. energy: -0.115
local terms energy: -68.620116
where:
bonds (distance) C4'-P energy: -12.317
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -15.871
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: -14.269
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: 4
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -179.505246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.505246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.505246 (E_RNA)
where:
Base-Base interactions energy: -115.316
where: short stacking energy: -59.215
Base-Backbone interact. energy: -0.002
local terms energy: -64.187438
where:
bonds (distance) C4'-P energy: -12.616
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -13.953
flat angles P-C4'-P energy: -9.373
tors. eta vs tors. theta energy: -14.688
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: 9
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -85.505860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.505860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.505860 (E_RNA)
where:
Base-Base interactions energy: -40.386
where: short stacking energy: -38.713
Base-Backbone interact. energy: -0.591
local terms energy: -44.528858
where:
bonds (distance) C4'-P energy: -9.000
bonds (distance) P-C4' energy: -6.696
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -3.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -76.894988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.894988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.894988 (E_RNA)
where:
Base-Base interactions energy: -24.777
where: short stacking energy: -18.604
Base-Backbone interact. energy: -0.385
local terms energy: -51.733292
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -10.877
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: -0.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -75.907780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.907780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.907780 (E_RNA)
where:
Base-Base interactions energy: -25.569
where: short stacking energy: -25.667
Base-Backbone interact. energy: -0.049
local terms energy: -50.289207
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -6.081
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -3.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -81.721425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.721425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.721425 (E_RNA)
where:
Base-Base interactions energy: -44.473
where: short stacking energy: -29.177
Base-Backbone interact. energy: -0.132
local terms energy: -37.116044
where:
bonds (distance) C4'-P energy: -7.234
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -11.202
flat angles P-C4'-P energy: 2.169
tors. eta vs tors. theta energy: -6.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -224.379512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.379512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.379512 (E_RNA)
where:
Base-Base interactions energy: -145.052
where: short stacking energy: -68.924
Base-Backbone interact. energy: -0.052
local terms energy: -79.275480
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -16.247
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -11.193
tors. eta vs tors. theta energy: -21.026
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: 6
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -220.702926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.702926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.702926 (E_RNA)
where:
Base-Base interactions energy: -144.113
where: short stacking energy: -76.172
Base-Backbone interact. energy: -0.019
local terms energy: -76.570160
where:
bonds (distance) C4'-P energy: -16.649
bonds (distance) P-C4' energy: -13.968
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -12.785
tors. eta vs tors. theta energy: -20.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -202.329357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.329357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.329357 (E_RNA)
where:
Base-Base interactions energy: -131.273
where: short stacking energy: -65.852
Base-Backbone interact. energy: -0.119
local terms energy: -70.937057
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -14.038
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: -17.778
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: 4, replica: 8
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -209.534176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.534176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.534176 (E_RNA)
where:
Base-Base interactions energy: -134.832
where: short stacking energy: -72.964
Base-Backbone interact. energy: -0.032
local terms energy: -74.669744
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -13.820
flat angles C4'-P-C4' energy: -15.617
flat angles P-C4'-P energy: -9.673
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: 5, replica: 4
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -201.649654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.649654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.649654 (E_RNA)
where:
Base-Base interactions energy: -129.613
where: short stacking energy: -66.226
Base-Backbone interact. energy: -1.041
local terms energy: -70.995104
where:
bonds (distance) C4'-P energy: -8.946
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -18.152
flat angles P-C4'-P energy: -10.708
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: 6, replica: 2
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -184.020474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.020474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.020474 (E_RNA)
where:
Base-Base interactions energy: -113.631
where: short stacking energy: -56.517
Base-Backbone interact. energy: -0.052
local terms energy: -70.337178
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -12.592
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -10.682
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: 7, replica: 3
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -96.518421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.518421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.518421 (E_RNA)
where:
Base-Base interactions energy: -39.356
where: short stacking energy: -37.220
Base-Backbone interact. energy: 2.254
local terms energy: -59.417138
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -16.307
flat angles C4'-P-C4' energy: -15.459
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: -4.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -105.616349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.616349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.616349 (E_RNA)
where:
Base-Base interactions energy: -53.960
where: short stacking energy: -28.362
Base-Backbone interact. energy: -0.149
local terms energy: -51.506776
where:
bonds (distance) C4'-P energy: -15.327
bonds (distance) P-C4' energy: -11.330
flat angles C4'-P-C4' energy: -15.558
flat angles P-C4'-P energy: -7.499
tors. eta vs tors. theta energy: -1.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -83.642463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.642463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.642463 (E_RNA)
where:
Base-Base interactions energy: -32.366
where: short stacking energy: -30.076
Base-Backbone interact. energy: -0.026
local terms energy: -51.250133
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -9.851
flat angles P-C4'-P energy: -6.156
tors. eta vs tors. theta energy: -3.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -77.513823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.513823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.513823 (E_RNA)
where:
Base-Base interactions energy: -24.553
where: short stacking energy: -24.553
Base-Backbone interact. energy: -0.238
local terms energy: -52.722546
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -9.898
flat angles C4'-P-C4' energy: -15.248
flat angles P-C4'-P energy: -10.794
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: 1
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -219.950597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.950597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.950597 (E_RNA)
where:
Base-Base interactions energy: -138.934
where: short stacking energy: -75.573
Base-Backbone interact. energy: -0.047
local terms energy: -80.968770
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -16.408
flat angles P-C4'-P energy: -10.343
tors. eta vs tors. theta energy: -23.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -220.902272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.902272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.902272 (E_RNA)
where:
Base-Base interactions energy: -135.335
where: short stacking energy: -68.575
Base-Backbone interact. energy: -0.109
local terms energy: -85.458480
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -18.119
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -15.100
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: 3, replica: 10
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -206.822984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.822984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.822984 (E_RNA)
where:
Base-Base interactions energy: -132.755
where: short stacking energy: -70.800
Base-Backbone interact. energy: -0.431
local terms energy: -73.637241
where:
bonds (distance) C4'-P energy: -14.720
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -15.007
flat angles P-C4'-P energy: -12.346
tors. eta vs tors. theta energy: -16.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -202.506724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.506724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.506724 (E_RNA)
where:
Base-Base interactions energy: -133.738
where: short stacking energy: -68.564
Base-Backbone interact. energy: -0.017
local terms energy: -68.751741
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -13.588
flat angles C4'-P-C4' energy: -14.336
flat angles P-C4'-P energy: -13.174
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: 5, replica: 8
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -196.930599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.930599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.930599 (E_RNA)
where:
Base-Base interactions energy: -123.787
where: short stacking energy: -56.116
Base-Backbone interact. energy: -0.349
local terms energy: -72.794859
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -17.510
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -14.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -177.241376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.241376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.241376 (E_RNA)
where:
Base-Base interactions energy: -111.403
where: short stacking energy: -51.483
Base-Backbone interact. energy: -0.131
local terms energy: -65.707691
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -13.496
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -7.049
tors. eta vs tors. theta energy: -16.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -82.582313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.582313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.582313 (E_RNA)
where:
Base-Base interactions energy: -22.136
where: short stacking energy: -22.125
Base-Backbone interact. energy: -0.003
local terms energy: -60.443762
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -13.459
flat angles P-C4'-P energy: -6.986
tors. eta vs tors. theta energy: -5.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -94.587189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.587189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.587189 (E_RNA)
where:
Base-Base interactions energy: -39.406
where: short stacking energy: -37.723
Base-Backbone interact. energy: -0.050
local terms energy: -55.131101
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -11.111
flat angles C4'-P-C4' energy: -14.084
flat angles P-C4'-P energy: -5.878
tors. eta vs tors. theta energy: -9.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -75.395695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.395695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.395695 (E_RNA)
where:
Base-Base interactions energy: -26.669
where: short stacking energy: -26.669
Base-Backbone interact. energy: -0.171
local terms energy: -48.555266
where:
bonds (distance) C4'-P energy: -9.847
bonds (distance) P-C4' energy: -12.782
flat angles C4'-P-C4' energy: -17.012
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: 0.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -73.067038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.067038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.067038 (E_RNA)
where:
Base-Base interactions energy: -24.810
where: short stacking energy: -20.885
Base-Backbone interact. energy: -0.071
local terms energy: -48.185568
where:
bonds (distance) C4'-P energy: -10.595
bonds (distance) P-C4' energy: -11.487
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: -0.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -221.373618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.373618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.373618 (E_RNA)
where:
Base-Base interactions energy: -146.173
where: short stacking energy: -69.719
Base-Backbone interact. energy: -0.004
local terms energy: -75.196789
where:
bonds (distance) C4'-P energy: -15.665
bonds (distance) P-C4' energy: -9.815
flat angles C4'-P-C4' energy: -19.252
flat angles P-C4'-P energy: -11.277
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: 1
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -216.930619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.930619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.930619 (E_RNA)
where:
Base-Base interactions energy: -137.802
where: short stacking energy: -71.358
Base-Backbone interact. energy: 0.324
local terms energy: -79.452557
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -16.591
flat angles P-C4'-P energy: -10.268
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: 3, replica: 4
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -217.067103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.067103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.067103 (E_RNA)
where:
Base-Base interactions energy: -138.261
where: short stacking energy: -72.483
Base-Backbone interact. energy: -0.150
local terms energy: -78.655905
where:
bonds (distance) C4'-P energy: -15.679
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -16.575
flat angles P-C4'-P energy: -6.530
tors. eta vs tors. theta energy: -24.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -211.413353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.413353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.413353 (E_RNA)
where:
Base-Base interactions energy: -136.524
where: short stacking energy: -73.289
Base-Backbone interact. energy: -1.054
local terms energy: -73.836245
where:
bonds (distance) C4'-P energy: -10.720
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -19.131
flat angles P-C4'-P energy: -8.711
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: 5, replica: 2
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -204.938782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.938782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.938782 (E_RNA)
where:
Base-Base interactions energy: -127.573
where: short stacking energy: -69.309
Base-Backbone interact. energy: -0.425
local terms energy: -76.940779
where:
bonds (distance) C4'-P energy: -10.169
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -16.443
flat angles P-C4'-P energy: -10.241
tors. eta vs tors. theta energy: -22.847
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: 8
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -182.884948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.884948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.884948 (E_RNA)
where:
Base-Base interactions energy: -111.153
where: short stacking energy: -53.728
Base-Backbone interact. energy: -1.260
local terms energy: -70.472489
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -16.000
flat angles C4'-P-C4' energy: -13.821
flat angles P-C4'-P energy: -11.154
tors. eta vs tors. theta energy: -13.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -89.839036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.839036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.839036 (E_RNA)
where:
Base-Base interactions energy: -40.109
where: short stacking energy: -32.306
Base-Backbone interact. energy: -0.029
local terms energy: -49.701496
where:
bonds (distance) C4'-P energy: -8.646
bonds (distance) P-C4' energy: -12.675
flat angles C4'-P-C4' energy: -12.555
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -6.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -82.780377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.780377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.780377 (E_RNA)
where:
Base-Base interactions energy: -29.674
where: short stacking energy: -24.200
Base-Backbone interact. energy: -0.115
local terms energy: -52.991062
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -15.174
flat angles P-C4'-P energy: -4.427
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: 9, replica: 9
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -76.719864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.719864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.719864 (E_RNA)
where:
Base-Base interactions energy: -29.209
where: short stacking energy: -23.402
Base-Backbone interact. energy: -0.490
local terms energy: -47.020774
where:
bonds (distance) C4'-P energy: -10.594
bonds (distance) P-C4' energy: -14.517
flat angles C4'-P-C4' energy: -13.558
flat angles P-C4'-P energy: -10.643
tors. eta vs tors. theta energy: 2.291
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: 5
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -87.363598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.363598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.363598 (E_RNA)
where:
Base-Base interactions energy: -39.235
where: short stacking energy: -34.848
Base-Backbone interact. energy: -0.022
local terms energy: -48.106743
where:
bonds (distance) C4'-P energy: -13.777
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -6.788
flat angles P-C4'-P energy: -9.138
tors. eta vs tors. theta energy: -4.948
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: 6
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -219.314222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.314222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.314222 (E_RNA)
where:
Base-Base interactions energy: -135.423
where: short stacking energy: -70.932
Base-Backbone interact. energy: -0.012
local terms energy: -83.879002
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -18.141
flat angles P-C4'-P energy: -13.647
tors. eta vs tors. theta energy: -22.696
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: 4
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -217.173456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.173456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.173456 (E_RNA)
where:
Base-Base interactions energy: -143.899
where: short stacking energy: -73.127
Base-Backbone interact. energy: -0.012
local terms energy: -73.262892
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -13.621
flat angles C4'-P-C4' energy: -16.202
flat angles P-C4'-P energy: -10.406
tors. eta vs tors. theta energy: -18.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -212.717977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.717977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.717977 (E_RNA)
where:
Base-Base interactions energy: -134.580
where: short stacking energy: -70.688
Base-Backbone interact. energy: 0.383
local terms energy: -78.520260
where:
bonds (distance) C4'-P energy: -11.912
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -17.838
flat angles P-C4'-P energy: -8.459
tors. eta vs tors. theta energy: -24.772
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: 10
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -217.031597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.031597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.031597 (E_RNA)
where:
Base-Base interactions energy: -138.636
where: short stacking energy: -69.984
Base-Backbone interact. energy: -1.288
local terms energy: -77.107366
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -16.957
flat angles P-C4'-P energy: -9.446
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: 5, replica: 2
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -211.361808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.361808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.361808 (E_RNA)
where:
Base-Base interactions energy: -133.780
where: short stacking energy: -73.584
Base-Backbone interact. energy: -0.267
local terms energy: -77.314776
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -13.557
flat angles P-C4'-P energy: -11.617
tors. eta vs tors. theta energy: -22.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -200.420587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.420587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.420587 (E_RNA)
where:
Base-Base interactions energy: -128.038
where: short stacking energy: -64.313
Base-Backbone interact. energy: -0.369
local terms energy: -72.013566
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -9.709
tors. eta vs tors. theta energy: -19.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -91.638051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.638051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.638051 (E_RNA)
where:
Base-Base interactions energy: -45.554
where: short stacking energy: -45.238
Base-Backbone interact. energy: -0.010
local terms energy: -46.073338
where:
bonds (distance) C4'-P energy: -9.847
bonds (distance) P-C4' energy: -12.818
flat angles C4'-P-C4' energy: -9.669
flat angles P-C4'-P energy: -4.165
tors. eta vs tors. theta energy: -9.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -89.254440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.254440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.254440 (E_RNA)
where:
Base-Base interactions energy: -27.901
where: short stacking energy: -27.901
Base-Backbone interact. energy: -0.094
local terms energy: -61.259473
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -15.219
flat angles P-C4'-P energy: -7.918
tors. eta vs tors. theta energy: -9.823
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: 9, replica: 3
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -84.854156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.854156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.854156 (E_RNA)
where:
Base-Base interactions energy: -30.227
where: short stacking energy: -28.117
Base-Backbone interact. energy: -0.014
local terms energy: -54.613839
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: 0.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -77.306882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.306882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.306882 (E_RNA)
where:
Base-Base interactions energy: -31.396
where: short stacking energy: -28.543
Base-Backbone interact. energy: 0.146
local terms energy: -46.056810
where:
bonds (distance) C4'-P energy: -13.839
bonds (distance) P-C4' energy: -13.356
flat angles C4'-P-C4' energy: -11.716
flat angles P-C4'-P energy: -6.748
tors. eta vs tors. theta energy: -0.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -220.797800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.797800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.797800 (E_RNA)
where:
Base-Base interactions energy: -145.731
where: short stacking energy: -77.311
Base-Backbone interact. energy: 0.470
local terms energy: -75.537009
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -12.660
tors. eta vs tors. theta energy: -19.467
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: 2, replica: 4
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -217.385204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.385204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.385204 (E_RNA)
where:
Base-Base interactions energy: -141.832
where: short stacking energy: -70.449
Base-Backbone interact. energy: -0.068
local terms energy: -75.485633
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -14.095
flat angles C4'-P-C4' energy: -15.765
flat angles P-C4'-P energy: -10.650
tors. eta vs tors. theta energy: -21.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -211.039989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.039989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.039989 (E_RNA)
where:
Base-Base interactions energy: -134.967
where: short stacking energy: -65.607
Base-Backbone interact. energy: -0.016
local terms energy: -76.056289
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -13.370
flat angles C4'-P-C4' energy: -18.790
flat angles P-C4'-P energy: -10.166
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: 4, replica: 1
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -200.723264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.723264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.723264 (E_RNA)
where:
Base-Base interactions energy: -131.434
where: short stacking energy: -64.076
Base-Backbone interact. energy: -0.974
local terms energy: -68.314399
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -15.011
flat angles C4'-P-C4' energy: -14.515
flat angles P-C4'-P energy: -9.676
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: 5, replica: 2
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -197.118490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.118490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.118490 (E_RNA)
where:
Base-Base interactions energy: -126.582
where: short stacking energy: -62.618
Base-Backbone interact. energy: -1.258
local terms energy: -69.278941
where:
bonds (distance) C4'-P energy: -14.528
bonds (distance) P-C4' energy: -12.673
flat angles C4'-P-C4' energy: -13.657
flat angles P-C4'-P energy: -11.392
tors. eta vs tors. theta energy: -17.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -181.509771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.509771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.509771 (E_RNA)
where:
Base-Base interactions energy: -114.643
where: short stacking energy: -61.352
Base-Backbone interact. energy: -0.256
local terms energy: -66.610867
where:
bonds (distance) C4'-P energy: -10.723
bonds (distance) P-C4' energy: -11.670
flat angles C4'-P-C4' energy: -16.130
flat angles P-C4'-P energy: -12.593
tors. eta vs tors. theta energy: -15.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -81.250018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.250018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.250018 (E_RNA)
where:
Base-Base interactions energy: -26.557
where: short stacking energy: -24.921
Base-Backbone interact. energy: 1.283
local terms energy: -55.976063
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -9.488
tors. eta vs tors. theta energy: -2.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -85.701980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.701980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.701980 (E_RNA)
where:
Base-Base interactions energy: -36.452
where: short stacking energy: -32.557
Base-Backbone interact. energy: -0.262
local terms energy: -48.987746
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -12.253
flat angles P-C4'-P energy: -2.114
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: 9, replica: 5
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -70.635105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.635105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.635105 (E_RNA)
where:
Base-Base interactions energy: -30.383
where: short stacking energy: -30.383
Base-Backbone interact. energy: 0.026
local terms energy: -40.278217
where:
bonds (distance) C4'-P energy: -8.948
bonds (distance) P-C4' energy: -10.066
flat angles C4'-P-C4' energy: -14.005
flat angles P-C4'-P energy: -6.677
tors. eta vs tors. theta energy: -0.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -77.763198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.763198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.763198 (E_RNA)
where:
Base-Base interactions energy: -29.748
where: short stacking energy: -29.748
Base-Backbone interact. energy: -0.068
local terms energy: -47.947590
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -13.537
flat angles C4'-P-C4' energy: -13.459
flat angles P-C4'-P energy: -2.044
tors. eta vs tors. theta energy: -4.868
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: 6
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -222.018812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.018812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.018812 (E_RNA)
where:
Base-Base interactions energy: -146.146
where: short stacking energy: -71.785
Base-Backbone interact. energy: -0.017
local terms energy: -75.855346
where:
bonds (distance) C4'-P energy: -10.183
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -18.162
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -19.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -196.377168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.377168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.377168 (E_RNA)
where:
Base-Base interactions energy: -123.000
where: short stacking energy: -58.251
Base-Backbone interact. energy: -0.164
local terms energy: -73.212500
where:
bonds (distance) C4'-P energy: -14.836
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -12.185
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: 3, replica: 4
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -216.196465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.196465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.196465 (E_RNA)
where:
Base-Base interactions energy: -137.038
where: short stacking energy: -75.465
Base-Backbone interact. energy: -0.075
local terms energy: -79.083426
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -15.257
flat angles P-C4'-P energy: -11.942
tors. eta vs tors. theta energy: -20.145
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: 1
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -200.413894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.413894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.413894 (E_RNA)
where:
Base-Base interactions energy: -131.674
where: short stacking energy: -59.124
Base-Backbone interact. energy: -0.133
local terms energy: -68.606131
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -13.144
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -8.743
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: 5, replica: 2
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -201.629255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.629255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.629255 (E_RNA)
where:
Base-Base interactions energy: -131.839
where: short stacking energy: -66.436
Base-Backbone interact. energy: -0.006
local terms energy: -69.783931
where:
bonds (distance) C4'-P energy: -12.411
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -11.731
tors. eta vs tors. theta energy: -17.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -176.836808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.836808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.836808 (E_RNA)
where:
Base-Base interactions energy: -113.326
where: short stacking energy: -52.913
Base-Backbone interact. energy: 0.014
local terms energy: -63.525292
where:
bonds (distance) C4'-P energy: -9.338
bonds (distance) P-C4' energy: -12.974
flat angles C4'-P-C4' energy: -15.552
flat angles P-C4'-P energy: -11.023
tors. eta vs tors. theta energy: -14.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -98.217827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.217827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.217827 (E_RNA)
where:
Base-Base interactions energy: -40.156
where: short stacking energy: -39.983
Base-Backbone interact. energy: -0.087
local terms energy: -57.974387
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -7.660
tors. eta vs tors. theta energy: -6.542
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: 5
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -91.304318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.304318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.304318 (E_RNA)
where:
Base-Base interactions energy: -31.127
where: short stacking energy: -29.900
Base-Backbone interact. energy: -0.198
local terms energy: -59.978850
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -18.205
flat angles C4'-P-C4' energy: -9.838
flat angles P-C4'-P energy: -11.777
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: 9, replica: 7
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -85.879850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.879850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.879850 (E_RNA)
where:
Base-Base interactions energy: -42.733
where: short stacking energy: -20.019
Base-Backbone interact. energy: -0.397
local terms energy: -42.750149
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -12.549
flat angles C4'-P-C4' energy: -9.200
flat angles P-C4'-P energy: -10.728
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: 10, replica: 3
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -76.705373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.705373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.705373 (E_RNA)
where:
Base-Base interactions energy: -24.154
where: short stacking energy: -24.154
Base-Backbone interact. energy: -0.113
local terms energy: -52.438794
where:
bonds (distance) C4'-P energy: -14.644
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -11.930
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: -2.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -218.019297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.019297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.019297 (E_RNA)
where:
Base-Base interactions energy: -144.518
where: short stacking energy: -64.179
Base-Backbone interact. energy: -0.158
local terms energy: -73.343550
where:
bonds (distance) C4'-P energy: -17.348
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -9.851
tors. eta vs tors. theta energy: -15.773
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: 6
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -215.954186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.954186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.954186 (E_RNA)
where:
Base-Base interactions energy: -152.606
where: short stacking energy: -64.474
Base-Backbone interact. energy: -0.147
local terms energy: -63.201330
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -12.735
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -14.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -208.399346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.399346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.399346 (E_RNA)
where:
Base-Base interactions energy: -129.362
where: short stacking energy: -68.901
Base-Backbone interact. energy: -0.058
local terms energy: -78.979674
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -17.995
flat angles P-C4'-P energy: -9.488
tors. eta vs tors. theta energy: -18.666
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: 4, replica: 4
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -218.617609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.617609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.617609 (E_RNA)
where:
Base-Base interactions energy: -140.746
where: short stacking energy: -64.726
Base-Backbone interact. energy: -0.046
local terms energy: -77.825211
where:
bonds (distance) C4'-P energy: -15.488
bonds (distance) P-C4' energy: -14.929
flat angles C4'-P-C4' energy: -16.292
flat angles P-C4'-P energy: -12.874
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: 5, replica: 2
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -190.402345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.402345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.402345 (E_RNA)
where:
Base-Base interactions energy: -120.947
where: short stacking energy: -60.171
Base-Backbone interact. energy: -0.454
local terms energy: -69.000665
where:
bonds (distance) C4'-P energy: -15.423
bonds (distance) P-C4' energy: -12.888
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -15.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -184.634625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.634625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.634625 (E_RNA)
where:
Base-Base interactions energy: -121.906
where: short stacking energy: -57.250
Base-Backbone interact. energy: -0.643
local terms energy: -62.085340
where:
bonds (distance) C4'-P energy: -12.616
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -15.654
flat angles P-C4'-P energy: -6.773
tors. eta vs tors. theta energy: -12.869
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: 5
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -91.671847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.671847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.671847 (E_RNA)
where:
Base-Base interactions energy: -44.155
where: short stacking energy: -18.763
Base-Backbone interact. energy: -0.367
local terms energy: -47.148987
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -13.355
flat angles C4'-P-C4' energy: -6.240
flat angles P-C4'-P energy: -12.007
tors. eta vs tors. theta energy: -2.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -84.672993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.672993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.672993 (E_RNA)
where:
Base-Base interactions energy: -35.583
where: short stacking energy: -28.876
Base-Backbone interact. energy: -0.440
local terms energy: -48.649716
where:
bonds (distance) C4'-P energy: -10.845
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -6.681
tors. eta vs tors. theta energy: -2.499
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: 170
Temperature: 1.300000
Total energy: -94.622977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.622977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.622977 (E_RNA)
where:
Base-Base interactions energy: -34.962
where: short stacking energy: -30.043
Base-Backbone interact. energy: -0.011
local terms energy: -59.650610
where:
bonds (distance) C4'-P energy: -10.110
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -13.506
flat angles P-C4'-P energy: -12.415
tors. eta vs tors. theta energy: -8.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -73.325694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.325694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.325694 (E_RNA)
where:
Base-Base interactions energy: -29.263
where: short stacking energy: -19.259
Base-Backbone interact. energy: -0.899
local terms energy: -43.164374
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -9.970
flat angles C4'-P-C4' energy: -9.507
flat angles P-C4'-P energy: -8.233
tors. eta vs tors. theta energy: -0.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -213.602484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.602484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.602484 (E_RNA)
where:
Base-Base interactions energy: -139.640
where: short stacking energy: -72.568
Base-Backbone interact. energy: -0.063
local terms energy: -73.899333
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -13.662
flat angles P-C4'-P energy: -9.800
tors. eta vs tors. theta energy: -21.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -213.537567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.537567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.537567 (E_RNA)
where:
Base-Base interactions energy: -134.805
where: short stacking energy: -71.038
Base-Backbone interact. energy: -0.001
local terms energy: -78.730910
where:
bonds (distance) C4'-P energy: -17.232
bonds (distance) P-C4' energy: -13.721
flat angles C4'-P-C4' energy: -15.077
flat angles P-C4'-P energy: -11.441
tors. eta vs tors. theta energy: -21.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -213.814790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.814790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.814790 (E_RNA)
where:
Base-Base interactions energy: -144.330
where: short stacking energy: -59.343
Base-Backbone interact. energy: -0.480
local terms energy: -69.004154
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -13.665
flat angles C4'-P-C4' energy: -13.285
flat angles P-C4'-P energy: -11.357
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: 4, replica: 4
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -213.027952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.027952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.027952 (E_RNA)
where:
Base-Base interactions energy: -138.011
where: short stacking energy: -72.063
Base-Backbone interact. energy: -0.424
local terms energy: -74.593494
where:
bonds (distance) C4'-P energy: -10.054
bonds (distance) P-C4' energy: -14.421
flat angles C4'-P-C4' energy: -16.424
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -22.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -193.551034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.551034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.551034 (E_RNA)
where:
Base-Base interactions energy: -124.434
where: short stacking energy: -52.779
Base-Backbone interact. energy: -0.719
local terms energy: -68.398598
where:
bonds (distance) C4'-P energy: -11.458
bonds (distance) P-C4' energy: -15.846
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -10.578
tors. eta vs tors. theta energy: -15.438
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: 6, replica: 8
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -177.689727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.689727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.689727 (E_RNA)
where:
Base-Base interactions energy: -106.778
where: short stacking energy: -50.434
Base-Backbone interact. energy: -0.105
local terms energy: -70.807040
where:
bonds (distance) C4'-P energy: -15.768
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -17.731
flat angles P-C4'-P energy: -7.983
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: 5
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -90.430638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.430638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.430638 (E_RNA)
where:
Base-Base interactions energy: -40.251
where: short stacking energy: -40.251
Base-Backbone interact. energy: -0.517
local terms energy: -49.662099
where:
bonds (distance) C4'-P energy: -7.823
bonds (distance) P-C4' energy: -14.908
flat angles C4'-P-C4' energy: -12.122
flat angles P-C4'-P energy: -6.797
tors. eta vs tors. theta energy: -8.012
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: 9
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -91.854185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.854185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.854185 (E_RNA)
where:
Base-Base interactions energy: -35.121
where: short stacking energy: -23.264
Base-Backbone interact. energy: -0.157
local terms energy: -56.575661
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -11.962
flat angles C4'-P-C4' energy: -12.039
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -6.002
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: 3
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -76.130542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.130542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.130542 (E_RNA)
where:
Base-Base interactions energy: -22.583
where: short stacking energy: -22.583
Base-Backbone interact. energy: 0.027
local terms energy: -53.574765
where:
bonds (distance) C4'-P energy: -7.798
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -10.405
flat angles P-C4'-P energy: -9.944
tors. eta vs tors. theta energy: -9.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -72.970207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.970207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.970207 (E_RNA)
where:
Base-Base interactions energy: -21.545
where: short stacking energy: -21.111
Base-Backbone interact. energy: -0.100
local terms energy: -51.325156
where:
bonds (distance) C4'-P energy: -12.805
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -16.055
flat angles P-C4'-P energy: -10.485
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: 1, replica: 1
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -205.999398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.999398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.999398 (E_RNA)
where:
Base-Base interactions energy: -130.854
where: short stacking energy: -65.872
Base-Backbone interact. energy: -0.123
local terms energy: -75.022328
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -16.083
flat angles P-C4'-P energy: -8.641
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: 2, replica: 10
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -222.519680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.519680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.519680 (E_RNA)
where:
Base-Base interactions energy: -141.580
where: short stacking energy: -68.628
Base-Backbone interact. energy: -0.561
local terms energy: -80.379433
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -17.350
flat angles P-C4'-P energy: -9.958
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: 3, replica: 4
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -216.157217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.157217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.157217 (E_RNA)
where:
Base-Base interactions energy: -138.446
where: short stacking energy: -66.165
Base-Backbone interact. energy: 0.515
local terms energy: -78.225786
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -12.538
flat angles C4'-P-C4' energy: -18.091
flat angles P-C4'-P energy: -12.782
tors. eta vs tors. theta energy: -20.409
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: 6
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -205.257067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.257067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.257067 (E_RNA)
where:
Base-Base interactions energy: -132.105
where: short stacking energy: -57.833
Base-Backbone interact. energy: -0.008
local terms energy: -73.145033
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -15.729
flat angles C4'-P-C4' energy: -16.292
flat angles P-C4'-P energy: -8.792
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: 5, replica: 8
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -171.199749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.199749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.199749 (E_RNA)
where:
Base-Base interactions energy: -107.315
where: short stacking energy: -49.016
Base-Backbone interact. energy: -0.608
local terms energy: -63.276961
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -17.177
flat angles C4'-P-C4' energy: -11.627
flat angles P-C4'-P energy: -10.973
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: 6, replica: 2
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -183.734331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.734331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.734331 (E_RNA)
where:
Base-Base interactions energy: -118.767
where: short stacking energy: -58.497
Base-Backbone interact. energy: -0.199
local terms energy: -64.767912
where:
bonds (distance) C4'-P energy: -16.815
bonds (distance) P-C4' energy: -12.526
flat angles C4'-P-C4' energy: -12.808
flat angles P-C4'-P energy: -9.802
tors. eta vs tors. theta energy: -12.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -94.954397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.954397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.954397 (E_RNA)
where:
Base-Base interactions energy: -43.523
where: short stacking energy: -43.523
Base-Backbone interact. energy: -0.054
local terms energy: -51.377733
where:
bonds (distance) C4'-P energy: -15.284
bonds (distance) P-C4' energy: -12.708
flat angles C4'-P-C4' energy: -16.233
flat angles P-C4'-P energy: -1.320
tors. eta vs tors. theta energy: -5.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -75.843584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.843584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.843584 (E_RNA)
where:
Base-Base interactions energy: -26.753
where: short stacking energy: -21.898
Base-Backbone interact. energy: -0.339
local terms energy: -48.751600
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -13.435
flat angles C4'-P-C4' energy: -15.619
flat angles P-C4'-P energy: -5.144
tors. eta vs tors. theta energy: -1.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -81.978094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.978094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.978094 (E_RNA)
where:
Base-Base interactions energy: -26.621
where: short stacking energy: -26.390
Base-Backbone interact. energy: -0.075
local terms energy: -55.282331
where:
bonds (distance) C4'-P energy: -12.125
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -14.586
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -1.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -81.046027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.046027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.046027 (E_RNA)
where:
Base-Base interactions energy: -35.735
where: short stacking energy: -29.622
Base-Backbone interact. energy: -0.607
local terms energy: -44.704017
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -6.929
flat angles P-C4'-P energy: -6.461
tors. eta vs tors. theta energy: -1.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -215.134091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.134091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.134091 (E_RNA)
where:
Base-Base interactions energy: -135.948
where: short stacking energy: -59.090
Base-Backbone interact. energy: 0.436
local terms energy: -79.622320
where:
bonds (distance) C4'-P energy: -16.242
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -16.728
flat angles P-C4'-P energy: -10.021
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: 2, replica: 4
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -219.012236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.012236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.012236 (E_RNA)
where:
Base-Base interactions energy: -143.316
where: short stacking energy: -75.727
Base-Backbone interact. energy: -0.031
local terms energy: -75.665964
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -15.477
flat angles P-C4'-P energy: -10.744
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: 3, replica: 10
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -214.140168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.140168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.140168 (E_RNA)
where:
Base-Base interactions energy: -140.747
where: short stacking energy: -68.475
Base-Backbone interact. energy: -0.625
local terms energy: -72.767652
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -15.074
flat angles C4'-P-C4' energy: -15.612
flat angles P-C4'-P energy: -9.367
tors. eta vs tors. theta energy: -20.700
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: 6
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -202.394026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.394026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.394026 (E_RNA)
where:
Base-Base interactions energy: -135.544
where: short stacking energy: -68.853
Base-Backbone interact. energy: -0.077
local terms energy: -66.772944
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -6.626
tors. eta vs tors. theta energy: -15.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -175.694104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.694104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.694104 (E_RNA)
where:
Base-Base interactions energy: -104.963
where: short stacking energy: -50.222
Base-Backbone interact. energy: -0.078
local terms energy: -70.652800
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -16.648
flat angles C4'-P-C4' energy: -13.964
flat angles P-C4'-P energy: -10.925
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: 6, replica: 2
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -181.819037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.819037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.819037 (E_RNA)
where:
Base-Base interactions energy: -118.081
where: short stacking energy: -61.080
Base-Backbone interact. energy: -2.272
local terms energy: -61.466714
where:
bonds (distance) C4'-P energy: -8.456
bonds (distance) P-C4' energy: -10.750
flat angles C4'-P-C4' energy: -15.973
flat angles P-C4'-P energy: -10.666
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: 7, replica: 9
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -96.640619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.640619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.640619 (E_RNA)
where:
Base-Base interactions energy: -43.889
where: short stacking energy: -43.889
Base-Backbone interact. energy: -0.022
local terms energy: -52.729487
where:
bonds (distance) C4'-P energy: -9.175
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -10.098
flat angles P-C4'-P energy: -5.414
tors. eta vs tors. theta energy: -11.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -98.877345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.877345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.877345 (E_RNA)
where:
Base-Base interactions energy: -41.751
where: short stacking energy: -33.307
Base-Backbone interact. energy: -0.078
local terms energy: -57.049114
where:
bonds (distance) C4'-P energy: -7.458
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -15.335
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -8.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -87.267171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.267171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.267171 (E_RNA)
where:
Base-Base interactions energy: -37.273
where: short stacking energy: -35.723
Base-Backbone interact. energy: -0.007
local terms energy: -49.986697
where:
bonds (distance) C4'-P energy: -9.123
bonds (distance) P-C4' energy: -13.372
flat angles C4'-P-C4' energy: -11.110
flat angles P-C4'-P energy: -5.806
tors. eta vs tors. theta energy: -10.576
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: 3
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -86.425121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.425121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.425121 (E_RNA)
where:
Base-Base interactions energy: -33.324
where: short stacking energy: -31.918
Base-Backbone interact. energy: -0.284
local terms energy: -52.817957
where:
bonds (distance) C4'-P energy: -13.819
bonds (distance) P-C4' energy: -10.969
flat angles C4'-P-C4' energy: -12.145
flat angles P-C4'-P energy: -12.788
tors. eta vs tors. theta energy: -3.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -216.864238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.864238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.864238 (E_RNA)
where:
Base-Base interactions energy: -140.983
where: short stacking energy: -76.176
Base-Backbone interact. energy: -0.377
local terms energy: -75.503997
where:
bonds (distance) C4'-P energy: -16.508
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -15.459
flat angles P-C4'-P energy: -10.409
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: 2, replica: 1
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -212.071240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.071240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.071240 (E_RNA)
where:
Base-Base interactions energy: -138.666
where: short stacking energy: -65.826
Base-Backbone interact. energy: -0.027
local terms energy: -73.378140
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -16.848
flat angles P-C4'-P energy: -10.226
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: 3, replica: 6
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -210.389852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.389852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.389852 (E_RNA)
where:
Base-Base interactions energy: -139.630
where: short stacking energy: -72.962
Base-Backbone interact. energy: -0.006
local terms energy: -70.754285
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -12.258
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -11.609
tors. eta vs tors. theta energy: -18.471
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: 10
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -210.493207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.493207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.493207 (E_RNA)
where:
Base-Base interactions energy: -133.584
where: short stacking energy: -65.290
Base-Backbone interact. energy: -0.029
local terms energy: -76.880316
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -16.723
flat angles P-C4'-P energy: -11.828
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: 5, replica: 2
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -210.362821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.362821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.362821 (E_RNA)
where:
Base-Base interactions energy: -132.379
where: short stacking energy: -68.691
Base-Backbone interact. energy: -0.519
local terms energy: -77.464827
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -12.292
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -13.992
tors. eta vs tors. theta energy: -19.996
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: 6, replica: 8
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -184.053314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.053314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.053314 (E_RNA)
where:
Base-Base interactions energy: -113.975
where: short stacking energy: -55.403
Base-Backbone interact. energy: 1.538
local terms energy: -71.616754
where:
bonds (distance) C4'-P energy: -15.635
bonds (distance) P-C4' energy: -15.390
flat angles C4'-P-C4' energy: -18.152
flat angles P-C4'-P energy: -9.495
tors. eta vs tors. theta energy: -12.946
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: 7
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -96.954416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.954416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.954416 (E_RNA)
where:
Base-Base interactions energy: -37.007
where: short stacking energy: -32.917
Base-Backbone interact. energy: -0.059
local terms energy: -59.888950
where:
bonds (distance) C4'-P energy: -9.821
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -13.932
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -8.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -106.789530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.789530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.789530 (E_RNA)
where:
Base-Base interactions energy: -55.456
where: short stacking energy: -24.367
Base-Backbone interact. energy: -0.276
local terms energy: -51.058037
where:
bonds (distance) C4'-P energy: -9.378
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -10.979
flat angles P-C4'-P energy: -13.600
tors. eta vs tors. theta energy: -1.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -81.501835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.501835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.501835 (E_RNA)
where:
Base-Base interactions energy: -23.797
where: short stacking energy: -21.506
Base-Backbone interact. energy: 1.536
local terms energy: -59.240288
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -14.145
tors. eta vs tors. theta energy: -0.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -84.556210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.556210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.556210 (E_RNA)
where:
Base-Base interactions energy: -38.242
where: short stacking energy: -35.583
Base-Backbone interact. energy: -0.040
local terms energy: -46.274071
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -8.004
flat angles C4'-P-C4' energy: -7.867
flat angles P-C4'-P energy: -10.605
tors. eta vs tors. theta energy: -6.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -217.565497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.565497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.565497 (E_RNA)
where:
Base-Base interactions energy: -139.293
where: short stacking energy: -75.218
Base-Backbone interact. energy: -0.013
local terms energy: -78.258874
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -10.094
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: 2, replica: 6
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -210.095014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.095014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.095014 (E_RNA)
where:
Base-Base interactions energy: -132.311
where: short stacking energy: -61.223
Base-Backbone interact. energy: 0.061
local terms energy: -77.845048
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -17.663
flat angles C4'-P-C4' energy: -16.865
flat angles P-C4'-P energy: -10.665
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: 3, replica: 1
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -208.970530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.970530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.970530 (E_RNA)
where:
Base-Base interactions energy: -133.770
where: short stacking energy: -68.308
Base-Backbone interact. energy: -0.095
local terms energy: -75.105603
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -16.763
flat angles C4'-P-C4' energy: -16.881
flat angles P-C4'-P energy: -8.660
tors. eta vs tors. theta energy: -19.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -205.372389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.372389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.372389 (E_RNA)
where:
Base-Base interactions energy: -133.159
where: short stacking energy: -68.942
Base-Backbone interact. energy: -0.083
local terms energy: -72.129438
where:
bonds (distance) C4'-P energy: -11.585
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -21.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -200.948300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.948300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.948300 (E_RNA)
where:
Base-Base interactions energy: -130.549
where: short stacking energy: -68.952
Base-Backbone interact. energy: -0.055
local terms energy: -70.344301
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -15.223
flat angles P-C4'-P energy: -10.460
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: 8
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -189.892494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.892494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.892494 (E_RNA)
where:
Base-Base interactions energy: -125.162
where: short stacking energy: -61.379
Base-Backbone interact. energy: 0.318
local terms energy: -65.048727
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -9.199
flat angles C4'-P-C4' energy: -11.477
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: -19.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -88.745464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.745464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.745464 (E_RNA)
where:
Base-Base interactions energy: -38.621
where: short stacking energy: -23.599
Base-Backbone interact. energy: -0.160
local terms energy: -49.964488
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -14.085
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -5.291
tors. eta vs tors. theta energy: -1.818
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: 5
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -79.735304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.735304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.735304 (E_RNA)
where:
Base-Base interactions energy: -30.146
where: short stacking energy: -28.816
Base-Backbone interact. energy: -0.083
local terms energy: -49.506012
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -13.744
flat angles C4'-P-C4' energy: -7.180
flat angles P-C4'-P energy: -8.300
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: 9, replica: 9
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -113.420888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.420888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.420888 (E_RNA)
where:
Base-Base interactions energy: -66.122
where: short stacking energy: -37.411
Base-Backbone interact. energy: -0.258
local terms energy: -47.040943
where:
bonds (distance) C4'-P energy: -9.541
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -10.528
flat angles P-C4'-P energy: -6.287
tors. eta vs tors. theta energy: -6.917
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: 3
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -77.405654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.405654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.405654 (E_RNA)
where:
Base-Base interactions energy: -28.712
where: short stacking energy: -28.712
Base-Backbone interact. energy: -0.029
local terms energy: -48.664044
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -13.568
flat angles C4'-P-C4' energy: -11.347
flat angles P-C4'-P energy: -8.943
tors. eta vs tors. theta energy: -2.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -219.299487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.299487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.299487 (E_RNA)
where:
Base-Base interactions energy: -135.031
where: short stacking energy: -73.743
Base-Backbone interact. energy: 0.007
local terms energy: -84.275848
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -14.686
flat angles C4'-P-C4' energy: -18.314
flat angles P-C4'-P energy: -12.403
tors. eta vs tors. theta energy: -23.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -212.363861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.363861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.363861 (E_RNA)
where:
Base-Base interactions energy: -140.704
where: short stacking energy: -48.795
Base-Backbone interact. energy: -0.182
local terms energy: -71.477689
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -15.826
flat angles C4'-P-C4' energy: -14.932
flat angles P-C4'-P energy: -12.804
tors. eta vs tors. theta energy: -14.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -205.621409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.621409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.621409 (E_RNA)
where:
Base-Base interactions energy: -132.221
where: short stacking energy: -63.288
Base-Backbone interact. energy: 0.574
local terms energy: -73.974935
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -17.669
flat angles C4'-P-C4' energy: -16.593
flat angles P-C4'-P energy: -8.628
tors. eta vs tors. theta energy: -16.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -197.374446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.374446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.374446 (E_RNA)
where:
Base-Base interactions energy: -121.560
where: short stacking energy: -60.323
Base-Backbone interact. energy: -0.685
local terms energy: -75.130337
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -13.034
flat angles C4'-P-C4' energy: -16.139
flat angles P-C4'-P energy: -12.915
tors. eta vs tors. theta energy: -18.261
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: 5, replica: 8
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -185.614380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.614380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.614380 (E_RNA)
where:
Base-Base interactions energy: -115.157
where: short stacking energy: -56.161
Base-Backbone interact. energy: -1.016
local terms energy: -69.440808
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -11.911
flat angles P-C4'-P energy: -9.908
tors. eta vs tors. theta energy: -15.649
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: 2
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -179.986475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.986475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.986475 (E_RNA)
where:
Base-Base interactions energy: -112.184
where: short stacking energy: -58.138
Base-Backbone interact. energy: -0.006
local terms energy: -67.796350
where:
bonds (distance) C4'-P energy: -13.903
bonds (distance) P-C4' energy: -17.918
flat angles C4'-P-C4' energy: -11.552
flat angles P-C4'-P energy: -9.851
tors. eta vs tors. theta energy: -14.572
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: 176
Temperature: 1.200000
Total energy: -89.175222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.175222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.175222 (E_RNA)
where:
Base-Base interactions energy: -43.237
where: short stacking energy: -36.375
Base-Backbone interact. energy: -0.125
local terms energy: -45.813197
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -12.811
flat angles C4'-P-C4' energy: -9.176
flat angles P-C4'-P energy: -5.767
tors. eta vs tors. theta energy: -5.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -93.597034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.597034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.597034 (E_RNA)
where:
Base-Base interactions energy: -53.180
where: short stacking energy: -20.713
Base-Backbone interact. energy: -0.211
local terms energy: -40.206479
where:
bonds (distance) C4'-P energy: -12.074
bonds (distance) P-C4' energy: -10.981
flat angles C4'-P-C4' energy: -12.106
flat angles P-C4'-P energy: -2.555
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: 9, replica: 9
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -115.909361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.909361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.909361 (E_RNA)
where:
Base-Base interactions energy: -62.458
where: short stacking energy: -29.281
Base-Backbone interact. energy: -0.908
local terms energy: -52.543587
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -11.623
flat angles P-C4'-P energy: -7.074
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: 3
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -80.771280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.771280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.771280 (E_RNA)
where:
Base-Base interactions energy: -38.053
where: short stacking energy: -17.278
Base-Backbone interact. energy: -0.231
local terms energy: -42.487539
where:
bonds (distance) C4'-P energy: -13.704
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -7.456
flat angles P-C4'-P energy: -6.445
tors. eta vs tors. theta energy: 1.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -219.501552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.501552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.501552 (E_RNA)
where:
Base-Base interactions energy: -141.013
where: short stacking energy: -68.846
Base-Backbone interact. energy: -0.034
local terms energy: -78.454874
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -15.776
flat angles C4'-P-C4' energy: -15.442
flat angles P-C4'-P energy: -12.042
tors. eta vs tors. theta energy: -21.651
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: 6
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -212.274412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.274412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.274412 (E_RNA)
where:
Base-Base interactions energy: -131.634
where: short stacking energy: -65.147
Base-Backbone interact. energy: -0.012
local terms energy: -80.628528
where:
bonds (distance) C4'-P energy: -15.716
bonds (distance) P-C4' energy: -15.133
flat angles C4'-P-C4' energy: -16.167
flat angles P-C4'-P energy: -11.470
tors. eta vs tors. theta energy: -22.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -209.100694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.100694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.100694 (E_RNA)
where:
Base-Base interactions energy: -133.848
where: short stacking energy: -57.818
Base-Backbone interact. energy: -0.240
local terms energy: -75.012222
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -16.974
flat angles P-C4'-P energy: -11.153
tors. eta vs tors. theta energy: -17.360
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: 10
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -186.851428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.851428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.851428 (E_RNA)
where:
Base-Base interactions energy: -117.340
where: short stacking energy: -60.049
Base-Backbone interact. energy: -0.120
local terms energy: -69.391157
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -15.058
flat angles C4'-P-C4' energy: -12.504
flat angles P-C4'-P energy: -11.459
tors. eta vs tors. theta energy: -15.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -178.569964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.569964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.569964 (E_RNA)
where:
Base-Base interactions energy: -114.025
where: short stacking energy: -58.193
Base-Backbone interact. energy: -0.017
local terms energy: -64.528230
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -16.463
flat angles C4'-P-C4' energy: -11.238
flat angles P-C4'-P energy: -4.907
tors. eta vs tors. theta energy: -16.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -82.949884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.949884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.949884 (E_RNA)
where:
Base-Base interactions energy: -27.486
where: short stacking energy: -27.486
Base-Backbone interact. energy: -0.083
local terms energy: -55.380582
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -12.140
flat angles C4'-P-C4' energy: -13.357
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -3.373
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: 177
Temperature: 1.200000
Total energy: -179.436210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.436210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.436210 (E_RNA)
where:
Base-Base interactions energy: -110.613
where: short stacking energy: -48.593
Base-Backbone interact. energy: -0.078
local terms energy: -68.744408
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -6.611
tors. eta vs tors. theta energy: -16.616
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: 7
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -87.567391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.567391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.567391 (E_RNA)
where:
Base-Base interactions energy: -41.092
where: short stacking energy: -27.603
Base-Backbone interact. energy: 0.461
local terms energy: -46.936559
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -11.286
flat angles C4'-P-C4' energy: -6.896
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: -1.508
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: 9
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -83.521511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.521511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.521511 (E_RNA)
where:
Base-Base interactions energy: -27.943
where: short stacking energy: -23.140
Base-Backbone interact. energy: 0.742
local terms energy: -56.320555
where:
bonds (distance) C4'-P energy: -13.444
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -11.702
flat angles P-C4'-P energy: -10.684
tors. eta vs tors. theta energy: -3.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -80.600704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.600704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.600704 (E_RNA)
where:
Base-Base interactions energy: -38.488
where: short stacking energy: -30.247
Base-Backbone interact. energy: -0.151
local terms energy: -41.961595
where:
bonds (distance) C4'-P energy: -5.376
bonds (distance) P-C4' energy: -11.099
flat angles C4'-P-C4' energy: -10.481
flat angles P-C4'-P energy: -7.673
tors. eta vs tors. theta energy: -7.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -218.689427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.689427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.689427 (E_RNA)
where:
Base-Base interactions energy: -142.400
where: short stacking energy: -72.356
Base-Backbone interact. energy: -0.049
local terms energy: -76.240599
where:
bonds (distance) C4'-P energy: -15.689
bonds (distance) P-C4' energy: -14.286
flat angles C4'-P-C4' energy: -13.733
flat angles P-C4'-P energy: -10.302
tors. eta vs tors. theta energy: -22.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -211.405245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.405245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.405245 (E_RNA)
where:
Base-Base interactions energy: -134.726
where: short stacking energy: -71.399
Base-Backbone interact. energy: -0.002
local terms energy: -76.677607
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -14.880
flat angles P-C4'-P energy: -9.119
tors. eta vs tors. theta energy: -22.011
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: 10
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -203.164735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.164735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.164735 (E_RNA)
where:
Base-Base interactions energy: -128.263
where: short stacking energy: -64.114
Base-Backbone interact. energy: -0.029
local terms energy: -74.872360
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -16.367
flat angles P-C4'-P energy: -8.446
tors. eta vs tors. theta energy: -17.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -219.174406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.174406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.174406 (E_RNA)
where:
Base-Base interactions energy: -148.671
where: short stacking energy: -62.728
Base-Backbone interact. energy: -0.148
local terms energy: -70.355573
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -15.210
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -5.357
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: 5, replica: 8
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -171.171831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.171831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.171831 (E_RNA)
where:
Base-Base interactions energy: -107.292
where: short stacking energy: -53.688
Base-Backbone interact. energy: -0.400
local terms energy: -63.479936
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -13.579
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: -11.951
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: 6, replica: 5
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -103.868178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.868178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.868178 (E_RNA)
where:
Base-Base interactions energy: -44.286
where: short stacking energy: -44.286
Base-Backbone interact. energy: -0.096
local terms energy: -59.486672
where:
bonds (distance) C4'-P energy: -10.286
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -14.461
flat angles P-C4'-P energy: -9.823
tors. eta vs tors. theta energy: -10.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -169.950689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.950689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.950689 (E_RNA)
where:
Base-Base interactions energy: -108.085
where: short stacking energy: -53.804
Base-Backbone interact. energy: -0.106
local terms energy: -61.759293
where:
bonds (distance) C4'-P energy: -14.307
bonds (distance) P-C4' energy: -13.616
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: -10.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -92.054157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.054157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.054157 (E_RNA)
where:
Base-Base interactions energy: -43.506
where: short stacking energy: -34.028
Base-Backbone interact. energy: -0.319
local terms energy: -48.229285
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -12.487
flat angles C4'-P-C4' energy: -8.569
flat angles P-C4'-P energy: -8.792
tors. eta vs tors. theta energy: -5.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -91.350629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.350629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.350629 (E_RNA)
where:
Base-Base interactions energy: -42.541
where: short stacking energy: -27.835
Base-Backbone interact. energy: -0.226
local terms energy: -48.584454
where:
bonds (distance) C4'-P energy: -7.439
bonds (distance) P-C4' energy: -14.431
flat angles C4'-P-C4' energy: -11.597
flat angles P-C4'-P energy: -8.677
tors. eta vs tors. theta energy: -6.442
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: 10, replica: 3
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -67.587663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.587663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.587663 (E_RNA)
where:
Base-Base interactions energy: -19.310
where: short stacking energy: -19.286
Base-Backbone interact. energy: -0.202
local terms energy: -48.075112
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -11.937
flat angles C4'-P-C4' energy: -14.839
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: 2.033
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: 1, replica: 6
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -223.918436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.918436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.918436 (E_RNA)
where:
Base-Base interactions energy: -145.285
where: short stacking energy: -68.891
Base-Backbone interact. energy: -0.184
local terms energy: -78.449362
where:
bonds (distance) C4'-P energy: -13.046
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -18.135
flat angles P-C4'-P energy: -12.895
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: 2, replica: 4
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -210.572420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.572420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.572420 (E_RNA)
where:
Base-Base interactions energy: -134.279
where: short stacking energy: -67.477
Base-Backbone interact. energy: -0.017
local terms energy: -76.276807
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -18.164
flat angles P-C4'-P energy: -11.285
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: 3, replica: 10
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -203.243624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.243624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.243624 (E_RNA)
where:
Base-Base interactions energy: -131.637
where: short stacking energy: -64.029
Base-Backbone interact. energy: -0.163
local terms energy: -71.444214
where:
bonds (distance) C4'-P energy: -11.291
bonds (distance) P-C4' energy: -14.503
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -9.882
tors. eta vs tors. theta energy: -21.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -181.898863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.898863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.898863 (E_RNA)
where:
Base-Base interactions energy: -119.340
where: short stacking energy: -58.651
Base-Backbone interact. energy: -0.300
local terms energy: -62.259559
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -11.681
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: -10.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -192.332409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.332409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.332409 (E_RNA)
where:
Base-Base interactions energy: -131.240
where: short stacking energy: -62.824
Base-Backbone interact. energy: -0.115
local terms energy: -60.976867
where:
bonds (distance) C4'-P energy: -13.067
bonds (distance) P-C4' energy: -11.587
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -5.092
tors. eta vs tors. theta energy: -16.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -191.709571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.709571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.709571 (E_RNA)
where:
Base-Base interactions energy: -126.607
where: short stacking energy: -66.146
Base-Backbone interact. energy: -0.000
local terms energy: -65.101639
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -12.480
flat angles C4'-P-C4' energy: -12.263
flat angles P-C4'-P energy: -8.094
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: 7, replica: 5
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -84.957226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.957226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.957226 (E_RNA)
where:
Base-Base interactions energy: -35.076
where: short stacking energy: -34.808
Base-Backbone interact. energy: -0.108
local terms energy: -49.773748
where:
bonds (distance) C4'-P energy: -10.121
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -14.093
flat angles P-C4'-P energy: -4.805
tors. eta vs tors. theta energy: -4.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -85.911802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.911802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.911802 (E_RNA)
where:
Base-Base interactions energy: -28.989
where: short stacking energy: -25.742
Base-Backbone interact. energy: -0.397
local terms energy: -56.526340
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -11.205
flat angles P-C4'-P energy: -10.147
tors. eta vs tors. theta energy: -1.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -85.101655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.101655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.101655 (E_RNA)
where:
Base-Base interactions energy: -34.049
where: short stacking energy: -33.053
Base-Backbone interact. energy: -0.016
local terms energy: -51.036594
where:
bonds (distance) C4'-P energy: -11.752
bonds (distance) P-C4' energy: -13.291
flat angles C4'-P-C4' energy: -13.132
flat angles P-C4'-P energy: -10.278
tors. eta vs tors. theta energy: -2.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -81.136733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.136733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.136733 (E_RNA)
where:
Base-Base interactions energy: -28.140
where: short stacking energy: -28.503
Base-Backbone interact. energy: -0.245
local terms energy: -52.751613
where:
bonds (distance) C4'-P energy: -16.674
bonds (distance) P-C4' energy: -12.579
flat angles C4'-P-C4' energy: -12.254
flat angles P-C4'-P energy: -6.166
tors. eta vs tors. theta energy: -5.079
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: 6
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -226.316331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.316331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.316331 (E_RNA)
where:
Base-Base interactions energy: -149.691
where: short stacking energy: -73.571
Base-Backbone interact. energy: 1.592
local terms energy: -78.217320
where:
bonds (distance) C4'-P energy: -10.310
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -18.245
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: -21.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -213.341606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.341606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.341606 (E_RNA)
where:
Base-Base interactions energy: -145.646
where: short stacking energy: -75.711
Base-Backbone interact. energy: -0.005
local terms energy: -67.690596
where:
bonds (distance) C4'-P energy: -9.139
bonds (distance) P-C4' energy: -12.598
flat angles C4'-P-C4' energy: -17.141
flat angles P-C4'-P energy: -10.977
tors. eta vs tors. theta energy: -17.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -194.106051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.106051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.106051 (E_RNA)
where:
Base-Base interactions energy: -124.697
where: short stacking energy: -60.613
Base-Backbone interact. energy: -0.016
local terms energy: -69.393193
where:
bonds (distance) C4'-P energy: -13.718
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -16.327
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -14.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -185.621784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.621784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.621784 (E_RNA)
where:
Base-Base interactions energy: -119.683
where: short stacking energy: -56.269
Base-Backbone interact. energy: -0.397
local terms energy: -65.541714
where:
bonds (distance) C4'-P energy: -12.868
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -7.544
tors. eta vs tors. theta energy: -14.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -175.920779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.920779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.920779 (E_RNA)
where:
Base-Base interactions energy: -124.189
where: short stacking energy: -44.961
Base-Backbone interact. energy: -0.578
local terms energy: -51.153948
where:
bonds (distance) C4'-P energy: -8.431
bonds (distance) P-C4' energy: -17.778
flat angles C4'-P-C4' energy: -14.260
flat angles P-C4'-P energy: -5.827
tors. eta vs tors. theta energy: -4.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -204.221686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.221686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.221686 (E_RNA)
where:
Base-Base interactions energy: -130.705
where: short stacking energy: -70.364
Base-Backbone interact. energy: -0.051
local terms energy: -73.465865
where:
bonds (distance) C4'-P energy: -10.116
bonds (distance) P-C4' energy: -12.520
flat angles C4'-P-C4' energy: -15.802
flat angles P-C4'-P energy: -11.340
tors. eta vs tors. theta energy: -23.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -88.315361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.315361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.315361 (E_RNA)
where:
Base-Base interactions energy: -35.119
where: short stacking energy: -31.712
Base-Backbone interact. energy: -0.281
local terms energy: -52.915077
where:
bonds (distance) C4'-P energy: -10.252
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -10.188
flat angles P-C4'-P energy: -9.687
tors. eta vs tors. theta energy: -6.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -99.485216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.485216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.485216 (E_RNA)
where:
Base-Base interactions energy: -44.551
where: short stacking energy: -38.812
Base-Backbone interact. energy: -0.234
local terms energy: -54.700299
where:
bonds (distance) C4'-P energy: -14.155
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -9.815
flat angles P-C4'-P energy: -10.491
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: 9, replica: 3
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -87.696154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.696154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.696154 (E_RNA)
where:
Base-Base interactions energy: -39.053
where: short stacking energy: -23.549
Base-Backbone interact. energy: -0.093
local terms energy: -48.550026
where:
bonds (distance) C4'-P energy: -10.588
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -14.011
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: 0.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -79.572736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.572736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.572736 (E_RNA)
where:
Base-Base interactions energy: -29.499
where: short stacking energy: -29.499
Base-Backbone interact. energy: -0.189
local terms energy: -49.885412
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -10.425
flat angles C4'-P-C4' energy: -9.280
flat angles P-C4'-P energy: -10.658
tors. eta vs tors. theta energy: -6.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -222.847905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.847905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.847905 (E_RNA)
where:
Base-Base interactions energy: -145.324
where: short stacking energy: -75.112
Base-Backbone interact. energy: -0.109
local terms energy: -77.414710
where:
bonds (distance) C4'-P energy: -13.094
bonds (distance) P-C4' energy: -15.581
flat angles C4'-P-C4' energy: -17.039
flat angles P-C4'-P energy: -11.507
tors. eta vs tors. theta energy: -20.193
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: 4
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -218.344572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.344572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.344572 (E_RNA)
where:
Base-Base interactions energy: -142.379
where: short stacking energy: -72.426
Base-Backbone interact. energy: -0.009
local terms energy: -75.956655
where:
bonds (distance) C4'-P energy: -8.643
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -13.190
tors. eta vs tors. theta energy: -22.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -205.250895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.250895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.250895 (E_RNA)
where:
Base-Base interactions energy: -129.775
where: short stacking energy: -65.027
Base-Backbone interact. energy: -0.291
local terms energy: -75.184404
where:
bonds (distance) C4'-P energy: -14.378
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -13.007
flat angles P-C4'-P energy: -11.065
tors. eta vs tors. theta energy: -21.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -176.709426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.709426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.709426 (E_RNA)
where:
Base-Base interactions energy: -118.222
where: short stacking energy: -48.886
Base-Backbone interact. energy: -1.994
local terms energy: -56.492949
where:
bonds (distance) C4'-P energy: -13.754
bonds (distance) P-C4' energy: -11.956
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: -7.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -201.096608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.096608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.096608 (E_RNA)
where:
Base-Base interactions energy: -124.671
where: short stacking energy: -62.985
Base-Backbone interact. energy: -0.002
local terms energy: -76.423111
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -12.462
flat angles C4'-P-C4' energy: -15.663
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -22.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -188.612116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.612116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.612116 (E_RNA)
where:
Base-Base interactions energy: -129.153
where: short stacking energy: -58.455
Base-Backbone interact. energy: -0.105
local terms energy: -59.354273
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -7.034
flat angles C4'-P-C4' energy: -13.331
flat angles P-C4'-P energy: -10.039
tors. eta vs tors. theta energy: -16.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -90.840428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.840428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.840428 (E_RNA)
where:
Base-Base interactions energy: -33.821
where: short stacking energy: -32.409
Base-Backbone interact. energy: -0.320
local terms energy: -56.698953
where:
bonds (distance) C4'-P energy: -10.956
bonds (distance) P-C4' energy: -15.162
flat angles C4'-P-C4' energy: -17.705
flat angles P-C4'-P energy: -5.080
tors. eta vs tors. theta energy: -7.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -86.320228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.320228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.320228 (E_RNA)
where:
Base-Base interactions energy: -35.213
where: short stacking energy: -28.712
Base-Backbone interact. energy: -0.150
local terms energy: -50.956718
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -12.998
flat angles C4'-P-C4' energy: -11.239
flat angles P-C4'-P energy: -11.448
tors. eta vs tors. theta energy: -2.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -81.417780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.417780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.417780 (E_RNA)
where:
Base-Base interactions energy: -29.938
where: short stacking energy: -30.138
Base-Backbone interact. energy: -0.193
local terms energy: -51.287143
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -12.655
flat angles P-C4'-P energy: -4.883
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: 10, replica: 9
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -75.127609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.127609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.127609 (E_RNA)
where:
Base-Base interactions energy: -21.981
where: short stacking energy: -21.225
Base-Backbone interact. energy: -0.733
local terms energy: -52.414222
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -16.331
flat angles C4'-P-C4' energy: -9.705
flat angles P-C4'-P energy: -7.525
tors. eta vs tors. theta energy: -4.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -209.372426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.372426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.372426 (E_RNA)
where:
Base-Base interactions energy: -133.798
where: short stacking energy: -66.510
Base-Backbone interact. energy: 0.471
local terms energy: -76.045369
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -17.118
flat angles P-C4'-P energy: -10.069
tors. eta vs tors. theta energy: -15.485
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: 4
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -209.517626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.517626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.517626 (E_RNA)
where:
Base-Base interactions energy: -132.830
where: short stacking energy: -65.922
Base-Backbone interact. energy: -0.123
local terms energy: -76.564250
where:
bonds (distance) C4'-P energy: -15.860
bonds (distance) P-C4' energy: -14.702
flat angles C4'-P-C4' energy: -16.862
flat angles P-C4'-P energy: -8.729
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: 2
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -202.127130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.127130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.127130 (E_RNA)
where:
Base-Base interactions energy: -131.513
where: short stacking energy: -55.299
Base-Backbone interact. energy: -1.236
local terms energy: -69.378781
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -15.588
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -16.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -194.547699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.547699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.547699 (E_RNA)
where:
Base-Base interactions energy: -129.291
where: short stacking energy: -65.605
Base-Backbone interact. energy: -0.026
local terms energy: -65.230739
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -11.369
flat angles C4'-P-C4' energy: -11.482
flat angles P-C4'-P energy: -7.198
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: 8
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -167.091048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.091048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.091048 (E_RNA)
where:
Base-Base interactions energy: -101.441
where: short stacking energy: -59.092
Base-Backbone interact. energy: -0.285
local terms energy: -65.365660
where:
bonds (distance) C4'-P energy: -9.353
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -13.193
flat angles P-C4'-P energy: -7.517
tors. eta vs tors. theta energy: -18.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -195.892783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.892783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.892783 (E_RNA)
where:
Base-Base interactions energy: -126.466
where: short stacking energy: -61.755
Base-Backbone interact. energy: -0.007
local terms energy: -69.419725
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -7.293
tors. eta vs tors. theta energy: -18.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -132.481371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.481371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.481371 (E_RNA)
where:
Base-Base interactions energy: -68.059
where: short stacking energy: -39.437
Base-Backbone interact. energy: -0.016
local terms energy: -64.407070
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -14.285
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -10.531
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: 5
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -78.907417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.907417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.907417 (E_RNA)
where:
Base-Base interactions energy: -32.201
where: short stacking energy: -32.201
Base-Backbone interact. energy: -0.190
local terms energy: -46.516429
where:
bonds (distance) C4'-P energy: -10.717
bonds (distance) P-C4' energy: -11.535
flat angles C4'-P-C4' energy: -11.124
flat angles P-C4'-P energy: -8.726
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: 9, replica: 9
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -86.321893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.321893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.321893 (E_RNA)
where:
Base-Base interactions energy: -33.636
where: short stacking energy: -30.124
Base-Backbone interact. energy: 0.104
local terms energy: -52.790419
where:
bonds (distance) C4'-P energy: -13.902
bonds (distance) P-C4' energy: -17.151
flat angles C4'-P-C4' energy: -8.557
flat angles P-C4'-P energy: -6.820
tors. eta vs tors. theta energy: -6.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -75.670156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.670156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.670156 (E_RNA)
where:
Base-Base interactions energy: -31.847
where: short stacking energy: -31.847
Base-Backbone interact. energy: 0.650
local terms energy: -44.473602
where:
bonds (distance) C4'-P energy: -11.478
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -7.815
flat angles P-C4'-P energy: -6.150
tors. eta vs tors. theta energy: -3.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -201.698458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.698458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.698458 (E_RNA)
where:
Base-Base interactions energy: -128.935
where: short stacking energy: -66.184
Base-Backbone interact. energy: 0.129
local terms energy: -72.892619
where:
bonds (distance) C4'-P energy: -18.921
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -11.671
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -16.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -212.995425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.995425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.995425 (E_RNA)
where:
Base-Base interactions energy: -135.604
where: short stacking energy: -70.537
Base-Backbone interact. energy: -0.882
local terms energy: -76.509056
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -17.198
flat angles C4'-P-C4' energy: -17.003
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: -20.978
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: 2
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -207.081328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.081328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.081328 (E_RNA)
where:
Base-Base interactions energy: -130.477
where: short stacking energy: -69.800
Base-Backbone interact. energy: -0.004
local terms energy: -76.600990
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -12.285
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: 4, replica: 10
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -192.555922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.555922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.555922 (E_RNA)
where:
Base-Base interactions energy: -129.670
where: short stacking energy: -55.851
Base-Backbone interact. energy: 0.660
local terms energy: -63.545195
where:
bonds (distance) C4'-P energy: -10.760
bonds (distance) P-C4' energy: -15.643
flat angles C4'-P-C4' energy: -11.342
flat angles P-C4'-P energy: -10.257
tors. eta vs tors. theta energy: -15.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -142.458630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.458630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.458630 (E_RNA)
where:
Base-Base interactions energy: -83.341
where: short stacking energy: -42.252
Base-Backbone interact. energy: -0.114
local terms energy: -59.004481
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -13.333
flat angles P-C4'-P energy: -11.784
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: 6, replica: 1
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -178.430890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.430890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.430890 (E_RNA)
where:
Base-Base interactions energy: -113.231
where: short stacking energy: -53.330
Base-Backbone interact. energy: -0.464
local terms energy: -64.736222
where:
bonds (distance) C4'-P energy: -9.669
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -16.282
flat angles P-C4'-P energy: -10.212
tors. eta vs tors. theta energy: -12.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -124.954995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.954995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.954995 (E_RNA)
where:
Base-Base interactions energy: -64.349
where: short stacking energy: -35.666
Base-Backbone interact. energy: -0.087
local terms energy: -60.518193
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -12.665
flat angles P-C4'-P energy: -10.617
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: 8, replica: 9
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -95.757438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.757438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.757438 (E_RNA)
where:
Base-Base interactions energy: -55.695
where: short stacking energy: -30.724
Base-Backbone interact. energy: -0.581
local terms energy: -39.481480
where:
bonds (distance) C4'-P energy: -7.926
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -9.636
flat angles P-C4'-P energy: -6.854
tors. eta vs tors. theta energy: -0.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -77.520499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.520499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.520499 (E_RNA)
where:
Base-Base interactions energy: -30.379
where: short stacking energy: -30.379
Base-Backbone interact. energy: -0.029
local terms energy: -47.111997
where:
bonds (distance) C4'-P energy: -9.698
bonds (distance) P-C4' energy: -11.054
flat angles C4'-P-C4' energy: -10.409
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: -6.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -71.817514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.817514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.817514 (E_RNA)
where:
Base-Base interactions energy: -24.758
where: short stacking energy: -23.834
Base-Backbone interact. energy: -0.050
local terms energy: -47.009493
where:
bonds (distance) C4'-P energy: -10.671
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -9.680
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: 1.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -216.388547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.388547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.388547 (E_RNA)
where:
Base-Base interactions energy: -138.297
where: short stacking energy: -71.148
Base-Backbone interact. energy: -0.056
local terms energy: -78.035092
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -13.201
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: 2, replica: 6
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -214.297953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.297953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.297953 (E_RNA)
where:
Base-Base interactions energy: -134.199
where: short stacking energy: -68.209
Base-Backbone interact. energy: -0.638
local terms energy: -79.461316
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -15.574
flat angles C4'-P-C4' energy: -14.738
flat angles P-C4'-P energy: -11.895
tors. eta vs tors. theta energy: -21.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -202.176761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.176761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.176761 (E_RNA)
where:
Base-Base interactions energy: -127.337
where: short stacking energy: -57.277
Base-Backbone interact. energy: 0.159
local terms energy: -74.998128
where:
bonds (distance) C4'-P energy: -16.596
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -14.067
flat angles P-C4'-P energy: -12.012
tors. eta vs tors. theta energy: -16.015
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: 2
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -190.325692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.325692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.325692 (E_RNA)
where:
Base-Base interactions energy: -129.202
where: short stacking energy: -58.389
Base-Backbone interact. energy: 0.406
local terms energy: -61.529199
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -14.083
flat angles C4'-P-C4' energy: -11.234
flat angles P-C4'-P energy: -9.110
tors. eta vs tors. theta energy: -12.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -178.569500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.569500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.569500 (E_RNA)
where:
Base-Base interactions energy: -110.476
where: short stacking energy: -56.417
Base-Backbone interact. energy: -0.012
local terms energy: -68.081215
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -17.649
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -6.942
tors. eta vs tors. theta energy: -13.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -152.157276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.157276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.157276 (E_RNA)
where:
Base-Base interactions energy: -94.367
where: short stacking energy: -51.690
Base-Backbone interact. energy: -0.118
local terms energy: -57.671997
where:
bonds (distance) C4'-P energy: -13.214
bonds (distance) P-C4' energy: -12.224
flat angles C4'-P-C4' energy: -10.048
flat angles P-C4'-P energy: -11.979
tors. eta vs tors. theta energy: -10.206
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: 7, replica: 9
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -95.685182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.685182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.685182 (E_RNA)
where:
Base-Base interactions energy: -46.454
where: short stacking energy: -32.838
Base-Backbone interact. energy: 0.190
local terms energy: -49.421896
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -11.761
flat angles P-C4'-P energy: -7.992
tors. eta vs tors. theta energy: -2.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -91.879245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.879245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.879245 (E_RNA)
where:
Base-Base interactions energy: -39.638
where: short stacking energy: -40.662
Base-Backbone interact. energy: -0.358
local terms energy: -51.882771
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -12.975
flat angles C4'-P-C4' energy: -10.472
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: -5.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -90.368612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.368612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.368612 (E_RNA)
where:
Base-Base interactions energy: -33.528
where: short stacking energy: -33.528
Base-Backbone interact. energy: -0.220
local terms energy: -56.620658
where:
bonds (distance) C4'-P energy: -13.067
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -9.983
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -6.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -82.234644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.234644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.234644 (E_RNA)
where:
Base-Base interactions energy: -35.199
where: short stacking energy: -35.176
Base-Backbone interact. energy: -0.039
local terms energy: -46.996200
where:
bonds (distance) C4'-P energy: -6.598
bonds (distance) P-C4' energy: -9.845
flat angles C4'-P-C4' energy: -15.758
flat angles P-C4'-P energy: -5.923
tors. eta vs tors. theta energy: -8.871
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: 1, replica: 4
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -226.384433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.384433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.384433 (E_RNA)
where:
Base-Base interactions energy: -146.596
where: short stacking energy: -71.323
Base-Backbone interact. energy: -0.017
local terms energy: -79.771160
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -12.716
flat angles P-C4'-P energy: -11.490
tors. eta vs tors. theta energy: -22.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -215.749517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.749517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.749517 (E_RNA)
where:
Base-Base interactions energy: -144.326
where: short stacking energy: -66.925
Base-Backbone interact. energy: -0.252
local terms energy: -71.171210
where:
bonds (distance) C4'-P energy: -9.208
bonds (distance) P-C4' energy: -15.779
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -8.834
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: 3, replica: 10
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -203.883876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.883876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.883876 (E_RNA)
where:
Base-Base interactions energy: -133.243
where: short stacking energy: -62.423
Base-Backbone interact. energy: -0.735
local terms energy: -69.904989
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -12.077
flat angles P-C4'-P energy: -10.799
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: 4, replica: 1
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -208.678281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.678281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.678281 (E_RNA)
where:
Base-Base interactions energy: -134.940
where: short stacking energy: -67.797
Base-Backbone interact. energy: -0.024
local terms energy: -73.714793
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -15.011
flat angles C4'-P-C4' energy: -14.497
flat angles P-C4'-P energy: -9.466
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: 5, replica: 2
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -179.100299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.100299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.100299 (E_RNA)
where:
Base-Base interactions energy: -120.938
where: short stacking energy: -53.273
Base-Backbone interact. energy: -1.128
local terms energy: -57.033757
where:
bonds (distance) C4'-P energy: -10.655
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -14.577
flat angles P-C4'-P energy: -7.666
tors. eta vs tors. theta energy: -9.632
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: 8
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -139.733320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.733320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.733320 (E_RNA)
where:
Base-Base interactions energy: -79.329
where: short stacking energy: -50.035
Base-Backbone interact. energy: -0.121
local terms energy: -60.283801
where:
bonds (distance) C4'-P energy: -12.340
bonds (distance) P-C4' energy: -13.391
flat angles C4'-P-C4' energy: -13.862
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: -10.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -102.853174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.853174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.853174 (E_RNA)
where:
Base-Base interactions energy: -50.864
where: short stacking energy: -50.864
Base-Backbone interact. energy: -0.001
local terms energy: -51.987730
where:
bonds (distance) C4'-P energy: -10.000
bonds (distance) P-C4' energy: -12.529
flat angles C4'-P-C4' energy: -14.432
flat angles P-C4'-P energy: -5.799
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: 8, replica: 7
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -87.173330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.173330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.173330 (E_RNA)
where:
Base-Base interactions energy: -35.101
where: short stacking energy: -31.225
Base-Backbone interact. energy: -0.665
local terms energy: -51.407249
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -13.612
flat angles P-C4'-P energy: -6.264
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: 3
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -87.537749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.537749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.537749 (E_RNA)
where:
Base-Base interactions energy: -46.074
where: short stacking energy: -36.093
Base-Backbone interact. energy: -0.271
local terms energy: -41.192332
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -10.327
flat angles C4'-P-C4' energy: -8.091
flat angles P-C4'-P energy: -3.613
tors. eta vs tors. theta energy: -4.896
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: 5
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -81.702687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.702687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.702687 (E_RNA)
where:
Base-Base interactions energy: -35.529
where: short stacking energy: -22.299
Base-Backbone interact. energy: -0.033
local terms energy: -46.140613
where:
bonds (distance) C4'-P energy: -15.037
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: 0.693
tors. eta vs tors. theta energy: -4.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -222.763617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.763617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.763617 (E_RNA)
where:
Base-Base interactions energy: -143.933
where: short stacking energy: -75.152
Base-Backbone interact. energy: -0.454
local terms energy: -78.375993
where:
bonds (distance) C4'-P energy: -11.739
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -17.649
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -22.873
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: 186
Temperature: 0.950000
Total energy: -216.589433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.589433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.589433 (E_RNA)
where:
Base-Base interactions energy: -142.627
where: short stacking energy: -77.541
Base-Backbone interact. energy: -0.303
local terms energy: -73.659411
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -11.312
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -10.358
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: 1
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -211.156506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.156506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.156506 (E_RNA)
where:
Base-Base interactions energy: -132.480
where: short stacking energy: -66.447
Base-Backbone interact. energy: -0.032
local terms energy: -78.644346
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -13.912
flat angles P-C4'-P energy: -12.303
tors. eta vs tors. theta energy: -21.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -202.375389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.375389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.375389 (E_RNA)
where:
Base-Base interactions energy: -134.769
where: short stacking energy: -60.779
Base-Backbone interact. energy: -0.695
local terms energy: -66.910462
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -14.370
flat angles P-C4'-P energy: -9.362
tors. eta vs tors. theta energy: -13.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -187.515013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.515013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.515013 (E_RNA)
where:
Base-Base interactions energy: -121.765
where: short stacking energy: -55.480
Base-Backbone interact. energy: -0.109
local terms energy: -65.641429
where:
bonds (distance) C4'-P energy: -11.179
bonds (distance) P-C4' energy: -14.950
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -7.475
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: 6, replica: 8
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -129.674882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.674882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.674882 (E_RNA)
where:
Base-Base interactions energy: -69.908
where: short stacking energy: -34.193
Base-Backbone interact. energy: -0.174
local terms energy: -59.592889
where:
bonds (distance) C4'-P energy: -16.185
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -12.769
flat angles P-C4'-P energy: -9.541
tors. eta vs tors. theta energy: -4.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -82.224296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.224296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.224296 (E_RNA)
where:
Base-Base interactions energy: -38.494
where: short stacking energy: -20.799
Base-Backbone interact. energy: 2.084
local terms energy: -45.814516
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -9.985
flat angles C4'-P-C4' energy: -12.210
flat angles P-C4'-P energy: -10.942
tors. eta vs tors. theta energy: 2.643
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: 9
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -91.766355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.766355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.766355 (E_RNA)
where:
Base-Base interactions energy: -32.766
where: short stacking energy: -32.726
Base-Backbone interact. energy: -0.008
local terms energy: -58.992097
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -15.101
flat angles C4'-P-C4' energy: -12.982
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: -7.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -86.753359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.753359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.753359 (E_RNA)
where:
Base-Base interactions energy: -34.122
where: short stacking energy: -24.956
Base-Backbone interact. energy: -0.066
local terms energy: -52.565776
where:
bonds (distance) C4'-P energy: -17.369
bonds (distance) P-C4' energy: -8.447
flat angles C4'-P-C4' energy: -13.574
flat angles P-C4'-P energy: -6.913
tors. eta vs tors. theta energy: -6.262
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: 10, replica: 5
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -84.863687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.863687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.863687 (E_RNA)
where:
Base-Base interactions energy: -30.962
where: short stacking energy: -24.438
Base-Backbone interact. energy: 0.081
local terms energy: -53.983310
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -13.330
flat angles P-C4'-P energy: -6.877
tors. eta vs tors. theta energy: -2.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -219.329044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.329044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.329044 (E_RNA)
where:
Base-Base interactions energy: -141.398
where: short stacking energy: -67.409
Base-Backbone interact. energy: -0.213
local terms energy: -77.717268
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -16.137
flat angles P-C4'-P energy: -11.519
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: 2, replica: 4
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -216.661957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.661957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.661957 (E_RNA)
where:
Base-Base interactions energy: -138.175
where: short stacking energy: -74.363
Base-Backbone interact. energy: -0.002
local terms energy: -78.485358
where:
bonds (distance) C4'-P energy: -11.412
bonds (distance) P-C4' energy: -15.618
flat angles C4'-P-C4' energy: -17.740
flat angles P-C4'-P energy: -13.004
tors. eta vs tors. theta energy: -20.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -218.701440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.701440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.701440 (E_RNA)
where:
Base-Base interactions energy: -138.463
where: short stacking energy: -70.477
Base-Backbone interact. energy: -0.457
local terms energy: -79.781528
where:
bonds (distance) C4'-P energy: -14.385
bonds (distance) P-C4' energy: -14.637
flat angles C4'-P-C4' energy: -16.439
flat angles P-C4'-P energy: -13.633
tors. eta vs tors. theta energy: -20.688
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: 4, replica: 10
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -198.764006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.764006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.764006 (E_RNA)
where:
Base-Base interactions energy: -123.386
where: short stacking energy: -62.917
Base-Backbone interact. energy: -0.592
local terms energy: -74.786542
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -15.284
flat angles C4'-P-C4' energy: -17.933
flat angles P-C4'-P energy: -11.325
tors. eta vs tors. theta energy: -15.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -193.499959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.499959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.499959 (E_RNA)
where:
Base-Base interactions energy: -126.419
where: short stacking energy: -54.629
Base-Backbone interact. energy: -0.056
local terms energy: -67.024193
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -8.214
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: 7
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -80.636958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.636958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.636958 (E_RNA)
where:
Base-Base interactions energy: -25.561
where: short stacking energy: -25.561
Base-Backbone interact. energy: -0.385
local terms energy: -54.691028
where:
bonds (distance) C4'-P energy: -12.531
bonds (distance) P-C4' energy: -14.155
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -9.570
tors. eta vs tors. theta energy: -4.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -137.212175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.212175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.212175 (E_RNA)
where:
Base-Base interactions energy: -81.407
where: short stacking energy: -45.279
Base-Backbone interact. energy: -0.296
local terms energy: -55.508613
where:
bonds (distance) C4'-P energy: -9.887
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -12.749
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -8.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -104.388044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.388044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.388044 (E_RNA)
where:
Base-Base interactions energy: -54.047
where: short stacking energy: -24.087
Base-Backbone interact. energy: -0.207
local terms energy: -50.133978
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -13.172
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -5.923
tors. eta vs tors. theta energy: -4.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -75.901516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.901516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.901516 (E_RNA)
where:
Base-Base interactions energy: -31.934
where: short stacking energy: -19.518
Base-Backbone interact. energy: -0.200
local terms energy: -43.767832
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -6.398
flat angles P-C4'-P energy: -2.352
tors. eta vs tors. theta energy: -4.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -77.741040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.741040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.741040 (E_RNA)
where:
Base-Base interactions energy: -36.140
where: short stacking energy: -30.605
Base-Backbone interact. energy: 2.463
local terms energy: -44.064059
where:
bonds (distance) C4'-P energy: -8.131
bonds (distance) P-C4' energy: -9.777
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -8.064
tors. eta vs tors. theta energy: -3.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -225.202519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.202519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.202519 (E_RNA)
where:
Base-Base interactions energy: -148.146
where: short stacking energy: -76.441
Base-Backbone interact. energy: 1.333
local terms energy: -78.388926
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -17.371
flat angles C4'-P-C4' energy: -16.671
flat angles P-C4'-P energy: -11.319
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: 2, replica: 6
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -215.620259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.620259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.620259 (E_RNA)
where:
Base-Base interactions energy: -143.232
where: short stacking energy: -72.322
Base-Backbone interact. energy: -0.075
local terms energy: -72.312872
where:
bonds (distance) C4'-P energy: -11.774
bonds (distance) P-C4' energy: -12.859
flat angles C4'-P-C4' energy: -16.510
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: -20.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -196.731725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.731725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.731725 (E_RNA)
where:
Base-Base interactions energy: -130.348
where: short stacking energy: -56.936
Base-Backbone interact. energy: -0.079
local terms energy: -66.304879
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -12.932
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -7.484
tors. eta vs tors. theta energy: -19.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -212.638195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.638195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.638195 (E_RNA)
where:
Base-Base interactions energy: -138.645
where: short stacking energy: -66.402
Base-Backbone interact. energy: 0.461
local terms energy: -74.454807
where:
bonds (distance) C4'-P energy: -12.465
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -11.338
tors. eta vs tors. theta energy: -21.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -116.153283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.153283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.153283 (E_RNA)
where:
Base-Base interactions energy: -55.928
where: short stacking energy: -52.305
Base-Backbone interact. energy: -0.090
local terms energy: -60.136096
where:
bonds (distance) C4'-P energy: -13.255
bonds (distance) P-C4' energy: -16.263
flat angles C4'-P-C4' energy: -13.696
flat angles P-C4'-P energy: -8.846
tors. eta vs tors. theta energy: -8.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -193.906551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.906551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.906551 (E_RNA)
where:
Base-Base interactions energy: -122.579
where: short stacking energy: -59.902
Base-Backbone interact. energy: -0.083
local terms energy: -71.244534
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -16.237
flat angles P-C4'-P energy: -6.046
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: 8
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -134.219319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.219319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.219319 (E_RNA)
where:
Base-Base interactions energy: -76.443
where: short stacking energy: -46.754
Base-Backbone interact. energy: -0.120
local terms energy: -57.656241
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -8.781
flat angles P-C4'-P energy: -5.245
tors. eta vs tors. theta energy: -13.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -101.706867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.706867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.706867 (E_RNA)
where:
Base-Base interactions energy: -55.863
where: short stacking energy: -30.025
Base-Backbone interact. energy: -1.031
local terms energy: -44.812331
where:
bonds (distance) C4'-P energy: -11.064
bonds (distance) P-C4' energy: -12.795
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -0.083
tors. eta vs tors. theta energy: -6.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -75.210121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.210121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.210121 (E_RNA)
where:
Base-Base interactions energy: -24.283
where: short stacking energy: -24.283
Base-Backbone interact. energy: -0.018
local terms energy: -50.908376
where:
bonds (distance) C4'-P energy: -17.116
bonds (distance) P-C4' energy: -12.264
flat angles C4'-P-C4' energy: -11.514
flat angles P-C4'-P energy: -7.156
tors. eta vs tors. theta energy: -2.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -79.058073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.058073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.058073 (E_RNA)
where:
Base-Base interactions energy: -35.515
where: short stacking energy: -24.044
Base-Backbone interact. energy: -0.558
local terms energy: -42.984475
where:
bonds (distance) C4'-P energy: -11.557
bonds (distance) P-C4' energy: -13.854
flat angles C4'-P-C4' energy: -11.539
flat angles P-C4'-P energy: -6.277
tors. eta vs tors. theta energy: 0.243
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: 189
Temperature: 0.900000
Total energy: -227.533969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.533969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.533969 (E_RNA)
where:
Base-Base interactions energy: -153.226
where: short stacking energy: -64.368
Base-Backbone interact. energy: -0.029
local terms energy: -74.279726
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -17.491
flat angles P-C4'-P energy: -11.236
tors. eta vs tors. theta energy: -15.232
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: 2, replica: 10
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -216.850871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.850871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.850871 (E_RNA)
where:
Base-Base interactions energy: -146.111
where: short stacking energy: -69.559
Base-Backbone interact. energy: 0.268
local terms energy: -71.008035
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -7.734
tors. eta vs tors. theta energy: -19.311
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: 6
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -208.862479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.862479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.862479 (E_RNA)
where:
Base-Base interactions energy: -134.897
where: short stacking energy: -73.762
Base-Backbone interact. energy: -0.078
local terms energy: -73.886770
where:
bonds (distance) C4'-P energy: -11.360
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -13.537
flat angles P-C4'-P energy: -11.457
tors. eta vs tors. theta energy: -22.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -207.372089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.372089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.372089 (E_RNA)
where:
Base-Base interactions energy: -132.917
where: short stacking energy: -63.537
Base-Backbone interact. energy: -0.010
local terms energy: -74.444847
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -11.650
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -12.591
tors. eta vs tors. theta energy: -21.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -113.803535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.803535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.803535 (E_RNA)
where:
Base-Base interactions energy: -46.511
where: short stacking energy: -42.953
Base-Backbone interact. energy: -0.105
local terms energy: -67.187532
where:
bonds (distance) C4'-P energy: -14.898
bonds (distance) P-C4' energy: -14.379
flat angles C4'-P-C4' energy: -15.336
flat angles P-C4'-P energy: -12.129
tors. eta vs tors. theta energy: -10.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -195.964951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.964951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.964951 (E_RNA)
where:
Base-Base interactions energy: -126.984
where: short stacking energy: -62.403
Base-Backbone interact. energy: -0.571
local terms energy: -68.409873
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -11.550
flat angles C4'-P-C4' energy: -12.235
flat angles P-C4'-P energy: -12.567
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: 7, replica: 8
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -115.947078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.947078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.947078 (E_RNA)
where:
Base-Base interactions energy: -65.097
where: short stacking energy: -36.141
Base-Backbone interact. energy: -0.047
local terms energy: -50.803157
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -13.111
flat angles P-C4'-P energy: -5.479
tors. eta vs tors. theta energy: -2.616
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: 3
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -83.222495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.222495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.222495 (E_RNA)
where:
Base-Base interactions energy: -32.471
where: short stacking energy: -24.266
Base-Backbone interact. energy: -0.173
local terms energy: -50.578179
where:
bonds (distance) C4'-P energy: -13.671
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -7.986
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -2.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -86.586762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.586762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.586762 (E_RNA)
where:
Base-Base interactions energy: -33.729
where: short stacking energy: -33.417
Base-Backbone interact. energy: -0.105
local terms energy: -52.752629
where:
bonds (distance) C4'-P energy: -10.882
bonds (distance) P-C4' energy: -14.574
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -7.364
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: 10, replica: 9
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -89.508744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.508744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.508744 (E_RNA)
where:
Base-Base interactions energy: -34.381
where: short stacking energy: -23.391
Base-Backbone interact. energy: -0.055
local terms energy: -55.072291
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -11.364
flat angles P-C4'-P energy: -4.539
tors. eta vs tors. theta energy: -8.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -215.456963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.456963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.456963 (E_RNA)
where:
Base-Base interactions energy: -134.978
where: short stacking energy: -71.296
Base-Backbone interact. energy: 0.702
local terms energy: -81.181447
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -16.983
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: -22.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -222.589993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.589993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.589993 (E_RNA)
where:
Base-Base interactions energy: -140.338
where: short stacking energy: -68.215
Base-Backbone interact. energy: -0.240
local terms energy: -82.012547
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -17.345
flat angles C4'-P-C4' energy: -17.171
flat angles P-C4'-P energy: -10.399
tors. eta vs tors. theta energy: -22.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -205.729689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.729689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.729689 (E_RNA)
where:
Base-Base interactions energy: -132.795
where: short stacking energy: -68.392
Base-Backbone interact. energy: 0.179
local terms energy: -73.113279
where:
bonds (distance) C4'-P energy: -11.180
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: -14.907
flat angles P-C4'-P energy: -9.150
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: 4, replica: 6
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -194.537136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.537136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.537136 (E_RNA)
where:
Base-Base interactions energy: -123.769
where: short stacking energy: -59.427
Base-Backbone interact. energy: -0.000
local terms energy: -70.768260
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -18.443
flat angles C4'-P-C4' energy: -14.233
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: -14.302
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: 2
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -180.095651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.095651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.095651 (E_RNA)
where:
Base-Base interactions energy: -109.578
where: short stacking energy: -52.799
Base-Backbone interact. energy: -0.056
local terms energy: -70.461111
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -13.382
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: -14.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -107.415317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.415317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.415317 (E_RNA)
where:
Base-Base interactions energy: -56.550
where: short stacking energy: -35.295
Base-Backbone interact. energy: -1.012
local terms energy: -49.852631
where:
bonds (distance) C4'-P energy: -10.500
bonds (distance) P-C4' energy: -17.892
flat angles C4'-P-C4' energy: -13.554
flat angles P-C4'-P energy: -5.074
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: 7, replica: 3
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -79.657124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.657124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.657124 (E_RNA)
where:
Base-Base interactions energy: -31.718
where: short stacking energy: -31.718
Base-Backbone interact. energy: -0.378
local terms energy: -47.561310
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -12.325
flat angles C4'-P-C4' energy: -13.513
flat angles P-C4'-P energy: -8.898
tors. eta vs tors. theta energy: 1.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -101.215910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.215910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.215910 (E_RNA)
where:
Base-Base interactions energy: -55.165
where: short stacking energy: -28.216
Base-Backbone interact. energy: 0.782
local terms energy: -46.832389
where:
bonds (distance) C4'-P energy: -8.456
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -9.573
flat angles P-C4'-P energy: -11.565
tors. eta vs tors. theta energy: -2.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -95.948844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.948844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.948844 (E_RNA)
where:
Base-Base interactions energy: -42.021
where: short stacking energy: -25.483
Base-Backbone interact. energy: -0.408
local terms energy: -53.519082
where:
bonds (distance) C4'-P energy: -14.391
bonds (distance) P-C4' energy: -13.726
flat angles C4'-P-C4' energy: -12.661
flat angles P-C4'-P energy: -10.697
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: 10, replica: 5
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -80.538982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.538982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.538982 (E_RNA)
where:
Base-Base interactions energy: -33.047
where: short stacking energy: -24.951
Base-Backbone interact. energy: 4.626
local terms energy: -52.118572
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -8.176
flat angles P-C4'-P energy: -6.892
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: 1, replica: 10
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -223.830512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.830512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.830512 (E_RNA)
where:
Base-Base interactions energy: -143.753
where: short stacking energy: -74.785
Base-Backbone interact. energy: -0.009
local terms energy: -80.068319
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -21.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -220.156330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.156330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.156330 (E_RNA)
where:
Base-Base interactions energy: -139.003
where: short stacking energy: -75.470
Base-Backbone interact. energy: -0.007
local terms energy: -81.146468
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -15.074
flat angles P-C4'-P energy: -11.216
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: 3, replica: 4
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -218.044812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.044812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.044812 (E_RNA)
where:
Base-Base interactions energy: -135.940
where: short stacking energy: -68.339
Base-Backbone interact. energy: -0.193
local terms energy: -81.912102
where:
bonds (distance) C4'-P energy: -14.153
bonds (distance) P-C4' energy: -16.613
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -12.541
tors. eta vs tors. theta energy: -22.913
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: 6
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -196.551430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.551430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.551430 (E_RNA)
where:
Base-Base interactions energy: -122.673
where: short stacking energy: -62.742
Base-Backbone interact. energy: -0.641
local terms energy: -73.237714
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -13.491
flat angles C4'-P-C4' energy: -15.367
flat angles P-C4'-P energy: -10.076
tors. eta vs tors. theta energy: -19.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -188.074249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.074249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.074249 (E_RNA)
where:
Base-Base interactions energy: -123.827
where: short stacking energy: -63.486
Base-Backbone interact. energy: -0.060
local terms energy: -64.187906
where:
bonds (distance) C4'-P energy: -12.690
bonds (distance) P-C4' energy: -13.099
flat angles C4'-P-C4' energy: -15.196
flat angles P-C4'-P energy: -9.488
tors. eta vs tors. theta energy: -13.715
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: 7
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -107.348950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.348950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.348950 (E_RNA)
where:
Base-Base interactions energy: -54.001
where: short stacking energy: -32.974
Base-Backbone interact. energy: -0.016
local terms energy: -53.331622
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -11.515
flat angles C4'-P-C4' energy: -10.950
flat angles P-C4'-P energy: -6.857
tors. eta vs tors. theta energy: -9.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -105.294285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.294285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.294285 (E_RNA)
where:
Base-Base interactions energy: -45.385
where: short stacking energy: -40.595
Base-Backbone interact. energy: -0.007
local terms energy: -59.902388
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -14.260
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -7.801
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: 8
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -84.299152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.299152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.299152 (E_RNA)
where:
Base-Base interactions energy: -44.566
where: short stacking energy: -28.169
Base-Backbone interact. energy: -0.123
local terms energy: -39.610319
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -10.188
flat angles C4'-P-C4' energy: -7.738
flat angles P-C4'-P energy: -7.036
tors. eta vs tors. theta energy: -0.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -79.758437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.758437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.758437 (E_RNA)
where:
Base-Base interactions energy: -23.743
where: short stacking energy: -23.720
Base-Backbone interact. energy: -0.068
local terms energy: -55.947397
where:
bonds (distance) C4'-P energy: -9.640
bonds (distance) P-C4' energy: -15.884
flat angles C4'-P-C4' energy: -10.780
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -9.523
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: 10, replica: 5
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -74.465759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.465759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.465759 (E_RNA)
where:
Base-Base interactions energy: -29.749
where: short stacking energy: -29.749
Base-Backbone interact. energy: -0.099
local terms energy: -44.617137
where:
bonds (distance) C4'-P energy: -11.400
bonds (distance) P-C4' energy: -10.239
flat angles C4'-P-C4' energy: -12.823
flat angles P-C4'-P energy: -4.387
tors. eta vs tors. theta energy: -5.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -223.194061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.194061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.194061 (E_RNA)
where:
Base-Base interactions energy: -145.468
where: short stacking energy: -72.410
Base-Backbone interact. energy: -0.690
local terms energy: -77.036706
where:
bonds (distance) C4'-P energy: -14.216
bonds (distance) P-C4' energy: -10.628
flat angles C4'-P-C4' energy: -16.263
flat angles P-C4'-P energy: -13.901
tors. eta vs tors. theta energy: -22.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -213.509190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.509190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.509190 (E_RNA)
where:
Base-Base interactions energy: -142.251
where: short stacking energy: -72.944
Base-Backbone interact. energy: -0.250
local terms energy: -71.008732
where:
bonds (distance) C4'-P energy: -17.154
bonds (distance) P-C4' energy: -8.487
flat angles C4'-P-C4' energy: -16.521
flat angles P-C4'-P energy: -9.747
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: 3, replica: 6
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -211.845570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.845570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.845570 (E_RNA)
where:
Base-Base interactions energy: -138.585
where: short stacking energy: -65.641
Base-Backbone interact. energy: -0.039
local terms energy: -73.221456
where:
bonds (distance) C4'-P energy: -10.820
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -17.313
flat angles P-C4'-P energy: -10.743
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: 4, replica: 4
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -204.840088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.840088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.840088 (E_RNA)
where:
Base-Base interactions energy: -132.774
where: short stacking energy: -62.434
Base-Backbone interact. energy: -0.096
local terms energy: -71.970311
where:
bonds (distance) C4'-P energy: -11.586
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: -19.265
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: 5, replica: 2
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -207.124899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.124899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.124899 (E_RNA)
where:
Base-Base interactions energy: -132.006
where: short stacking energy: -65.768
Base-Backbone interact. energy: -0.034
local terms energy: -75.085172
where:
bonds (distance) C4'-P energy: -12.320
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -14.235
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: 6, replica: 7
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -109.244863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.244863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.244863 (E_RNA)
where:
Base-Base interactions energy: -46.663
where: short stacking energy: -42.880
Base-Backbone interact. energy: -0.018
local terms energy: -62.564228
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -16.332
flat angles P-C4'-P energy: -9.410
tors. eta vs tors. theta energy: -7.228
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: 7, replica: 8
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -91.402584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.402584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.402584 (E_RNA)
where:
Base-Base interactions energy: -38.547
where: short stacking energy: -33.987
Base-Backbone interact. energy: 0.373
local terms energy: -53.229054
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -11.206
flat angles P-C4'-P energy: -8.355
tors. eta vs tors. theta energy: -5.621
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: 3
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -85.926721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.926721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.926721 (E_RNA)
where:
Base-Base interactions energy: -32.756
where: short stacking energy: -28.354
Base-Backbone interact. energy: -0.037
local terms energy: -53.133090
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -8.420
flat angles P-C4'-P energy: -6.693
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: 9, replica: 5
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -78.788250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.788250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.788250 (E_RNA)
where:
Base-Base interactions energy: -28.660
where: short stacking energy: -25.733
Base-Backbone interact. energy: 2.016
local terms energy: -52.144190
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -9.798
flat angles P-C4'-P energy: -8.378
tors. eta vs tors. theta energy: -6.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -83.784017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.784017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.784017 (E_RNA)
where:
Base-Base interactions energy: -25.019
where: short stacking energy: -24.715
Base-Backbone interact. energy: -0.248
local terms energy: -58.516917
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -14.558
flat angles C4'-P-C4' energy: -15.271
flat angles P-C4'-P energy: -9.307
tors. eta vs tors. theta energy: -4.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -232.556052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.556052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.556052 (E_RNA)
where:
Base-Base interactions energy: -148.987
where: short stacking energy: -72.920
Base-Backbone interact. energy: -0.013
local terms energy: -83.555799
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -15.152
flat angles C4'-P-C4' energy: -17.286
flat angles P-C4'-P energy: -13.072
tors. eta vs tors. theta energy: -20.237
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: 6
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -217.257639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.257639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.257639 (E_RNA)
where:
Base-Base interactions energy: -136.792
where: short stacking energy: -68.186
Base-Backbone interact. energy: -0.829
local terms energy: -79.636133
where:
bonds (distance) C4'-P energy: -17.717
bonds (distance) P-C4' energy: -17.316
flat angles C4'-P-C4' energy: -15.791
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -19.308
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: 1
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -212.747344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.747344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.747344 (E_RNA)
where:
Base-Base interactions energy: -131.815
where: short stacking energy: -75.458
Base-Backbone interact. energy: -0.016
local terms energy: -80.917050
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -11.271
tors. eta vs tors. theta energy: -21.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -206.008908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.008908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.008908 (E_RNA)
where:
Base-Base interactions energy: -138.489
where: short stacking energy: -70.823
Base-Backbone interact. energy: 1.150
local terms energy: -68.670051
where:
bonds (distance) C4'-P energy: -10.141
bonds (distance) P-C4' energy: -13.696
flat angles C4'-P-C4' energy: -14.766
flat angles P-C4'-P energy: -10.885
tors. eta vs tors. theta energy: -19.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -192.606630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.606630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.606630 (E_RNA)
where:
Base-Base interactions energy: -125.648
where: short stacking energy: -64.407
Base-Backbone interact. energy: -0.152
local terms energy: -66.806362
where:
bonds (distance) C4'-P energy: -10.140
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -11.928
flat angles P-C4'-P energy: -10.886
tors. eta vs tors. theta energy: -16.790
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: 6, replica: 8
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -90.237280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.237280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.237280 (E_RNA)
where:
Base-Base interactions energy: -29.809
where: short stacking energy: -28.750
Base-Backbone interact. energy: -0.103
local terms energy: -60.326095
where:
bonds (distance) C4'-P energy: -14.982
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -7.101
tors. eta vs tors. theta energy: -6.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -93.550567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.550567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.550567 (E_RNA)
where:
Base-Base interactions energy: -40.434
where: short stacking energy: -40.434
Base-Backbone interact. energy: -0.003
local terms energy: -53.113507
where:
bonds (distance) C4'-P energy: -12.079
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -10.727
flat angles P-C4'-P energy: -4.717
tors. eta vs tors. theta energy: -8.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -79.904804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.904804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.904804 (E_RNA)
where:
Base-Base interactions energy: -35.757
where: short stacking energy: -23.478
Base-Backbone interact. energy: -0.140
local terms energy: -44.007893
where:
bonds (distance) C4'-P energy: -15.401
bonds (distance) P-C4' energy: -14.795
flat angles C4'-P-C4' energy: -6.690
flat angles P-C4'-P energy: -7.317
tors. eta vs tors. theta energy: 0.195
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: 9, replica: 3
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -78.630896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.630896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.630896 (E_RNA)
where:
Base-Base interactions energy: -30.647
where: short stacking energy: -29.741
Base-Backbone interact. energy: -0.060
local terms energy: -47.924446
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -13.187
flat angles C4'-P-C4' energy: -8.574
flat angles P-C4'-P energy: -5.575
tors. eta vs tors. theta energy: -4.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -77.805912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.805912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.805912 (E_RNA)
where:
Base-Base interactions energy: -26.781
where: short stacking energy: -26.035
Base-Backbone interact. energy: 0.356
local terms energy: -51.380366
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -9.054
flat angles P-C4'-P energy: -9.389
tors. eta vs tors. theta energy: -2.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -222.103464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.103464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.103464 (E_RNA)
where:
Base-Base interactions energy: -140.372
where: short stacking energy: -75.445
Base-Backbone interact. energy: -0.176
local terms energy: -81.555430
where:
bonds (distance) C4'-P energy: -15.549
bonds (distance) P-C4' energy: -19.364
flat angles C4'-P-C4' energy: -15.796
flat angles P-C4'-P energy: -10.331
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: 2, replica: 10
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -216.299717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.299717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.299717 (E_RNA)
where:
Base-Base interactions energy: -141.596
where: short stacking energy: -67.884
Base-Backbone interact. energy: -0.065
local terms energy: -74.639180
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -16.387
flat angles C4'-P-C4' energy: -16.416
flat angles P-C4'-P energy: -10.844
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: 3, replica: 2
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -212.945998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.945998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.945998 (E_RNA)
where:
Base-Base interactions energy: -134.578
where: short stacking energy: -70.919
Base-Backbone interact. energy: -0.054
local terms energy: -78.313601
where:
bonds (distance) C4'-P energy: -12.075
bonds (distance) P-C4' energy: -14.555
flat angles C4'-P-C4' energy: -16.188
flat angles P-C4'-P energy: -11.942
tors. eta vs tors. theta energy: -23.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -202.787196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.787196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.787196 (E_RNA)
where:
Base-Base interactions energy: -136.653
where: short stacking energy: -72.190
Base-Backbone interact. energy: -0.032
local terms energy: -66.102351
where:
bonds (distance) C4'-P energy: -11.412
bonds (distance) P-C4' energy: -14.736
flat angles C4'-P-C4' energy: -8.235
flat angles P-C4'-P energy: -12.103
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: 5, replica: 4
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -185.232313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.232313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.232313 (E_RNA)
where:
Base-Base interactions energy: -120.331
where: short stacking energy: -58.790
Base-Backbone interact. energy: -0.196
local terms energy: -64.705716
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -9.212
flat angles P-C4'-P energy: -11.370
tors. eta vs tors. theta energy: -14.726
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: 8
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -99.110022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.110022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.110022 (E_RNA)
where:
Base-Base interactions energy: -45.908
where: short stacking energy: -40.112
Base-Backbone interact. energy: -0.020
local terms energy: -53.182529
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -12.380
flat angles C4'-P-C4' energy: -11.034
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -8.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -102.843695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.843695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.843695 (E_RNA)
where:
Base-Base interactions energy: -46.376
where: short stacking energy: -37.085
Base-Backbone interact. energy: 4.787
local terms energy: -61.254314
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -12.583
flat angles C4'-P-C4' energy: -16.704
flat angles P-C4'-P energy: -9.596
tors. eta vs tors. theta energy: -8.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -81.714301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.714301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.714301 (E_RNA)
where:
Base-Base interactions energy: -38.754
where: short stacking energy: -24.715
Base-Backbone interact. energy: -0.284
local terms energy: -42.676046
where:
bonds (distance) C4'-P energy: -10.843
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -10.326
flat angles P-C4'-P energy: -8.090
tors. eta vs tors. theta energy: 2.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -93.059869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.059869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.059869 (E_RNA)
where:
Base-Base interactions energy: -35.099
where: short stacking energy: -19.067
Base-Backbone interact. energy: -0.173
local terms energy: -57.787261
where:
bonds (distance) C4'-P energy: -13.305
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -11.289
tors. eta vs tors. theta energy: -2.880
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: 194
Temperature: 1.350000
Total energy: -79.940810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.940810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.940810 (E_RNA)
where:
Base-Base interactions energy: -29.035
where: short stacking energy: -28.212
Base-Backbone interact. energy: -0.092
local terms energy: -50.813389
where:
bonds (distance) C4'-P energy: -10.170
bonds (distance) P-C4' energy: -13.741
flat angles C4'-P-C4' energy: -15.528
flat angles P-C4'-P energy: -8.133
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: 1, replica: 6
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -217.954198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.954198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.954198 (E_RNA)
where:
Base-Base interactions energy: -137.292
where: short stacking energy: -72.106
Base-Backbone interact. energy: -0.021
local terms energy: -80.641053
where:
bonds (distance) C4'-P energy: -16.333
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -18.929
flat angles P-C4'-P energy: -9.599
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: 2, replica: 2
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -218.787627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.787627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.787627 (E_RNA)
where:
Base-Base interactions energy: -141.833
where: short stacking energy: -68.940
Base-Backbone interact. energy: -0.299
local terms energy: -76.655633
where:
bonds (distance) C4'-P energy: -14.980
bonds (distance) P-C4' energy: -16.909
flat angles C4'-P-C4' energy: -12.503
flat angles P-C4'-P energy: -13.767
tors. eta vs tors. theta energy: -18.496
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: 3, replica: 10
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -199.979705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.979705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.979705 (E_RNA)
where:
Base-Base interactions energy: -129.346
where: short stacking energy: -62.382
Base-Backbone interact. energy: -1.512
local terms energy: -69.121046
where:
bonds (distance) C4'-P energy: -11.577
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -16.473
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: -16.106
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: 1
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -208.084813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.084813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.084813 (E_RNA)
where:
Base-Base interactions energy: -131.967
where: short stacking energy: -68.870
Base-Backbone interact. energy: -0.002
local terms energy: -76.115703
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -11.003
flat angles C4'-P-C4' energy: -16.842
flat angles P-C4'-P energy: -11.210
tors. eta vs tors. theta energy: -22.814
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: 4
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -184.843457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.843457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.843457 (E_RNA)
where:
Base-Base interactions energy: -122.316
where: short stacking energy: -48.052
Base-Backbone interact. energy: -0.117
local terms energy: -62.410478
where:
bonds (distance) C4'-P energy: -12.102
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -17.495
flat angles P-C4'-P energy: -7.416
tors. eta vs tors. theta energy: -9.847
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: 7
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -95.125284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.125284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.125284 (E_RNA)
where:
Base-Base interactions energy: -36.042
where: short stacking energy: -36.042
Base-Backbone interact. energy: -0.019
local terms energy: -59.063776
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -17.679
flat angles C4'-P-C4' energy: -12.124
flat angles P-C4'-P energy: -2.896
tors. eta vs tors. theta energy: -9.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -90.992353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.992353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.992353 (E_RNA)
where:
Base-Base interactions energy: -36.524
where: short stacking energy: -21.901
Base-Backbone interact. energy: -0.285
local terms energy: -54.182681
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -14.087
flat angles C4'-P-C4' energy: -13.166
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: -3.931
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: 195
Temperature: 1.250000
Total energy: -92.215528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.215528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.215528 (E_RNA)
where:
Base-Base interactions energy: -33.192
where: short stacking energy: -33.192
Base-Backbone interact. energy: -0.159
local terms energy: -58.864506
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -13.404
flat angles C4'-P-C4' energy: -10.115
flat angles P-C4'-P energy: -13.253
tors. eta vs tors. theta energy: -6.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -85.978654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.978654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.978654 (E_RNA)
where:
Base-Base interactions energy: -40.203
where: short stacking energy: -27.016
Base-Backbone interact. energy: -0.271
local terms energy: -45.504094
where:
bonds (distance) C4'-P energy: -11.688
bonds (distance) P-C4' energy: -10.335
flat angles C4'-P-C4' energy: -12.789
flat angles P-C4'-P energy: -4.197
tors. eta vs tors. theta energy: -6.494
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: 10, replica: 3
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -74.293849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.293849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.293849 (E_RNA)
where:
Base-Base interactions energy: -26.449
where: short stacking energy: -25.426
Base-Backbone interact. energy: -1.448
local terms energy: -46.397444
where:
bonds (distance) C4'-P energy: -10.528
bonds (distance) P-C4' energy: -9.746
flat angles C4'-P-C4' energy: -12.850
flat angles P-C4'-P energy: -9.717
tors. eta vs tors. theta energy: -3.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -222.177723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.177723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.177723 (E_RNA)
where:
Base-Base interactions energy: -144.423
where: short stacking energy: -74.785
Base-Backbone interact. energy: 2.615
local terms energy: -80.370198
where:
bonds (distance) C4'-P energy: -15.839
bonds (distance) P-C4' energy: -11.753
flat angles C4'-P-C4' energy: -18.159
flat angles P-C4'-P energy: -12.957
tors. eta vs tors. theta energy: -21.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -218.921630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.921630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.921630 (E_RNA)
where:
Base-Base interactions energy: -140.973
where: short stacking energy: -73.447
Base-Backbone interact. energy: 0.111
local terms energy: -78.059432
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -15.363
flat angles C4'-P-C4' energy: -18.409
flat angles P-C4'-P energy: -9.381
tors. eta vs tors. theta energy: -22.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -217.645644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.645644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.645644 (E_RNA)
where:
Base-Base interactions energy: -138.027
where: short stacking energy: -67.364
Base-Backbone interact. energy: -0.015
local terms energy: -79.604603
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -17.684
flat angles C4'-P-C4' energy: -16.546
flat angles P-C4'-P energy: -9.089
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: 4, replica: 10
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -195.401081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.401081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.401081 (E_RNA)
where:
Base-Base interactions energy: -125.743
where: short stacking energy: -60.314
Base-Backbone interact. energy: -0.064
local terms energy: -69.594441
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -15.255
flat angles P-C4'-P energy: -5.932
tors. eta vs tors. theta energy: -16.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -193.075875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.075875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.075875 (E_RNA)
where:
Base-Base interactions energy: -124.795
where: short stacking energy: -62.955
Base-Backbone interact. energy: 0.251
local terms energy: -68.531601
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -13.098
flat angles C4'-P-C4' energy: -15.992
flat angles P-C4'-P energy: -7.603
tors. eta vs tors. theta energy: -19.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -96.800350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.800350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.800350 (E_RNA)
where:
Base-Base interactions energy: -33.967
where: short stacking energy: -33.435
Base-Backbone interact. energy: 0.856
local terms energy: -63.689762
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -16.042
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -7.173
tors. eta vs tors. theta energy: -10.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -91.738826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.738826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.738826 (E_RNA)
where:
Base-Base interactions energy: -35.598
where: short stacking energy: -35.598
Base-Backbone interact. energy: -0.235
local terms energy: -55.906343
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -14.035
flat angles C4'-P-C4' energy: -12.416
flat angles P-C4'-P energy: -7.923
tors. eta vs tors. theta energy: -7.685
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: 8
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -87.122306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.122306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.122306 (E_RNA)
where:
Base-Base interactions energy: -45.390
where: short stacking energy: -19.899
Base-Backbone interact. energy: -0.357
local terms energy: -41.375140
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -12.087
flat angles C4'-P-C4' energy: -6.826
flat angles P-C4'-P energy: -4.925
tors. eta vs tors. theta energy: -2.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -76.563617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.563617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.563617 (E_RNA)
where:
Base-Base interactions energy: -33.161
where: short stacking energy: -29.033
Base-Backbone interact. energy: -0.279
local terms energy: -43.124332
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -12.214
flat angles C4'-P-C4' energy: -8.612
flat angles P-C4'-P energy: -5.949
tors. eta vs tors. theta energy: -1.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -76.149463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.149463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.149463 (E_RNA)
where:
Base-Base interactions energy: -29.458
where: short stacking energy: -12.258
Base-Backbone interact. energy: -1.619
local terms energy: -45.072140
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -14.517
flat angles C4'-P-C4' energy: -9.025
flat angles P-C4'-P energy: -4.909
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: 1, replica: 2
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -222.856892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.856892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.856892 (E_RNA)
where:
Base-Base interactions energy: -141.944
where: short stacking energy: -69.509
Base-Backbone interact. energy: -0.077
local terms energy: -80.836169
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -17.566
flat angles P-C4'-P energy: -10.670
tors. eta vs tors. theta energy: -20.777
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: 2, replica: 1
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -213.424022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.424022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.424022 (E_RNA)
where:
Base-Base interactions energy: -138.981
where: short stacking energy: -71.552
Base-Backbone interact. energy: -0.009
local terms energy: -74.434053
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -13.774
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -12.446
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: 3, replica: 6
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -216.666514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.666514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.666514 (E_RNA)
where:
Base-Base interactions energy: -144.765
where: short stacking energy: -73.056
Base-Backbone interact. energy: -0.046
local terms energy: -71.855096
where:
bonds (distance) C4'-P energy: -8.767
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -17.418
flat angles P-C4'-P energy: -9.321
tors. eta vs tors. theta energy: -18.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -187.961574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.961574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.961574 (E_RNA)
where:
Base-Base interactions energy: -120.115
where: short stacking energy: -62.632
Base-Backbone interact. energy: -0.003
local terms energy: -67.842697
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -14.841
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: -16.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -200.303893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.303893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.303893 (E_RNA)
where:
Base-Base interactions energy: -137.068
where: short stacking energy: -68.462
Base-Backbone interact. energy: -0.001
local terms energy: -63.235586
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -10.840
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -3.644
tors. eta vs tors. theta energy: -18.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -109.399160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.399160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.399160 (E_RNA)
where:
Base-Base interactions energy: -61.073
where: short stacking energy: -31.398
Base-Backbone interact. energy: -0.933
local terms energy: -47.393061
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -11.453
flat angles C4'-P-C4' energy: -11.437
flat angles P-C4'-P energy: -6.995
tors. eta vs tors. theta energy: -4.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -94.757506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.757506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.757506 (E_RNA)
where:
Base-Base interactions energy: -38.760
where: short stacking energy: -30.306
Base-Backbone interact. energy: -0.420
local terms energy: -55.577236
where:
bonds (distance) C4'-P energy: -15.214
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -7.119
tors. eta vs tors. theta energy: -3.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -82.524539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.524539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.524539 (E_RNA)
where:
Base-Base interactions energy: -31.431
where: short stacking energy: -31.631
Base-Backbone interact. energy: -0.002
local terms energy: -51.091512
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -11.031
flat angles C4'-P-C4' energy: -12.362
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -4.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -74.907946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.907946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.907946 (E_RNA)
where:
Base-Base interactions energy: -29.948
where: short stacking energy: -18.125
Base-Backbone interact. energy: -2.858
local terms energy: -42.101877
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -12.698
flat angles C4'-P-C4' energy: -11.190
flat angles P-C4'-P energy: -3.982
tors. eta vs tors. theta energy: -0.316
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: 5
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -76.777372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.777372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.777372 (E_RNA)
where:
Base-Base interactions energy: -27.488
where: short stacking energy: -26.930
Base-Backbone interact. energy: -0.570
local terms energy: -48.719703
where:
bonds (distance) C4'-P energy: -9.993
bonds (distance) P-C4' energy: -11.882
flat angles C4'-P-C4' energy: -15.069
flat angles P-C4'-P energy: -9.086
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: 1, replica: 1
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -222.979849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.979849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.979849 (E_RNA)
where:
Base-Base interactions energy: -142.938
where: short stacking energy: -75.335
Base-Backbone interact. energy: -0.003
local terms energy: -80.039499
where:
bonds (distance) C4'-P energy: -14.577
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -11.616
tors. eta vs tors. theta energy: -21.713
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: 2
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -214.989776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.989776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.989776 (E_RNA)
where:
Base-Base interactions energy: -139.709
where: short stacking energy: -75.397
Base-Backbone interact. energy: -0.026
local terms energy: -75.253921
where:
bonds (distance) C4'-P energy: -9.749
bonds (distance) P-C4' energy: -14.957
flat angles C4'-P-C4' energy: -15.825
flat angles P-C4'-P energy: -11.993
tors. eta vs tors. theta energy: -22.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -202.033933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.033933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.033933 (E_RNA)
where:
Base-Base interactions energy: -132.151
where: short stacking energy: -60.042
Base-Backbone interact. energy: -0.090
local terms energy: -69.792248
where:
bonds (distance) C4'-P energy: -14.950
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -13.394
flat angles P-C4'-P energy: -8.993
tors. eta vs tors. theta energy: -14.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -194.795290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.795290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.795290 (E_RNA)
where:
Base-Base interactions energy: -122.764
where: short stacking energy: -60.634
Base-Backbone interact. energy: -0.003
local terms energy: -72.028173
where:
bonds (distance) C4'-P energy: -14.655
bonds (distance) P-C4' energy: -12.456
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -11.362
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: 5, replica: 10
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -203.936388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.936388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.936388 (E_RNA)
where:
Base-Base interactions energy: -133.380
where: short stacking energy: -64.239
Base-Backbone interact. energy: -0.656
local terms energy: -69.899521
where:
bonds (distance) C4'-P energy: -11.316
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: -10.865
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: 6, replica: 7
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -117.302924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.302924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.302924 (E_RNA)
where:
Base-Base interactions energy: -59.522
where: short stacking energy: -28.007
Base-Backbone interact. energy: 0.386
local terms energy: -58.167794
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -15.109
flat angles C4'-P-C4' energy: -14.309
flat angles P-C4'-P energy: -9.234
tors. eta vs tors. theta energy: -3.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -93.982165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.982165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.982165 (E_RNA)
where:
Base-Base interactions energy: -40.177
where: short stacking energy: -34.202
Base-Backbone interact. energy: -0.099
local terms energy: -53.706141
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -6.114
tors. eta vs tors. theta energy: -4.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -86.273661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.273661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.273661 (E_RNA)
where:
Base-Base interactions energy: -37.591
where: short stacking energy: -35.278
Base-Backbone interact. energy: -0.317
local terms energy: -48.365811
where:
bonds (distance) C4'-P energy: -11.834
bonds (distance) P-C4' energy: -15.502
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -3.679
tors. eta vs tors. theta energy: -3.525
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: 5
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -93.360945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.360945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.360945 (E_RNA)
where:
Base-Base interactions energy: -42.835
where: short stacking energy: -20.478
Base-Backbone interact. energy: 3.035
local terms energy: -53.561267
where:
bonds (distance) C4'-P energy: -9.852
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -13.480
flat angles P-C4'-P energy: -8.936
tors. eta vs tors. theta energy: -5.099
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: 3
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -75.703407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.703407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.703407 (E_RNA)
where:
Base-Base interactions energy: -39.394
where: short stacking energy: -24.319
Base-Backbone interact. energy: -0.381
local terms energy: -35.928262
where:
bonds (distance) C4'-P energy: -4.543
bonds (distance) P-C4' energy: -9.822
flat angles C4'-P-C4' energy: -11.005
flat angles P-C4'-P energy: -10.760
tors. eta vs tors. theta energy: 0.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -217.544961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.544961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.544961 (E_RNA)
where:
Base-Base interactions energy: -138.127
where: short stacking energy: -70.522
Base-Backbone interact. energy: -0.244
local terms energy: -79.174825
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -15.839
flat angles P-C4'-P energy: -14.084
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: 2, replica: 4
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -204.824111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.824111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.824111 (E_RNA)
where:
Base-Base interactions energy: -132.564
where: short stacking energy: -64.381
Base-Backbone interact. energy: 0.330
local terms energy: -72.590281
where:
bonds (distance) C4'-P energy: -11.333
bonds (distance) P-C4' energy: -16.060
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -12.179
tors. eta vs tors. theta energy: -17.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -209.694627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.694627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.694627 (E_RNA)
where:
Base-Base interactions energy: -136.874
where: short stacking energy: -61.973
Base-Backbone interact. energy: -0.091
local terms energy: -72.729548
where:
bonds (distance) C4'-P energy: -14.362
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -11.784
tors. eta vs tors. theta energy: -16.615
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: 10
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -199.733428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.733428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.733428 (E_RNA)
where:
Base-Base interactions energy: -125.142
where: short stacking energy: -65.516
Base-Backbone interact. energy: -0.421
local terms energy: -74.170252
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -14.444
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -18.335
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: 6
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -200.527167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.527167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.527167 (E_RNA)
where:
Base-Base interactions energy: -122.172
where: short stacking energy: -62.548
Base-Backbone interact. energy: -0.086
local terms energy: -78.269563
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -13.993
flat angles C4'-P-C4' energy: -17.817
flat angles P-C4'-P energy: -13.329
tors. eta vs tors. theta energy: -19.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -105.428588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.428588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.428588 (E_RNA)
where:
Base-Base interactions energy: -52.527
where: short stacking energy: -52.527
Base-Backbone interact. energy: -0.090
local terms energy: -52.812026
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -12.027
flat angles C4'-P-C4' energy: -16.123
flat angles P-C4'-P energy: -3.388
tors. eta vs tors. theta energy: -6.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -101.360367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.360367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.360367 (E_RNA)
where:
Base-Base interactions energy: -43.411
where: short stacking energy: -24.084
Base-Backbone interact. energy: -0.646
local terms energy: -57.303227
where:
bonds (distance) C4'-P energy: -15.432
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -15.406
flat angles P-C4'-P energy: -5.515
tors. eta vs tors. theta energy: -3.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -80.241233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.241233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.241233 (E_RNA)
where:
Base-Base interactions energy: -26.953
where: short stacking energy: -26.953
Base-Backbone interact. energy: -0.037
local terms energy: -53.251437
where:
bonds (distance) C4'-P energy: -15.895
bonds (distance) P-C4' energy: -18.233
flat angles C4'-P-C4' energy: -10.466
flat angles P-C4'-P energy: -4.865
tors. eta vs tors. theta energy: -3.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -76.469982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.469982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.469982 (E_RNA)
where:
Base-Base interactions energy: -39.604
where: short stacking energy: -11.180
Base-Backbone interact. energy: -0.284
local terms energy: -36.582490
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -2.812
flat angles P-C4'-P energy: -5.103
tors. eta vs tors. theta energy: 1.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -76.345106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.345106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.345106 (E_RNA)
where:
Base-Base interactions energy: -29.953
where: short stacking energy: -26.339
Base-Backbone interact. energy: -0.164
local terms energy: -46.227615
where:
bonds (distance) C4'-P energy: -8.701
bonds (distance) P-C4' energy: -12.134
flat angles C4'-P-C4' energy: -13.606
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: -1.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -202.576597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.576597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.576597 (E_RNA)
where:
Base-Base interactions energy: -134.016
where: short stacking energy: -64.735
Base-Backbone interact. energy: -0.007
local terms energy: -68.554237
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -15.556
flat angles P-C4'-P energy: -9.376
tors. eta vs tors. theta energy: -15.542
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: 2, replica: 1
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -221.708861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.708861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.708861 (E_RNA)
where:
Base-Base interactions energy: -145.859
where: short stacking energy: -73.051
Base-Backbone interact. energy: 0.095
local terms energy: -75.944932
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -17.113
flat angles P-C4'-P energy: -9.819
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: 3, replica: 2
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -216.028005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.028005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.028005 (E_RNA)
where:
Base-Base interactions energy: -137.595
where: short stacking energy: -67.832
Base-Backbone interact. energy: -0.003
local terms energy: -78.430142
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -13.344
flat angles C4'-P-C4' energy: -16.552
flat angles P-C4'-P energy: -12.998
tors. eta vs tors. theta energy: -20.969
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: 10
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -202.820349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.820349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.820349 (E_RNA)
where:
Base-Base interactions energy: -131.507
where: short stacking energy: -68.810
Base-Backbone interact. energy: -0.233
local terms energy: -71.080289
where:
bonds (distance) C4'-P energy: -12.046
bonds (distance) P-C4' energy: -13.076
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -12.984
tors. eta vs tors. theta energy: -18.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -192.424469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.424469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.424469 (E_RNA)
where:
Base-Base interactions energy: -128.798
where: short stacking energy: -50.986
Base-Backbone interact. energy: -0.346
local terms energy: -63.279716
where:
bonds (distance) C4'-P energy: -9.887
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -10.824
tors. eta vs tors. theta energy: -13.709
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: 9
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -96.077389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.077389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.077389 (E_RNA)
where:
Base-Base interactions energy: -38.179
where: short stacking energy: -35.653
Base-Backbone interact. energy: -0.117
local terms energy: -57.781965
where:
bonds (distance) C4'-P energy: -10.605
bonds (distance) P-C4' energy: -15.294
flat angles C4'-P-C4' energy: -11.532
flat angles P-C4'-P energy: -7.256
tors. eta vs tors. theta energy: -13.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -98.642844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.642844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.642844 (E_RNA)
where:
Base-Base interactions energy: -44.796
where: short stacking energy: -30.083
Base-Backbone interact. energy: -0.020
local terms energy: -53.827114
where:
bonds (distance) C4'-P energy: -11.842
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -14.726
flat angles P-C4'-P energy: -6.300
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: 7
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -84.902790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.902790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.902790 (E_RNA)
where:
Base-Base interactions energy: -35.040
where: short stacking energy: -25.672
Base-Backbone interact. energy: -0.233
local terms energy: -49.630268
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -12.060
flat angles P-C4'-P energy: -7.749
tors. eta vs tors. theta energy: -0.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -77.321289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.321289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.321289 (E_RNA)
where:
Base-Base interactions energy: -23.840
where: short stacking energy: -21.865
Base-Backbone interact. energy: -0.881
local terms energy: -52.600730
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -14.431
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -4.511
tors. eta vs tors. theta energy: -3.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -83.969580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.969580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.969580 (E_RNA)
where:
Base-Base interactions energy: -29.105
where: short stacking energy: -24.952
Base-Backbone interact. energy: -0.158
local terms energy: -54.707047
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -14.470
flat angles P-C4'-P energy: -8.070
tors. eta vs tors. theta energy: -3.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -217.091694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.091694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.091694 (E_RNA)
where:
Base-Base interactions energy: -137.776
where: short stacking energy: -69.191
Base-Backbone interact. energy: -0.021
local terms energy: -79.294357
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -8.560
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: 2, replica: 2
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -214.386732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.386732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.386732 (E_RNA)
where:
Base-Base interactions energy: -137.387
where: short stacking energy: -74.093
Base-Backbone interact. energy: -0.000
local terms energy: -76.999137
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -14.579
flat angles P-C4'-P energy: -9.714
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: 1
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -215.090757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.090757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.090757 (E_RNA)
where:
Base-Base interactions energy: -140.683
where: short stacking energy: -70.942
Base-Backbone interact. energy: -0.018
local terms energy: -74.390134
where:
bonds (distance) C4'-P energy: -11.255
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -16.521
flat angles P-C4'-P energy: -11.223
tors. eta vs tors. theta energy: -22.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -179.926108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.926108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.926108 (E_RNA)
where:
Base-Base interactions energy: -115.777
where: short stacking energy: -44.205
Base-Backbone interact. energy: 0.053
local terms energy: -64.202857
where:
bonds (distance) C4'-P energy: -11.266
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -12.917
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -12.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -180.084845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.084845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.084845 (E_RNA)
where:
Base-Base interactions energy: -119.802
where: short stacking energy: -46.017
Base-Backbone interact. energy: -0.295
local terms energy: -59.987856
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -11.172
flat angles P-C4'-P energy: -10.881
tors. eta vs tors. theta energy: -9.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -86.703796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.703796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.703796 (E_RNA)
where:
Base-Base interactions energy: -26.292
where: short stacking energy: -22.479
Base-Backbone interact. energy: -0.005
local terms energy: -60.406839
where:
bonds (distance) C4'-P energy: -11.802
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -15.843
flat angles P-C4'-P energy: -10.756
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: 7, replica: 9
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -89.146703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.146703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.146703 (E_RNA)
where:
Base-Base interactions energy: -34.183
where: short stacking energy: -34.183
Base-Backbone interact. energy: -0.025
local terms energy: -54.938127
where:
bonds (distance) C4'-P energy: -10.169
bonds (distance) P-C4' energy: -16.331
flat angles C4'-P-C4' energy: -14.067
flat angles P-C4'-P energy: -4.244
tors. eta vs tors. theta energy: -10.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -93.610298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.610298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.610298 (E_RNA)
where:
Base-Base interactions energy: -35.982
where: short stacking energy: -35.982
Base-Backbone interact. energy: -0.078
local terms energy: -57.550017
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -12.629
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -6.107
tors. eta vs tors. theta energy: -10.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -87.035123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.035123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.035123 (E_RNA)
where:
Base-Base interactions energy: -27.329
where: short stacking energy: -26.900
Base-Backbone interact. energy: 0.097
local terms energy: -59.803106
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -12.032
flat angles C4'-P-C4' energy: -16.637
flat angles P-C4'-P energy: -7.984
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: 10, replica: 8
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -86.981028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.981028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.981028 (E_RNA)
where:
Base-Base interactions energy: -35.752
where: short stacking energy: -35.752
Base-Backbone interact. energy: -0.151
local terms energy: -51.078069
where:
bonds (distance) C4'-P energy: -16.571
bonds (distance) P-C4' energy: -13.366
flat angles C4'-P-C4' energy: -12.949
flat angles P-C4'-P energy: -3.306
tors. eta vs tors. theta energy: -4.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -220.041003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.041003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.041003 (E_RNA)
where:
Base-Base interactions energy: -141.307
where: short stacking energy: -72.050
Base-Backbone interact. energy: -0.254
local terms energy: -78.479250
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -16.198
flat angles P-C4'-P energy: -10.329
tors. eta vs tors. theta energy: -24.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -217.878713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.878713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.878713 (E_RNA)
where:
Base-Base interactions energy: -136.843
where: short stacking energy: -67.799
Base-Backbone interact. energy: -0.001
local terms energy: -81.034230
where:
bonds (distance) C4'-P energy: -14.037
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -16.127
flat angles P-C4'-P energy: -10.073
tors. eta vs tors. theta energy: -24.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -204.486982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.486982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.486982 (E_RNA)
where:
Base-Base interactions energy: -130.917
where: short stacking energy: -64.018
Base-Backbone interact. energy: -0.495
local terms energy: -73.075649
where:
bonds (distance) C4'-P energy: -13.232
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -16.394
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -16.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -200.471553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.471553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.471553 (E_RNA)
where:
Base-Base interactions energy: -128.272
where: short stacking energy: -60.970
Base-Backbone interact. energy: -0.033
local terms energy: -72.167084
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -17.081
flat angles C4'-P-C4' energy: -13.351
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -16.273
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: 10
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -183.040520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.040520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.040520 (E_RNA)
where:
Base-Base interactions energy: -115.928
where: short stacking energy: -47.355
Base-Backbone interact. energy: -0.116
local terms energy: -66.996559
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -16.680
flat angles P-C4'-P energy: -8.409
tors. eta vs tors. theta energy: -14.927
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: 5
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -132.044032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.044032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.044032 (E_RNA)
where:
Base-Base interactions energy: -70.946
where: short stacking energy: -34.518
Base-Backbone interact. energy: -0.390
local terms energy: -60.708094
where:
bonds (distance) C4'-P energy: -15.953
bonds (distance) P-C4' energy: -10.258
flat angles C4'-P-C4' energy: -15.684
flat angles P-C4'-P energy: -12.808
tors. eta vs tors. theta energy: -6.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -95.633816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.633816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.633816 (E_RNA)
where:
Base-Base interactions energy: -40.143
where: short stacking energy: -34.452
Base-Backbone interact. energy: -0.075
local terms energy: -55.415422
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -16.471
flat angles C4'-P-C4' energy: -12.166
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -1.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -104.008332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.008332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.008332 (E_RNA)
where:
Base-Base interactions energy: -56.371
where: short stacking energy: -29.127
Base-Backbone interact. energy: -0.392
local terms energy: -47.245165
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -8.140
flat angles P-C4'-P energy: -9.828
tors. eta vs tors. theta energy: -0.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -84.461041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.461041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.461041 (E_RNA)
where:
Base-Base interactions energy: -34.171
where: short stacking energy: -28.062
Base-Backbone interact. energy: -0.034
local terms energy: -50.256500
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -13.400
flat angles C4'-P-C4' energy: -12.000
flat angles P-C4'-P energy: -11.045
tors. eta vs tors. theta energy: -0.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -77.679004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.679004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.679004 (E_RNA)
where:
Base-Base interactions energy: -27.890
where: short stacking energy: -18.501
Base-Backbone interact. energy: -0.517
local terms energy: -49.272814
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -13.023
flat angles C4'-P-C4' energy: -12.699
flat angles P-C4'-P energy: -11.423
tors. eta vs tors. theta energy: 0.468
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: 4
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -216.147463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.147463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.147463 (E_RNA)
where:
Base-Base interactions energy: -145.431
where: short stacking energy: -71.086
Base-Backbone interact. energy: -0.004
local terms energy: -70.712186
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -14.059
flat angles C4'-P-C4' energy: -14.594
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: -18.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -192.801814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.801814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.801814 (E_RNA)
where:
Base-Base interactions energy: -121.117
where: short stacking energy: -60.601
Base-Backbone interact. energy: -0.160
local terms energy: -71.524322
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -17.456
flat angles C4'-P-C4' energy: -16.855
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -13.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -213.750186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.750186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.750186 (E_RNA)
where:
Base-Base interactions energy: -136.659
where: short stacking energy: -68.951
Base-Backbone interact. energy: -0.635
local terms energy: -76.456005
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -13.300
flat angles P-C4'-P energy: -11.894
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: 4, replica: 10
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -187.410440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.410440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.410440 (E_RNA)
where:
Base-Base interactions energy: -128.648
where: short stacking energy: -59.235
Base-Backbone interact. energy: -0.096
local terms energy: -58.665649
where:
bonds (distance) C4'-P energy: -12.325
bonds (distance) P-C4' energy: -13.767
flat angles C4'-P-C4' energy: -12.567
flat angles P-C4'-P energy: -6.566
tors. eta vs tors. theta energy: -13.441
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: 5, replica: 1
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -191.586060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.586060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.586060 (E_RNA)
where:
Base-Base interactions energy: -122.119
where: short stacking energy: -58.485
Base-Backbone interact. energy: -0.007
local terms energy: -69.460298
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -13.590
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -8.975
tors. eta vs tors. theta energy: -20.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -146.370224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.370224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.370224 (E_RNA)
where:
Base-Base interactions energy: -94.346
where: short stacking energy: -46.779
Base-Backbone interact. energy: -0.070
local terms energy: -51.954205
where:
bonds (distance) C4'-P energy: -12.546
bonds (distance) P-C4' energy: -11.412
flat angles C4'-P-C4' energy: -12.947
flat angles P-C4'-P energy: -8.807
tors. eta vs tors. theta energy: -6.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -84.171712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.171712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.171712 (E_RNA)
where:
Base-Base interactions energy: -40.043
where: short stacking energy: -29.983
Base-Backbone interact. energy: -0.086
local terms energy: -44.042614
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -13.108
flat angles C4'-P-C4' energy: -9.213
flat angles P-C4'-P energy: -5.448
tors. eta vs tors. theta energy: -1.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -79.296780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.296780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.296780 (E_RNA)
where:
Base-Base interactions energy: -29.020
where: short stacking energy: -23.580
Base-Backbone interact. energy: 0.311
local terms energy: -50.588244
where:
bonds (distance) C4'-P energy: -14.037
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -10.316
flat angles P-C4'-P energy: -7.481
tors. eta vs tors. theta energy: -4.613
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: 9
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -83.458505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.458505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.458505 (E_RNA)
where:
Base-Base interactions energy: -33.042
where: short stacking energy: -33.042
Base-Backbone interact. energy: -0.850
local terms energy: -49.567040
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -13.143
flat angles C4'-P-C4' energy: -12.995
flat angles P-C4'-P energy: -9.644
tors. eta vs tors. theta energy: -2.540
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: 7
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -68.219095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.219095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.219095 (E_RNA)
where:
Base-Base interactions energy: -15.742
where: short stacking energy: -13.596
Base-Backbone interact. energy: -0.390
local terms energy: -52.087289
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -9.313
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: 4
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -220.940996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.940996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.940996 (E_RNA)
where:
Base-Base interactions energy: -149.139
where: short stacking energy: -70.442
Base-Backbone interact. energy: -0.033
local terms energy: -71.768854
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -12.862
flat angles C4'-P-C4' energy: -15.788
flat angles P-C4'-P energy: -13.686
tors. eta vs tors. theta energy: -14.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -209.549716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.549716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.549716 (E_RNA)
where:
Base-Base interactions energy: -135.414
where: short stacking energy: -63.439
Base-Backbone interact. energy: -0.070
local terms energy: -74.065681
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -17.159
flat angles P-C4'-P energy: -12.649
tors. eta vs tors. theta energy: -15.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -197.984523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.984523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.984523 (E_RNA)
where:
Base-Base interactions energy: -120.745
where: short stacking energy: -56.912
Base-Backbone interact. energy: -1.049
local terms energy: -76.190977
where:
bonds (distance) C4'-P energy: -15.327
bonds (distance) P-C4' energy: -17.074
flat angles C4'-P-C4' energy: -17.027
flat angles P-C4'-P energy: -10.517
tors. eta vs tors. theta energy: -16.246
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: 2
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -206.514782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.514782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.514782 (E_RNA)
where:
Base-Base interactions energy: -132.758
where: short stacking energy: -60.711
Base-Backbone interact. energy: 0.279
local terms energy: -74.035747
where:
bonds (distance) C4'-P energy: -13.664
bonds (distance) P-C4' energy: -15.388
flat angles C4'-P-C4' energy: -15.164
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: -18.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -195.648124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.648124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.648124 (E_RNA)
where:
Base-Base interactions energy: -120.593
where: short stacking energy: -60.427
Base-Backbone interact. energy: 0.277
local terms energy: -75.332137
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -11.184
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: 6, replica: 5
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -153.975568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.975568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.975568 (E_RNA)
where:
Base-Base interactions energy: -90.478
where: short stacking energy: -45.177
Base-Backbone interact. energy: -0.042
local terms energy: -63.456157
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -14.251
flat angles C4'-P-C4' energy: -13.896
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: -11.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -101.675092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.675092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.675092 (E_RNA)
where:
Base-Base interactions energy: -43.469
where: short stacking energy: -43.469
Base-Backbone interact. energy: -0.113
local terms energy: -58.092884
where:
bonds (distance) C4'-P energy: -8.832
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -7.964
tors. eta vs tors. theta energy: -13.762
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: 3
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -85.446990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.446990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.446990 (E_RNA)
where:
Base-Base interactions energy: -26.281
where: short stacking energy: -21.131
Base-Backbone interact. energy: -0.777
local terms energy: -58.389106
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -17.308
flat angles C4'-P-C4' energy: -8.409
flat angles P-C4'-P energy: -8.754
tors. eta vs tors. theta energy: -6.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -79.113490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.113490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.113490 (E_RNA)
where:
Base-Base interactions energy: -24.961
where: short stacking energy: -20.725
Base-Backbone interact. energy: -0.305
local terms energy: -53.847871
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -7.249
tors. eta vs tors. theta energy: -0.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -82.490566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.490566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.490566 (E_RNA)
where:
Base-Base interactions energy: -33.996
where: short stacking energy: -32.997
Base-Backbone interact. energy: -0.206
local terms energy: -48.288085
where:
bonds (distance) C4'-P energy: -7.987
bonds (distance) P-C4' energy: -15.821
flat angles C4'-P-C4' energy: -13.796
flat angles P-C4'-P energy: -8.225
tors. eta vs tors. theta energy: -2.459
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: 205
Temperature: 0.900000
Total energy: -223.310921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.310921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.310921 (E_RNA)
where:
Base-Base interactions energy: -143.292
where: short stacking energy: -76.734
Base-Backbone interact. energy: -0.076
local terms energy: -79.943220
where:
bonds (distance) C4'-P energy: -11.851
bonds (distance) P-C4' energy: -17.010
flat angles C4'-P-C4' energy: -16.539
flat angles P-C4'-P energy: -11.972
tors. eta vs tors. theta energy: -22.571
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: 2, replica: 10
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -219.734532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.734532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.734532 (E_RNA)
where:
Base-Base interactions energy: -139.312
where: short stacking energy: -71.735
Base-Backbone interact. energy: -0.010
local terms energy: -80.411909
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -11.911
flat angles P-C4'-P energy: -13.130
tors. eta vs tors. theta energy: -21.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -212.282788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.282788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.282788 (E_RNA)
where:
Base-Base interactions energy: -138.394
where: short stacking energy: -61.252
Base-Backbone interact. energy: -0.092
local terms energy: -73.796384
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -15.027
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -11.198
tors. eta vs tors. theta energy: -19.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -183.899342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.899342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.899342 (E_RNA)
where:
Base-Base interactions energy: -110.633
where: short stacking energy: -54.398
Base-Backbone interact. energy: -0.216
local terms energy: -73.050576
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -13.678
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: -17.239
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: 5, replica: 2
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -196.697941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.697941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.697941 (E_RNA)
where:
Base-Base interactions energy: -128.708
where: short stacking energy: -58.860
Base-Backbone interact. energy: -0.206
local terms energy: -67.783879
where:
bonds (distance) C4'-P energy: -8.979
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -14.639
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -16.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -153.947793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.947793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.947793 (E_RNA)
where:
Base-Base interactions energy: -98.290
where: short stacking energy: -45.995
Base-Backbone interact. energy: -0.259
local terms energy: -55.398923
where:
bonds (distance) C4'-P energy: -12.104
bonds (distance) P-C4' energy: -7.814
flat angles C4'-P-C4' energy: -15.335
flat angles P-C4'-P energy: -8.851
tors. eta vs tors. theta energy: -11.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -89.918143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.918143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.918143 (E_RNA)
where:
Base-Base interactions energy: -35.401
where: short stacking energy: -33.234
Base-Backbone interact. energy: -0.170
local terms energy: -54.347354
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -10.950
flat angles P-C4'-P energy: -9.878
tors. eta vs tors. theta energy: -3.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -77.534440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.534440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.534440 (E_RNA)
where:
Base-Base interactions energy: -26.486
where: short stacking energy: -23.469
Base-Backbone interact. energy: 0.003
local terms energy: -51.051543
where:
bonds (distance) C4'-P energy: -15.137
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -12.870
flat angles P-C4'-P energy: -7.540
tors. eta vs tors. theta energy: 0.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -92.926822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.926822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.926822 (E_RNA)
where:
Base-Base interactions energy: -36.716
where: short stacking energy: -27.301
Base-Backbone interact. energy: -0.678
local terms energy: -55.533137
where:
bonds (distance) C4'-P energy: -14.234
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -12.414
flat angles P-C4'-P energy: -8.083
tors. eta vs tors. theta energy: -4.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -79.993391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.993391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.993391 (E_RNA)
where:
Base-Base interactions energy: -30.934
where: short stacking energy: -25.331
Base-Backbone interact. energy: -0.197
local terms energy: -48.862783
where:
bonds (distance) C4'-P energy: -9.400
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -11.313
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: -2.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -221.082762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.082762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.082762 (E_RNA)
where:
Base-Base interactions energy: -144.204
where: short stacking energy: -72.586
Base-Backbone interact. energy: -0.104
local terms energy: -76.774491
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -18.098
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -19.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -211.022053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.022053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.022053 (E_RNA)
where:
Base-Base interactions energy: -136.909
where: short stacking energy: -71.460
Base-Backbone interact. energy: -0.002
local terms energy: -74.111222
where:
bonds (distance) C4'-P energy: -10.090
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -19.529
flat angles P-C4'-P energy: -9.519
tors. eta vs tors. theta energy: -19.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -213.617962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.617962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.617962 (E_RNA)
where:
Base-Base interactions energy: -144.025
where: short stacking energy: -68.477
Base-Backbone interact. energy: -0.173
local terms energy: -69.420481
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -11.734
flat angles P-C4'-P energy: -10.895
tors. eta vs tors. theta energy: -15.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -189.503078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.503078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.503078 (E_RNA)
where:
Base-Base interactions energy: -114.964
where: short stacking energy: -59.298
Base-Backbone interact. energy: -0.015
local terms energy: -74.524051
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -11.586
tors. eta vs tors. theta energy: -17.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -193.314436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.314436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.314436 (E_RNA)
where:
Base-Base interactions energy: -119.368
where: short stacking energy: -61.388
Base-Backbone interact. energy: -0.003
local terms energy: -73.943792
where:
bonds (distance) C4'-P energy: -12.056
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -16.415
flat angles P-C4'-P energy: -8.766
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: 5
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -105.290194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.290194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.290194 (E_RNA)
where:
Base-Base interactions energy: -61.588
where: short stacking energy: -37.798
Base-Backbone interact. energy: -0.219
local terms energy: -43.483235
where:
bonds (distance) C4'-P energy: -11.704
bonds (distance) P-C4' energy: -12.704
flat angles C4'-P-C4' energy: -4.725
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -4.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -88.610251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.610251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.610251 (E_RNA)
where:
Base-Base interactions energy: -41.558
where: short stacking energy: -41.558
Base-Backbone interact. energy: -0.051
local terms energy: -47.001212
where:
bonds (distance) C4'-P energy: -9.453
bonds (distance) P-C4' energy: -12.160
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: -1.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -81.174655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.174655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.174655 (E_RNA)
where:
Base-Base interactions energy: -31.524
where: short stacking energy: -27.163
Base-Backbone interact. energy: -0.070
local terms energy: -49.580225
where:
bonds (distance) C4'-P energy: -11.031
bonds (distance) P-C4' energy: -13.129
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -12.371
tors. eta vs tors. theta energy: 1.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -85.404035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.404035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.404035 (E_RNA)
where:
Base-Base interactions energy: -32.276
where: short stacking energy: -32.276
Base-Backbone interact. energy: -0.104
local terms energy: -53.024316
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -13.564
flat angles P-C4'-P energy: -3.235
tors. eta vs tors. theta energy: -5.185
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: 3
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -69.340518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.340518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.340518 (E_RNA)
where:
Base-Base interactions energy: -22.479
where: short stacking energy: -22.879
Base-Backbone interact. energy: -0.294
local terms energy: -46.567014
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -16.186
flat angles C4'-P-C4' energy: -9.168
flat angles P-C4'-P energy: -6.433
tors. eta vs tors. theta energy: 1.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -222.537890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.537890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.537890 (E_RNA)
where:
Base-Base interactions energy: -136.009
where: short stacking energy: -73.019
Base-Backbone interact. energy: -0.034
local terms energy: -86.495405
where:
bonds (distance) C4'-P energy: -16.437
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -17.164
flat angles P-C4'-P energy: -13.087
tors. eta vs tors. theta energy: -23.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -218.563848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.563848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.563848 (E_RNA)
where:
Base-Base interactions energy: -148.160
where: short stacking energy: -73.236
Base-Backbone interact. energy: -0.034
local terms energy: -70.369985
where:
bonds (distance) C4'-P energy: -10.704
bonds (distance) P-C4' energy: -14.229
flat angles C4'-P-C4' energy: -16.026
flat angles P-C4'-P energy: -8.987
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: 3, replica: 4
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -211.754014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.754014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.754014 (E_RNA)
where:
Base-Base interactions energy: -141.109
where: short stacking energy: -64.571
Base-Backbone interact. energy: -0.967
local terms energy: -69.678690
where:
bonds (distance) C4'-P energy: -10.583
bonds (distance) P-C4' energy: -13.345
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -12.004
tors. eta vs tors. theta energy: -18.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -199.385722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.385722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.385722 (E_RNA)
where:
Base-Base interactions energy: -124.852
where: short stacking energy: -52.211
Base-Backbone interact. energy: -0.049
local terms energy: -74.483915
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -14.663
flat angles P-C4'-P energy: -13.089
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: 5, replica: 2
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -175.015951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.015951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.015951 (E_RNA)
where:
Base-Base interactions energy: -109.809
where: short stacking energy: -51.009
Base-Backbone interact. energy: -0.283
local terms energy: -64.923597
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -13.020
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -11.603
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: 8
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -98.917846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.917846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.917846 (E_RNA)
where:
Base-Base interactions energy: -35.784
where: short stacking energy: -35.726
Base-Backbone interact. energy: -0.967
local terms energy: -62.166245
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -12.559
flat angles C4'-P-C4' energy: -15.741
flat angles P-C4'-P energy: -12.214
tors. eta vs tors. theta energy: -6.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -103.944479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.944479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.944479 (E_RNA)
where:
Base-Base interactions energy: -51.586
where: short stacking energy: -28.873
Base-Backbone interact. energy: -0.042
local terms energy: -52.316367
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -12.270
flat angles P-C4'-P energy: -8.030
tors. eta vs tors. theta energy: -5.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -93.995301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.995301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.995301 (E_RNA)
where:
Base-Base interactions energy: -37.173
where: short stacking energy: -32.882
Base-Backbone interact. energy: 2.291
local terms energy: -59.113311
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -14.394
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -7.919
tors. eta vs tors. theta energy: -2.633
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: 9
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -87.223485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.223485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.223485 (E_RNA)
where:
Base-Base interactions energy: -32.062
where: short stacking energy: -32.033
Base-Backbone interact. energy: 1.315
local terms energy: -56.476988
where:
bonds (distance) C4'-P energy: -11.956
bonds (distance) P-C4' energy: -14.182
flat angles C4'-P-C4' energy: -11.252
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: -10.359
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: 3
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -77.778234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.778234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.778234 (E_RNA)
where:
Base-Base interactions energy: -35.846
where: short stacking energy: -21.531
Base-Backbone interact. energy: -0.111
local terms energy: -41.821437
where:
bonds (distance) C4'-P energy: -10.340
bonds (distance) P-C4' energy: -14.558
flat angles C4'-P-C4' energy: -7.652
flat angles P-C4'-P energy: -6.616
tors. eta vs tors. theta energy: -2.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -222.472311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.472311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.472311 (E_RNA)
where:
Base-Base interactions energy: -144.068
where: short stacking energy: -74.437
Base-Backbone interact. energy: -0.204
local terms energy: -78.199912
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -17.142
flat angles C4'-P-C4' energy: -16.626
flat angles P-C4'-P energy: -9.677
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: 10
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -218.022503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.022503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.022503 (E_RNA)
where:
Base-Base interactions energy: -134.385
where: short stacking energy: -69.516
Base-Backbone interact. energy: -0.257
local terms energy: -83.380146
where:
bonds (distance) C4'-P energy: -17.771
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -16.407
flat angles P-C4'-P energy: -12.785
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: 4
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -206.512050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.512050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.512050 (E_RNA)
where:
Base-Base interactions energy: -125.823
where: short stacking energy: -65.371
Base-Backbone interact. energy: -0.453
local terms energy: -80.235336
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -15.580
flat angles C4'-P-C4' energy: -17.588
flat angles P-C4'-P energy: -12.920
tors. eta vs tors. theta energy: -18.863
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: 1
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -194.124301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.124301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.124301 (E_RNA)
where:
Base-Base interactions energy: -130.950
where: short stacking energy: -58.885
Base-Backbone interact. energy: 0.554
local terms energy: -63.728499
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -9.398
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -6.279
tors. eta vs tors. theta energy: -15.945
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: 5, replica: 2
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -186.833708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.833708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.833708 (E_RNA)
where:
Base-Base interactions energy: -119.599
where: short stacking energy: -56.821
Base-Backbone interact. energy: -0.244
local terms energy: -66.990753
where:
bonds (distance) C4'-P energy: -13.243
bonds (distance) P-C4' energy: -13.761
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: -15.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -98.808427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.808427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.808427 (E_RNA)
where:
Base-Base interactions energy: -47.583
where: short stacking energy: -32.259
Base-Backbone interact. energy: -0.280
local terms energy: -50.945558
where:
bonds (distance) C4'-P energy: -10.746
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -10.560
flat angles P-C4'-P energy: -8.330
tors. eta vs tors. theta energy: -6.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -107.247930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.247930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.247930 (E_RNA)
where:
Base-Base interactions energy: -62.735
where: short stacking energy: -42.842
Base-Backbone interact. energy: -0.172
local terms energy: -44.340327
where:
bonds (distance) C4'-P energy: -3.797
bonds (distance) P-C4' energy: -12.648
flat angles C4'-P-C4' energy: -14.779
flat angles P-C4'-P energy: -7.312
tors. eta vs tors. theta energy: -5.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -81.354533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.354533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.354533 (E_RNA)
where:
Base-Base interactions energy: -31.090
where: short stacking energy: -25.717
Base-Backbone interact. energy: -0.282
local terms energy: -49.982485
where:
bonds (distance) C4'-P energy: -12.071
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -13.960
flat angles P-C4'-P energy: -11.131
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: 9, replica: 3
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -85.069911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.069911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.069911 (E_RNA)
where:
Base-Base interactions energy: -29.531
where: short stacking energy: -22.371
Base-Backbone interact. energy: -0.139
local terms energy: -55.400715
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -8.099
tors. eta vs tors. theta energy: -2.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -81.028837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.028837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.028837 (E_RNA)
where:
Base-Base interactions energy: -26.090
where: short stacking energy: -26.090
Base-Backbone interact. energy: -0.157
local terms energy: -54.782340
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -9.258
flat angles P-C4'-P energy: -6.189
tors. eta vs tors. theta energy: -7.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -219.371528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.371528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.371528 (E_RNA)
where:
Base-Base interactions energy: -146.117
where: short stacking energy: -71.753
Base-Backbone interact. energy: -0.670
local terms energy: -72.584750
where:
bonds (distance) C4'-P energy: -5.657
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -16.638
flat angles P-C4'-P energy: -12.258
tors. eta vs tors. theta energy: -21.868
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: 2, replica: 10
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -220.009253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.009253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.009253 (E_RNA)
where:
Base-Base interactions energy: -140.060
where: short stacking energy: -68.855
Base-Backbone interact. energy: -0.021
local terms energy: -79.928357
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -12.089
flat angles P-C4'-P energy: -11.473
tors. eta vs tors. theta energy: -24.594
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: 3, replica: 4
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -206.316244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.316244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.316244 (E_RNA)
where:
Base-Base interactions energy: -134.029
where: short stacking energy: -67.540
Base-Backbone interact. energy: -0.032
local terms energy: -72.255527
where:
bonds (distance) C4'-P energy: -16.504
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -14.061
flat angles P-C4'-P energy: -7.953
tors. eta vs tors. theta energy: -16.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -190.912411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.912411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.912411 (E_RNA)
where:
Base-Base interactions energy: -121.054
where: short stacking energy: -58.013
Base-Backbone interact. energy: -0.092
local terms energy: -69.766547
where:
bonds (distance) C4'-P energy: -16.213
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -15.793
flat angles P-C4'-P energy: -7.249
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: 5, replica: 2
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -174.567186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.567186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.567186 (E_RNA)
where:
Base-Base interactions energy: -110.964
where: short stacking energy: -50.485
Base-Backbone interact. energy: -0.120
local terms energy: -63.483693
where:
bonds (distance) C4'-P energy: -15.395
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -7.746
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: 6, replica: 7
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -118.595268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.595268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.595268 (E_RNA)
where:
Base-Base interactions energy: -58.005
where: short stacking energy: -38.279
Base-Backbone interact. energy: -0.040
local terms energy: -60.550667
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -14.843
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: -8.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -97.010024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.010024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.010024 (E_RNA)
where:
Base-Base interactions energy: -52.387
where: short stacking energy: -35.698
Base-Backbone interact. energy: -0.250
local terms energy: -44.373663
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -12.384
flat angles C4'-P-C4' energy: -10.286
flat angles P-C4'-P energy: -6.058
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: 8, replica: 3
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -82.065010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.065010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.065010 (E_RNA)
where:
Base-Base interactions energy: -32.370
where: short stacking energy: -32.370
Base-Backbone interact. energy: -0.046
local terms energy: -49.648678
where:
bonds (distance) C4'-P energy: -8.517
bonds (distance) P-C4' energy: -13.394
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -2.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -82.635113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.635113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.635113 (E_RNA)
where:
Base-Base interactions energy: -39.081
where: short stacking energy: -33.849
Base-Backbone interact. energy: 2.003
local terms energy: -45.557533
where:
bonds (distance) C4'-P energy: -8.457
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -12.621
flat angles P-C4'-P energy: -5.534
tors. eta vs tors. theta energy: -3.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -73.674792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.674792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.674792 (E_RNA)
where:
Base-Base interactions energy: -25.668
where: short stacking energy: -20.866
Base-Backbone interact. energy: -0.354
local terms energy: -47.652006
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -13.117
flat angles P-C4'-P energy: -4.225
tors. eta vs tors. theta energy: -1.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -222.587397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.587397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.587397 (E_RNA)
where:
Base-Base interactions energy: -141.672
where: short stacking energy: -74.973
Base-Backbone interact. energy: -0.021
local terms energy: -80.894832
where:
bonds (distance) C4'-P energy: -16.185
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -14.926
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -21.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -210.742424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.742424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.742424 (E_RNA)
where:
Base-Base interactions energy: -140.677
where: short stacking energy: -69.213
Base-Backbone interact. energy: -0.008
local terms energy: -70.057046
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -11.976
flat angles C4'-P-C4' energy: -12.850
flat angles P-C4'-P energy: -6.664
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: 3, replica: 4
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -213.480209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.480209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.480209 (E_RNA)
where:
Base-Base interactions energy: -139.604
where: short stacking energy: -67.990
Base-Backbone interact. energy: -0.257
local terms energy: -73.619575
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -17.032
flat angles P-C4'-P energy: -11.098
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: 1
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -197.506413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.506413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.506413 (E_RNA)
where:
Base-Base interactions energy: -126.631
where: short stacking energy: -62.354
Base-Backbone interact. energy: -0.058
local terms energy: -70.816941
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -17.705
flat angles P-C4'-P energy: -10.181
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: 5, replica: 2
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -187.321800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.321800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.321800 (E_RNA)
where:
Base-Base interactions energy: -117.481
where: short stacking energy: -60.896
Base-Backbone interact. energy: -0.087
local terms energy: -69.754307
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -18.661
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -13.456
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: 210
Temperature: 1.150000
Total energy: -89.194689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.194689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.194689 (E_RNA)
where:
Base-Base interactions energy: -36.373
where: short stacking energy: -36.373
Base-Backbone interact. energy: -0.181
local terms energy: -52.640822
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -13.843
flat angles C4'-P-C4' energy: -12.526
flat angles P-C4'-P energy: -10.303
tors. eta vs tors. theta energy: -2.995
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: 3
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -94.182855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.182855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.182855 (E_RNA)
where:
Base-Base interactions energy: -42.983
where: short stacking energy: -28.819
Base-Backbone interact. energy: -0.355
local terms energy: -50.844761
where:
bonds (distance) C4'-P energy: -10.438
bonds (distance) P-C4' energy: -15.016
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -8.144
tors. eta vs tors. theta energy: -3.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -88.450290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.450290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.450290 (E_RNA)
where:
Base-Base interactions energy: -45.681
where: short stacking energy: -31.047
Base-Backbone interact. energy: -0.101
local terms energy: -42.668018
where:
bonds (distance) C4'-P energy: -8.090
bonds (distance) P-C4' energy: -11.443
flat angles C4'-P-C4' energy: -13.743
flat angles P-C4'-P energy: -4.044
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: 9, replica: 9
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -77.607257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.607257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.607257 (E_RNA)
where:
Base-Base interactions energy: -25.748
where: short stacking energy: -22.177
Base-Backbone interact. energy: 0.191
local terms energy: -52.050190
where:
bonds (distance) C4'-P energy: -16.194
bonds (distance) P-C4' energy: -11.480
flat angles C4'-P-C4' energy: -14.260
flat angles P-C4'-P energy: -9.336
tors. eta vs tors. theta energy: -0.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -76.362096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.362096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.362096 (E_RNA)
where:
Base-Base interactions energy: -28.268
where: short stacking energy: -25.005
Base-Backbone interact. energy: -0.175
local terms energy: -47.918647
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -9.896
flat angles P-C4'-P energy: -8.752
tors. eta vs tors. theta energy: 1.913
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: 1, replica: 6
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -216.024880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.024880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.024880 (E_RNA)
where:
Base-Base interactions energy: -142.760
where: short stacking energy: -69.601
Base-Backbone interact. energy: -0.429
local terms energy: -72.835421
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -11.026
flat angles C4'-P-C4' energy: -15.957
flat angles P-C4'-P energy: -12.852
tors. eta vs tors. theta energy: -21.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -219.106263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.106263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.106263 (E_RNA)
where:
Base-Base interactions energy: -143.541
where: short stacking energy: -72.221
Base-Backbone interact. energy: -0.001
local terms energy: -75.564634
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -14.630
flat angles C4'-P-C4' energy: -16.381
flat angles P-C4'-P energy: -10.990
tors. eta vs tors. theta energy: -20.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -214.322315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.322315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.322315 (E_RNA)
where:
Base-Base interactions energy: -136.666
where: short stacking energy: -69.252
Base-Backbone interact. energy: -0.570
local terms energy: -77.086088
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -17.517
flat angles C4'-P-C4' energy: -14.396
flat angles P-C4'-P energy: -12.049
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: 4, replica: 2
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -204.990498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.990498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.990498 (E_RNA)
where:
Base-Base interactions energy: -134.939
where: short stacking energy: -67.471
Base-Backbone interact. energy: -0.242
local terms energy: -69.808907
where:
bonds (distance) C4'-P energy: -15.911
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -16.059
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: -13.327
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: 1
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -170.795655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.795655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.795655 (E_RNA)
where:
Base-Base interactions energy: -101.070
where: short stacking energy: -45.069
Base-Backbone interact. energy: -0.803
local terms energy: -68.923248
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -15.323
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -12.526
tors. eta vs tors. theta energy: -10.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -102.438794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.438794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.438794 (E_RNA)
where:
Base-Base interactions energy: -54.144
where: short stacking energy: -22.660
Base-Backbone interact. energy: -0.219
local terms energy: -48.075499
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -10.043
flat angles C4'-P-C4' energy: -12.727
flat angles P-C4'-P energy: -8.727
tors. eta vs tors. theta energy: 0.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -86.492884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.492884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.492884 (E_RNA)
where:
Base-Base interactions energy: -35.010
where: short stacking energy: -35.010
Base-Backbone interact. energy: -0.396
local terms energy: -51.086844
where:
bonds (distance) C4'-P energy: -10.251
bonds (distance) P-C4' energy: -15.676
flat angles C4'-P-C4' energy: -12.656
flat angles P-C4'-P energy: -12.012
tors. eta vs tors. theta energy: -0.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -89.071402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.071402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.071402 (E_RNA)
where:
Base-Base interactions energy: -32.561
where: short stacking energy: -25.966
Base-Backbone interact. energy: -0.566
local terms energy: -55.944222
where:
bonds (distance) C4'-P energy: -11.024
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -7.244
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: 9, replica: 8
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -85.913389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.913389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.913389 (E_RNA)
where:
Base-Base interactions energy: -32.465
where: short stacking energy: -27.217
Base-Backbone interact. energy: -0.109
local terms energy: -53.339683
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -10.056
flat angles C4'-P-C4' energy: -12.193
flat angles P-C4'-P energy: -9.423
tors. eta vs tors. theta energy: -7.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -75.992620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.992620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.992620 (E_RNA)
where:
Base-Base interactions energy: -27.561
where: short stacking energy: -23.303
Base-Backbone interact. energy: -0.066
local terms energy: -48.365439
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -11.118
flat angles P-C4'-P energy: -4.641
tors. eta vs tors. theta energy: -6.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -221.232268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.232268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.232268 (E_RNA)
where:
Base-Base interactions energy: -143.221
where: short stacking energy: -77.194
Base-Backbone interact. energy: -0.350
local terms energy: -77.660806
where:
bonds (distance) C4'-P energy: -12.371
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -18.321
flat angles P-C4'-P energy: -8.757
tors. eta vs tors. theta energy: -22.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -211.970414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.970414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.970414 (E_RNA)
where:
Base-Base interactions energy: -137.006
where: short stacking energy: -68.721
Base-Backbone interact. energy: -0.004
local terms energy: -74.960138
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -14.092
flat angles C4'-P-C4' energy: -14.023
flat angles P-C4'-P energy: -8.690
tors. eta vs tors. theta energy: -22.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -202.407025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.407025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.407025 (E_RNA)
where:
Base-Base interactions energy: -129.218
where: short stacking energy: -60.087
Base-Backbone interact. energy: -0.095
local terms energy: -73.094603
where:
bonds (distance) C4'-P energy: -12.545
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -18.151
flat angles P-C4'-P energy: -11.105
tors. eta vs tors. theta energy: -16.041
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: 10
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -201.828734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.828734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.828734 (E_RNA)
where:
Base-Base interactions energy: -131.199
where: short stacking energy: -63.505
Base-Backbone interact. energy: -0.060
local terms energy: -70.570480
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -13.995
flat angles C4'-P-C4' energy: -13.049
flat angles P-C4'-P energy: -11.510
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: 5, replica: 1
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -167.028141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.028141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.028141 (E_RNA)
where:
Base-Base interactions energy: -102.236
where: short stacking energy: -56.644
Base-Backbone interact. energy: -0.056
local terms energy: -64.736906
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -13.822
flat angles C4'-P-C4' energy: -12.924
flat angles P-C4'-P energy: -6.309
tors. eta vs tors. theta energy: -15.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -93.031164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.031164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.031164 (E_RNA)
where:
Base-Base interactions energy: -33.859
where: short stacking energy: -33.471
Base-Backbone interact. energy: -0.488
local terms energy: -58.683928
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -12.439
flat angles P-C4'-P energy: -7.961
tors. eta vs tors. theta energy: -6.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -100.117792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.117792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.117792 (E_RNA)
where:
Base-Base interactions energy: -44.676
where: short stacking energy: -38.796
Base-Backbone interact. energy: -1.042
local terms energy: -54.399374
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -10.386
flat angles P-C4'-P energy: -5.504
tors. eta vs tors. theta energy: -8.706
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: 7
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -84.426349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.426349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.426349 (E_RNA)
where:
Base-Base interactions energy: -29.122
where: short stacking energy: -29.122
Base-Backbone interact. energy: -0.065
local terms energy: -55.239242
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -10.004
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -6.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -89.000082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.000082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.000082 (E_RNA)
where:
Base-Base interactions energy: -43.863
where: short stacking energy: -21.862
Base-Backbone interact. energy: -0.207
local terms energy: -44.929979
where:
bonds (distance) C4'-P energy: -8.981
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -15.121
flat angles P-C4'-P energy: -6.217
tors. eta vs tors. theta energy: -1.319
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: 8
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -81.982465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.982465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.982465 (E_RNA)
where:
Base-Base interactions energy: -26.446
where: short stacking energy: -26.446
Base-Backbone interact. energy: -0.097
local terms energy: -55.439116
where:
bonds (distance) C4'-P energy: -13.895
bonds (distance) P-C4' energy: -9.776
flat angles C4'-P-C4' energy: -14.241
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -7.975
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: 1, replica: 4
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -220.383801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.383801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.383801 (E_RNA)
where:
Base-Base interactions energy: -140.953
where: short stacking energy: -75.606
Base-Backbone interact. energy: -0.017
local terms energy: -79.413269
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -14.513
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -12.775
tors. eta vs tors. theta energy: -21.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -216.955938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.955938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.955938 (E_RNA)
where:
Base-Base interactions energy: -141.573
where: short stacking energy: -70.873
Base-Backbone interact. energy: -0.092
local terms energy: -75.291354
where:
bonds (distance) C4'-P energy: -17.138
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -8.887
tors. eta vs tors. theta energy: -17.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -203.155078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.155078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.155078 (E_RNA)
where:
Base-Base interactions energy: -129.587
where: short stacking energy: -63.364
Base-Backbone interact. energy: -0.018
local terms energy: -73.550174
where:
bonds (distance) C4'-P energy: -10.107
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -18.467
flat angles P-C4'-P energy: -10.526
tors. eta vs tors. theta energy: -16.947
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: 1
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -200.400922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.400922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.400922 (E_RNA)
where:
Base-Base interactions energy: -133.960
where: short stacking energy: -56.397
Base-Backbone interact. energy: -0.111
local terms energy: -66.329969
where:
bonds (distance) C4'-P energy: -12.917
bonds (distance) P-C4' energy: -12.393
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -10.021
tors. eta vs tors. theta energy: -14.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -191.253345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.253345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.253345 (E_RNA)
where:
Base-Base interactions energy: -114.713
where: short stacking energy: -54.186
Base-Backbone interact. energy: -0.144
local terms energy: -76.396221
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -16.316
flat angles C4'-P-C4' energy: -16.480
flat angles P-C4'-P energy: -9.944
tors. eta vs tors. theta energy: -18.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -95.087140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.087140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.087140 (E_RNA)
where:
Base-Base interactions energy: -39.475
where: short stacking energy: -30.096
Base-Backbone interact. energy: -0.250
local terms energy: -55.362165
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -13.789
flat angles P-C4'-P energy: -7.637
tors. eta vs tors. theta energy: -5.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -97.110889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.110889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.110889 (E_RNA)
where:
Base-Base interactions energy: -44.506
where: short stacking energy: -25.590
Base-Backbone interact. energy: 3.141
local terms energy: -55.745983
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -9.372
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: -3.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -79.346915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.346915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.346915 (E_RNA)
where:
Base-Base interactions energy: -41.476
where: short stacking energy: -24.995
Base-Backbone interact. energy: -0.263
local terms energy: -37.607611
where:
bonds (distance) C4'-P energy: -10.133
bonds (distance) P-C4' energy: -11.102
flat angles C4'-P-C4' energy: -10.718
flat angles P-C4'-P energy: -7.542
tors. eta vs tors. theta energy: 1.888
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: 213
Temperature: 1.300000
Total energy: -79.429991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.429991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.429991 (E_RNA)
where:
Base-Base interactions energy: -30.970
where: short stacking energy: -28.017
Base-Backbone interact. energy: -0.276
local terms energy: -48.183381
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -15.608
flat angles C4'-P-C4' energy: -7.953
flat angles P-C4'-P energy: -9.580
tors. eta vs tors. theta energy: -0.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -69.614420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.614420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.614420 (E_RNA)
where:
Base-Base interactions energy: -20.607
where: short stacking energy: -19.074
Base-Backbone interact. energy: -0.045
local terms energy: -48.962553
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -6.259
tors. eta vs tors. theta energy: 0.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -225.538577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.538577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.538577 (E_RNA)
where:
Base-Base interactions energy: -146.605
where: short stacking energy: -70.858
Base-Backbone interact. energy: 0.841
local terms energy: -79.774028
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -14.164
flat angles C4'-P-C4' energy: -17.096
flat angles P-C4'-P energy: -12.377
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: 2, replica: 6
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -213.738811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.738811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.738811 (E_RNA)
where:
Base-Base interactions energy: -141.686
where: short stacking energy: -69.599
Base-Backbone interact. energy: -0.001
local terms energy: -72.051496
where:
bonds (distance) C4'-P energy: -11.048
bonds (distance) P-C4' energy: -13.685
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -12.770
tors. eta vs tors. theta energy: -20.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -217.614984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.614984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.614984 (E_RNA)
where:
Base-Base interactions energy: -146.168
where: short stacking energy: -65.879
Base-Backbone interact. energy: -0.434
local terms energy: -71.012423
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -14.450
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -12.202
tors. eta vs tors. theta energy: -16.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -202.953822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.953822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.953822 (E_RNA)
where:
Base-Base interactions energy: -134.874
where: short stacking energy: -60.481
Base-Backbone interact. energy: -0.022
local terms energy: -68.057954
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -16.183
flat angles P-C4'-P energy: -5.039
tors. eta vs tors. theta energy: -15.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -178.686060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.686060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.686060 (E_RNA)
where:
Base-Base interactions energy: -111.445
where: short stacking energy: -57.462
Base-Backbone interact. energy: -0.007
local terms energy: -67.233341
where:
bonds (distance) C4'-P energy: -10.497
bonds (distance) P-C4' energy: -12.276
flat angles C4'-P-C4' energy: -16.927
flat angles P-C4'-P energy: -12.164
tors. eta vs tors. theta energy: -15.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -97.884100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.884100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.884100 (E_RNA)
where:
Base-Base interactions energy: -45.082
where: short stacking energy: -39.953
Base-Backbone interact. energy: 0.407
local terms energy: -53.208813
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -13.712
flat angles P-C4'-P energy: -4.957
tors. eta vs tors. theta energy: -6.674
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: 5
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -87.869070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.869070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.869070 (E_RNA)
where:
Base-Base interactions energy: -35.091
where: short stacking energy: -28.420
Base-Backbone interact. energy: -0.007
local terms energy: -52.771515
where:
bonds (distance) C4'-P energy: -12.159
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -11.962
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -3.713
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: 3
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -98.413708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.413708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.413708 (E_RNA)
where:
Base-Base interactions energy: -33.166
where: short stacking energy: -31.338
Base-Backbone interact. energy: 0.120
local terms energy: -65.367337
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -15.170
flat angles P-C4'-P energy: -9.943
tors. eta vs tors. theta energy: -8.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -76.721853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.721853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.721853 (E_RNA)
where:
Base-Base interactions energy: -27.092
where: short stacking energy: -26.804
Base-Backbone interact. energy: -0.065
local terms energy: -49.565429
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -16.440
flat angles C4'-P-C4' energy: -13.182
flat angles P-C4'-P energy: -8.013
tors. eta vs tors. theta energy: 3.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -84.583046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.583046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.583046 (E_RNA)
where:
Base-Base interactions energy: -41.051
where: short stacking energy: -27.079
Base-Backbone interact. energy: -0.037
local terms energy: -43.495234
where:
bonds (distance) C4'-P energy: -10.013
bonds (distance) P-C4' energy: -12.933
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -4.362
tors. eta vs tors. theta energy: -0.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -226.392794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.392794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.392794 (E_RNA)
where:
Base-Base interactions energy: -146.037
where: short stacking energy: -75.072
Base-Backbone interact. energy: -0.003
local terms energy: -80.352773
where:
bonds (distance) C4'-P energy: -16.516
bonds (distance) P-C4' energy: -14.218
flat angles C4'-P-C4' energy: -18.163
flat angles P-C4'-P energy: -12.392
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: 2, replica: 1
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -219.679064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.679064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.679064 (E_RNA)
where:
Base-Base interactions energy: -144.629
where: short stacking energy: -71.514
Base-Backbone interact. energy: -0.418
local terms energy: -74.631783
where:
bonds (distance) C4'-P energy: -15.555
bonds (distance) P-C4' energy: -15.134
flat angles C4'-P-C4' energy: -14.360
flat angles P-C4'-P energy: -11.534
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: 3, replica: 6
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -210.522902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.522902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.522902 (E_RNA)
where:
Base-Base interactions energy: -136.063
where: short stacking energy: -66.356
Base-Backbone interact. energy: 0.480
local terms energy: -74.940200
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -12.863
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: 4, replica: 10
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -202.563630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.563630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.563630 (E_RNA)
where:
Base-Base interactions energy: -129.511
where: short stacking energy: -69.248
Base-Backbone interact. energy: -0.000
local terms energy: -73.052591
where:
bonds (distance) C4'-P energy: -18.002
bonds (distance) P-C4' energy: -12.582
flat angles C4'-P-C4' energy: -12.533
flat angles P-C4'-P energy: -10.483
tors. eta vs tors. theta energy: -19.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -195.125813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.125813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.125813 (E_RNA)
where:
Base-Base interactions energy: -128.761
where: short stacking energy: -58.540
Base-Backbone interact. energy: -0.286
local terms energy: -66.078947
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -8.455
tors. eta vs tors. theta energy: -14.717
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: 6, replica: 5
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -98.420162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.420162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.420162 (E_RNA)
where:
Base-Base interactions energy: -50.188
where: short stacking energy: -30.443
Base-Backbone interact. energy: 1.006
local terms energy: -49.237537
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -9.589
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -8.066
tors. eta vs tors. theta energy: -1.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -89.368357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.368357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.368357 (E_RNA)
where:
Base-Base interactions energy: -35.236
where: short stacking energy: -23.973
Base-Backbone interact. energy: -1.150
local terms energy: -52.982289
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -11.317
flat angles P-C4'-P energy: -7.569
tors. eta vs tors. theta energy: -3.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -91.440961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.440961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.440961 (E_RNA)
where:
Base-Base interactions energy: -38.349
where: short stacking energy: -38.349
Base-Backbone interact. energy: -1.371
local terms energy: -51.721048
where:
bonds (distance) C4'-P energy: -11.982
bonds (distance) P-C4' energy: -12.396
flat angles C4'-P-C4' energy: -9.777
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: -8.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -81.435427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.435427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.435427 (E_RNA)
where:
Base-Base interactions energy: -31.602
where: short stacking energy: -29.173
Base-Backbone interact. energy: -0.022
local terms energy: -49.811164
where:
bonds (distance) C4'-P energy: -10.821
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -10.166
flat angles P-C4'-P energy: -6.384
tors. eta vs tors. theta energy: -6.128
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: 7
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -69.932065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.932065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.932065 (E_RNA)
where:
Base-Base interactions energy: -22.228
where: short stacking energy: -22.228
Base-Backbone interact. energy: -0.099
local terms energy: -47.605853
where:
bonds (distance) C4'-P energy: -10.248
bonds (distance) P-C4' energy: -13.773
flat angles C4'-P-C4' energy: -9.760
flat angles P-C4'-P energy: -12.306
tors. eta vs tors. theta energy: -1.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -228.082628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.082628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.082628 (E_RNA)
where:
Base-Base interactions energy: -147.845
where: short stacking energy: -77.666
Base-Backbone interact. energy: -0.000
local terms energy: -80.236989
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -16.818
flat angles P-C4'-P energy: -12.026
tors. eta vs tors. theta energy: -22.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -219.567435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.567435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.567435 (E_RNA)
where:
Base-Base interactions energy: -144.888
where: short stacking energy: -66.924
Base-Backbone interact. energy: -0.107
local terms energy: -74.572493
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -8.241
tors. eta vs tors. theta energy: -19.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -204.872972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.872972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.872972 (E_RNA)
where:
Base-Base interactions energy: -130.499
where: short stacking energy: -70.950
Base-Backbone interact. energy: -0.001
local terms energy: -74.372994
where:
bonds (distance) C4'-P energy: -11.063
bonds (distance) P-C4' energy: -13.598
flat angles C4'-P-C4' energy: -16.571
flat angles P-C4'-P energy: -12.837
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: 6
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -206.955066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.955066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.955066 (E_RNA)
where:
Base-Base interactions energy: -132.612
where: short stacking energy: -68.809
Base-Backbone interact. energy: -0.038
local terms energy: -74.304899
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -15.761
flat angles C4'-P-C4' energy: -13.326
flat angles P-C4'-P energy: -7.563
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: 5, replica: 2
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -191.748921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.748921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.748921 (E_RNA)
where:
Base-Base interactions energy: -116.990
where: short stacking energy: -58.676
Base-Backbone interact. energy: -0.571
local terms energy: -74.187368
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -10.236
tors. eta vs tors. theta energy: -17.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -110.777994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.777994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.777994 (E_RNA)
where:
Base-Base interactions energy: -42.033
where: short stacking energy: -41.871
Base-Backbone interact. energy: -1.035
local terms energy: -67.709699
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -16.941
flat angles P-C4'-P energy: -11.320
tors. eta vs tors. theta energy: -10.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -91.587396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.587396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.587396 (E_RNA)
where:
Base-Base interactions energy: -41.147
where: short stacking energy: -41.147
Base-Backbone interact. energy: -0.133
local terms energy: -50.307078
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -10.236
flat angles P-C4'-P energy: -3.127
tors. eta vs tors. theta energy: -8.543
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: 8, replica: 9
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -97.263300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.263300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.263300 (E_RNA)
where:
Base-Base interactions energy: -35.763
where: short stacking energy: -35.763
Base-Backbone interact. energy: -0.022
local terms energy: -61.479087
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -17.856
flat angles C4'-P-C4' energy: -11.905
flat angles P-C4'-P energy: -12.251
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: 7
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -83.444528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.444528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.444528 (E_RNA)
where:
Base-Base interactions energy: -28.869
where: short stacking energy: -19.967
Base-Backbone interact. energy: -0.123
local terms energy: -54.452863
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -18.236
flat angles C4'-P-C4' energy: -12.243
flat angles P-C4'-P energy: -9.430
tors. eta vs tors. theta energy: -0.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -71.674654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.674654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.674654 (E_RNA)
where:
Base-Base interactions energy: -26.735
where: short stacking energy: -26.835
Base-Backbone interact. energy: -0.141
local terms energy: -44.798965
where:
bonds (distance) C4'-P energy: -8.022
bonds (distance) P-C4' energy: -16.964
flat angles C4'-P-C4' energy: -12.307
flat angles P-C4'-P energy: -4.211
tors. eta vs tors. theta energy: -3.296
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: 1
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -223.139253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.139253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.139253 (E_RNA)
where:
Base-Base interactions energy: -145.130
where: short stacking energy: -77.968
Base-Backbone interact. energy: -1.146
local terms energy: -76.863861
where:
bonds (distance) C4'-P energy: -13.011
bonds (distance) P-C4' energy: -16.476
flat angles C4'-P-C4' energy: -14.352
flat angles P-C4'-P energy: -11.411
tors. eta vs tors. theta energy: -21.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -221.197016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.197016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.197016 (E_RNA)
where:
Base-Base interactions energy: -147.104
where: short stacking energy: -73.046
Base-Backbone interact. energy: -0.080
local terms energy: -74.013547
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -9.118
tors. eta vs tors. theta energy: -18.334
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: 4
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -204.793590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.793590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.793590 (E_RNA)
where:
Base-Base interactions energy: -129.133
where: short stacking energy: -62.833
Base-Backbone interact. energy: -0.980
local terms energy: -74.680938
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -16.470
flat angles P-C4'-P energy: -12.218
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: 6
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -193.207257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.207257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.207257 (E_RNA)
where:
Base-Base interactions energy: -123.940
where: short stacking energy: -59.167
Base-Backbone interact. energy: -0.402
local terms energy: -68.864845
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -13.239
flat angles C4'-P-C4' energy: -15.990
flat angles P-C4'-P energy: -10.329
tors. eta vs tors. theta energy: -15.117
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: 217
Temperature: 1.100000
Total energy: -206.777590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.777590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.777590 (E_RNA)
where:
Base-Base interactions energy: -126.083
where: short stacking energy: -66.032
Base-Backbone interact. energy: 0.136
local terms energy: -80.831277
where:
bonds (distance) C4'-P energy: -15.248
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -11.770
tors. eta vs tors. theta energy: -19.815
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: 6, replica: 5
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -103.648159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.648159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.648159 (E_RNA)
where:
Base-Base interactions energy: -43.411
where: short stacking energy: -35.665
Base-Backbone interact. energy: 0.090
local terms energy: -60.327307
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -17.390
flat angles C4'-P-C4' energy: -7.380
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: -11.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -92.118991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.118991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.118991 (E_RNA)
where:
Base-Base interactions energy: -42.252
where: short stacking energy: -27.955
Base-Backbone interact. energy: -0.034
local terms energy: -49.833348
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -10.974
flat angles P-C4'-P energy: -6.842
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: 8, replica: 7
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -83.280641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.280641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.280641 (E_RNA)
where:
Base-Base interactions energy: -32.836
where: short stacking energy: -25.661
Base-Backbone interact. energy: -0.507
local terms energy: -49.937359
where:
bonds (distance) C4'-P energy: -16.242
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -14.768
flat angles P-C4'-P energy: -5.241
tors. eta vs tors. theta energy: 1.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -97.612908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.612908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.612908 (E_RNA)
where:
Base-Base interactions energy: -38.903
where: short stacking energy: -38.654
Base-Backbone interact. energy: -0.263
local terms energy: -58.446510
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -3.279
tors. eta vs tors. theta energy: -10.822
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: 3
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -75.803846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.803846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.803846 (E_RNA)
where:
Base-Base interactions energy: -28.855
where: short stacking energy: -28.701
Base-Backbone interact. energy: -0.597
local terms energy: -46.351088
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -12.920
flat angles P-C4'-P energy: -3.985
tors. eta vs tors. theta energy: 0.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -217.181824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.181824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.181824 (E_RNA)
where:
Base-Base interactions energy: -135.734
where: short stacking energy: -69.389
Base-Backbone interact. energy: -0.222
local terms energy: -81.225730
where:
bonds (distance) C4'-P energy: -16.868
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -15.158
flat angles P-C4'-P energy: -14.286
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: 2, replica: 1
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -219.704019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.704019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.704019 (E_RNA)
where:
Base-Base interactions energy: -142.106
where: short stacking energy: -74.070
Base-Backbone interact. energy: -0.051
local terms energy: -77.547551
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -11.294
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -12.966
tors. eta vs tors. theta energy: -22.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -188.787197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.787197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.787197 (E_RNA)
where:
Base-Base interactions energy: -117.620
where: short stacking energy: -54.292
Base-Backbone interact. energy: -0.394
local terms energy: -70.773325
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -15.320
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -6.584
tors. eta vs tors. theta energy: -17.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -199.527738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.527738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.527738 (E_RNA)
where:
Base-Base interactions energy: -128.583
where: short stacking energy: -58.860
Base-Backbone interact. energy: -0.088
local terms energy: -70.857090
where:
bonds (distance) C4'-P energy: -12.345
bonds (distance) P-C4' energy: -17.196
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -8.307
tors. eta vs tors. theta energy: -16.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -187.612752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.612752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.612752 (E_RNA)
where:
Base-Base interactions energy: -120.918
where: short stacking energy: -65.215
Base-Backbone interact. energy: -0.304
local terms energy: -66.390596
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -11.362
flat angles P-C4'-P energy: -11.647
tors. eta vs tors. theta energy: -16.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -109.588854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.588854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.588854 (E_RNA)
where:
Base-Base interactions energy: -52.555
where: short stacking energy: -42.798
Base-Backbone interact. energy: -0.091
local terms energy: -56.942962
where:
bonds (distance) C4'-P energy: -15.392
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -4.765
tors. eta vs tors. theta energy: -7.663
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: 7, replica: 7
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -108.624328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.624328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.624328 (E_RNA)
where:
Base-Base interactions energy: -55.630
where: short stacking energy: -42.350
Base-Backbone interact. energy: 0.455
local terms energy: -53.449135
where:
bonds (distance) C4'-P energy: -8.470
bonds (distance) P-C4' energy: -12.081
flat angles C4'-P-C4' energy: -10.905
flat angles P-C4'-P energy: -9.448
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: 8
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -83.014947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.014947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.014947 (E_RNA)
where:
Base-Base interactions energy: -29.785
where: short stacking energy: -29.136
Base-Backbone interact. energy: -0.222
local terms energy: -53.007955
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -14.391
flat angles C4'-P-C4' energy: -9.307
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -3.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -74.022781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.022781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.022781 (E_RNA)
where:
Base-Base interactions energy: -39.568
where: short stacking energy: -36.169
Base-Backbone interact. energy: 0.465
local terms energy: -34.920644
where:
bonds (distance) C4'-P energy: -11.639
bonds (distance) P-C4' energy: -9.582
flat angles C4'-P-C4' energy: -9.001
flat angles P-C4'-P energy: -2.754
tors. eta vs tors. theta energy: -1.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -73.689357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.689357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.689357 (E_RNA)
where:
Base-Base interactions energy: -27.902
where: short stacking energy: -10.508
Base-Backbone interact. energy: -1.123
local terms energy: -44.664879
where:
bonds (distance) C4'-P energy: -9.429
bonds (distance) P-C4' energy: -18.891
flat angles C4'-P-C4' energy: -4.997
flat angles P-C4'-P energy: -10.209
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: 10
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -220.051478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.051478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.051478 (E_RNA)
where:
Base-Base interactions energy: -147.980
where: short stacking energy: -78.719
Base-Backbone interact. energy: -0.097
local terms energy: -71.974920
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -5.927
tors. eta vs tors. theta energy: -21.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -201.232498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.232498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.232498 (E_RNA)
where:
Base-Base interactions energy: -135.690
where: short stacking energy: -71.406
Base-Backbone interact. energy: -0.674
local terms energy: -64.868032
where:
bonds (distance) C4'-P energy: -9.602
bonds (distance) P-C4' energy: -14.820
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -7.816
tors. eta vs tors. theta energy: -17.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -206.313248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.313248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.313248 (E_RNA)
where:
Base-Base interactions energy: -129.277
where: short stacking energy: -69.084
Base-Backbone interact. energy: -0.010
local terms energy: -77.026755
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -11.559
tors. eta vs tors. theta energy: -18.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -212.217167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.217167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.217167 (E_RNA)
where:
Base-Base interactions energy: -142.091
where: short stacking energy: -75.913
Base-Backbone interact. energy: -0.400
local terms energy: -69.726066
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -14.652
flat angles P-C4'-P energy: -7.818
tors. eta vs tors. theta energy: -19.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -192.873444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.873444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.873444 (E_RNA)
where:
Base-Base interactions energy: -123.669
where: short stacking energy: -60.058
Base-Backbone interact. energy: -0.639
local terms energy: -68.565466
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -11.876
flat angles P-C4'-P energy: -11.864
tors. eta vs tors. theta energy: -17.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -83.907523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.907523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.907523 (E_RNA)
where:
Base-Base interactions energy: -28.796
where: short stacking energy: -22.484
Base-Backbone interact. energy: -0.137
local terms energy: -54.974681
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -12.085
tors. eta vs tors. theta energy: 2.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -103.505062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.505062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.505062 (E_RNA)
where:
Base-Base interactions energy: -43.601
where: short stacking energy: -29.700
Base-Backbone interact. energy: -0.345
local terms energy: -59.559021
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -9.670
tors. eta vs tors. theta energy: -6.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -71.217894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.217894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.217894 (E_RNA)
where:
Base-Base interactions energy: -23.485
where: short stacking energy: -15.160
Base-Backbone interact. energy: -0.413
local terms energy: -47.319692
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -8.908
flat angles P-C4'-P energy: -8.231
tors. eta vs tors. theta energy: -1.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -86.502492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.502492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.502492 (E_RNA)
where:
Base-Base interactions energy: -41.856
where: short stacking energy: -31.373
Base-Backbone interact. energy: -0.192
local terms energy: -44.454649
where:
bonds (distance) C4'-P energy: -9.695
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -9.362
flat angles P-C4'-P energy: -9.214
tors. eta vs tors. theta energy: -0.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -79.676413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.676413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.676413 (E_RNA)
where:
Base-Base interactions energy: -37.971
where: short stacking energy: -25.676
Base-Backbone interact. energy: -0.264
local terms energy: -41.440938
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -11.823
flat angles C4'-P-C4' energy: -9.602
flat angles P-C4'-P energy: -7.398
tors. eta vs tors. theta energy: 1.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -203.637709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.637709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.637709 (E_RNA)
where:
Base-Base interactions energy: -124.302
where: short stacking energy: -60.590
Base-Backbone interact. energy: -0.071
local terms energy: -79.264604
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -17.289
flat angles P-C4'-P energy: -12.100
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: 2, replica: 10
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -211.582620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.582620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.582620 (E_RNA)
where:
Base-Base interactions energy: -134.611
where: short stacking energy: -65.246
Base-Backbone interact. energy: -0.126
local terms energy: -76.845746
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -15.631
flat angles P-C4'-P energy: -11.236
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: 3, replica: 2
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -203.220885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.220885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.220885 (E_RNA)
where:
Base-Base interactions energy: -130.524
where: short stacking energy: -67.768
Base-Backbone interact. energy: -0.010
local terms energy: -72.686610
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -12.565
flat angles C4'-P-C4' energy: -15.331
flat angles P-C4'-P energy: -10.171
tors. eta vs tors. theta energy: -20.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -207.201264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.201264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.201264 (E_RNA)
where:
Base-Base interactions energy: -130.261
where: short stacking energy: -63.004
Base-Backbone interact. energy: -0.124
local terms energy: -76.815786
where:
bonds (distance) C4'-P energy: -13.158
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -16.452
flat angles P-C4'-P energy: -12.820
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: 4
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -198.245472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.245472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.245472 (E_RNA)
where:
Base-Base interactions energy: -129.673
where: short stacking energy: -57.199
Base-Backbone interact. energy: -0.073
local terms energy: -68.500056
where:
bonds (distance) C4'-P energy: -16.790
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -9.399
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -18.335
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: 7
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -109.485428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.485428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.485428 (E_RNA)
where:
Base-Base interactions energy: -47.447
where: short stacking energy: -31.984
Base-Backbone interact. energy: 0.039
local terms energy: -62.077258
where:
bonds (distance) C4'-P energy: -15.813
bonds (distance) P-C4' energy: -14.975
flat angles C4'-P-C4' energy: -14.822
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: -8.623
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: 3
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -84.946728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.946728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.946728 (E_RNA)
where:
Base-Base interactions energy: -26.189
where: short stacking energy: -23.226
Base-Backbone interact. energy: -0.347
local terms energy: -58.411504
where:
bonds (distance) C4'-P energy: -14.133
bonds (distance) P-C4' energy: -16.443
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -8.114
tors. eta vs tors. theta energy: -4.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -89.984096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.984096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.984096 (E_RNA)
where:
Base-Base interactions energy: -30.443
where: short stacking energy: -30.443
Base-Backbone interact. energy: 0.093
local terms energy: -59.634259
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -12.169
flat angles P-C4'-P energy: -5.092
tors. eta vs tors. theta energy: -9.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -83.793826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.793826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.793826 (E_RNA)
where:
Base-Base interactions energy: -31.975
where: short stacking energy: -27.617
Base-Backbone interact. energy: -0.077
local terms energy: -51.742215
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -9.491
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: -4.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -80.840242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.840242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.840242 (E_RNA)
where:
Base-Base interactions energy: -30.305
where: short stacking energy: -30.305
Base-Backbone interact. energy: -0.019
local terms energy: -50.515797
where:
bonds (distance) C4'-P energy: -16.308
bonds (distance) P-C4' energy: -16.698
flat angles C4'-P-C4' energy: -11.643
flat angles P-C4'-P energy: -3.692
tors. eta vs tors. theta energy: -2.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -216.826835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.826835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.826835 (E_RNA)
where:
Base-Base interactions energy: -131.779
where: short stacking energy: -66.546
Base-Backbone interact. energy: -0.027
local terms energy: -85.021480
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -17.251
flat angles C4'-P-C4' energy: -17.641
flat angles P-C4'-P energy: -11.888
tors. eta vs tors. theta energy: -22.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -215.096796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.096796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.096796 (E_RNA)
where:
Base-Base interactions energy: -135.912
where: short stacking energy: -70.390
Base-Backbone interact. energy: -0.217
local terms energy: -78.967966
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -16.601
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -12.469
tors. eta vs tors. theta energy: -19.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -211.681325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.681325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.681325 (E_RNA)
where:
Base-Base interactions energy: -131.692
where: short stacking energy: -63.119
Base-Backbone interact. energy: -0.028
local terms energy: -79.961217
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -12.174
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: 4, replica: 4
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -204.410017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.410017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.410017 (E_RNA)
where:
Base-Base interactions energy: -142.839
where: short stacking energy: -63.941
Base-Backbone interact. energy: -0.055
local terms energy: -61.515942
where:
bonds (distance) C4'-P energy: -9.553
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -16.197
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -13.676
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: 1
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -193.131222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.131222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.131222 (E_RNA)
where:
Base-Base interactions energy: -115.590
where: short stacking energy: -56.231
Base-Backbone interact. energy: -0.003
local terms energy: -77.538991
where:
bonds (distance) C4'-P energy: -18.822
bonds (distance) P-C4' energy: -14.875
flat angles C4'-P-C4' energy: -12.690
flat angles P-C4'-P energy: -12.790
tors. eta vs tors. theta energy: -18.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -90.944525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.944525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.944525 (E_RNA)
where:
Base-Base interactions energy: -35.561
where: short stacking energy: -35.561
Base-Backbone interact. energy: -0.481
local terms energy: -54.902609
where:
bonds (distance) C4'-P energy: -17.655
bonds (distance) P-C4' energy: -15.021
flat angles C4'-P-C4' energy: -12.018
flat angles P-C4'-P energy: -7.956
tors. eta vs tors. theta energy: -2.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -103.034623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.034623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.034623 (E_RNA)
where:
Base-Base interactions energy: -45.135
where: short stacking energy: -27.795
Base-Backbone interact. energy: -0.140
local terms energy: -57.760323
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -13.185
flat angles P-C4'-P energy: -9.584
tors. eta vs tors. theta energy: -4.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -95.004325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.004325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.004325 (E_RNA)
where:
Base-Base interactions energy: -39.143
where: short stacking energy: -37.153
Base-Backbone interact. energy: -0.082
local terms energy: -55.779514
where:
bonds (distance) C4'-P energy: -8.932
bonds (distance) P-C4' energy: -13.838
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -9.085
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: 9, replica: 5
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -77.513506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.513506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.513506 (E_RNA)
where:
Base-Base interactions energy: -27.040
where: short stacking energy: -26.123
Base-Backbone interact. energy: -0.235
local terms energy: -50.238992
where:
bonds (distance) C4'-P energy: -16.694
bonds (distance) P-C4' energy: -15.969
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -4.305
tors. eta vs tors. theta energy: 1.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -78.011040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.011040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.011040 (E_RNA)
where:
Base-Base interactions energy: -23.532
where: short stacking energy: -23.532
Base-Backbone interact. energy: 1.140
local terms energy: -55.619413
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -15.171
flat angles P-C4'-P energy: -8.167
tors. eta vs tors. theta energy: -3.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -222.947795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.947795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.947795 (E_RNA)
where:
Base-Base interactions energy: -137.364
where: short stacking energy: -72.690
Base-Backbone interact. energy: -0.065
local terms energy: -85.519211
where:
bonds (distance) C4'-P energy: -13.398
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -16.025
flat angles P-C4'-P energy: -13.131
tors. eta vs tors. theta energy: -24.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -223.353925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.353925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.353925 (E_RNA)
where:
Base-Base interactions energy: -140.638
where: short stacking energy: -68.235
Base-Backbone interact. energy: -0.822
local terms energy: -81.893812
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -18.415
flat angles P-C4'-P energy: -9.068
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: 4
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -204.162672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.162672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.162672 (E_RNA)
where:
Base-Base interactions energy: -136.036
where: short stacking energy: -67.775
Base-Backbone interact. energy: -0.012
local terms energy: -68.115252
where:
bonds (distance) C4'-P energy: -11.399
bonds (distance) P-C4' energy: -11.509
flat angles C4'-P-C4' energy: -14.182
flat angles P-C4'-P energy: -12.341
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: 10
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -198.687551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.687551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.687551 (E_RNA)
where:
Base-Base interactions energy: -129.927
where: short stacking energy: -65.391
Base-Backbone interact. energy: -0.086
local terms energy: -68.674436
where:
bonds (distance) C4'-P energy: -7.768
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -12.262
tors. eta vs tors. theta energy: -16.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -179.540136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.540136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.540136 (E_RNA)
where:
Base-Base interactions energy: -107.723
where: short stacking energy: -58.747
Base-Backbone interact. energy: -0.233
local terms energy: -71.584020
where:
bonds (distance) C4'-P energy: -12.446
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -15.445
flat angles P-C4'-P energy: -12.500
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: 6, replica: 3
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -102.067765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.067765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.067765 (E_RNA)
where:
Base-Base interactions energy: -41.556
where: short stacking energy: -37.251
Base-Backbone interact. energy: -0.010
local terms energy: -60.501326
where:
bonds (distance) C4'-P energy: -17.097
bonds (distance) P-C4' energy: -15.197
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: -6.603
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: 7, replica: 9
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -93.782959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.782959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.782959 (E_RNA)
where:
Base-Base interactions energy: -37.244
where: short stacking energy: -37.244
Base-Backbone interact. energy: -0.023
local terms energy: -56.515818
where:
bonds (distance) C4'-P energy: -11.259
bonds (distance) P-C4' energy: -10.886
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -7.057
tors. eta vs tors. theta energy: -12.362
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: 7
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -85.115549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.115549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.115549 (E_RNA)
where:
Base-Base interactions energy: -36.109
where: short stacking energy: -30.107
Base-Backbone interact. energy: -1.081
local terms energy: -47.924782
where:
bonds (distance) C4'-P energy: -10.585
bonds (distance) P-C4' energy: -12.263
flat angles C4'-P-C4' energy: -10.790
flat angles P-C4'-P energy: -9.075
tors. eta vs tors. theta energy: -5.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -82.748577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.748577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.748577 (E_RNA)
where:
Base-Base interactions energy: -31.122
where: short stacking energy: -31.122
Base-Backbone interact. energy: -0.811
local terms energy: -50.815494
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -11.957
flat angles C4'-P-C4' energy: -10.233
flat angles P-C4'-P energy: -5.365
tors. eta vs tors. theta energy: -6.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -82.186981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.186981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.186981 (E_RNA)
where:
Base-Base interactions energy: -33.139
where: short stacking energy: -30.356
Base-Backbone interact. energy: -0.123
local terms energy: -48.925506
where:
bonds (distance) C4'-P energy: -16.943
bonds (distance) P-C4' energy: -8.448
flat angles C4'-P-C4' energy: -15.654
flat angles P-C4'-P energy: -5.388
tors. eta vs tors. theta energy: -2.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -218.028132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.028132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.028132 (E_RNA)
where:
Base-Base interactions energy: -140.513
where: short stacking energy: -75.689
Base-Backbone interact. energy: 0.757
local terms energy: -78.272136
where:
bonds (distance) C4'-P energy: -17.444
bonds (distance) P-C4' energy: -16.933
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -9.654
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: 2, replica: 4
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -213.300262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.300262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.300262 (E_RNA)
where:
Base-Base interactions energy: -134.031
where: short stacking energy: -67.998
Base-Backbone interact. energy: -0.189
local terms energy: -79.080505
where:
bonds (distance) C4'-P energy: -13.483
bonds (distance) P-C4' energy: -13.449
flat angles C4'-P-C4' energy: -16.650
flat angles P-C4'-P energy: -13.810
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: 3, replica: 6
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -205.991999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.991999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.991999 (E_RNA)
where:
Base-Base interactions energy: -140.397
where: short stacking energy: -72.128
Base-Backbone interact. energy: 0.205
local terms energy: -65.800516
where:
bonds (distance) C4'-P energy: -11.576
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: -17.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -175.347345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.347345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.347345 (E_RNA)
where:
Base-Base interactions energy: -113.816
where: short stacking energy: -52.001
Base-Backbone interact. energy: 3.567
local terms energy: -65.098349
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -9.141
flat angles C4'-P-C4' energy: -16.330
flat angles P-C4'-P energy: -7.962
tors. eta vs tors. theta energy: -15.201
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: 10
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -188.368861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.368861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.368861 (E_RNA)
where:
Base-Base interactions energy: -124.126
where: short stacking energy: -59.182
Base-Backbone interact. energy: -0.034
local terms energy: -64.208285
where:
bonds (distance) C4'-P energy: -11.754
bonds (distance) P-C4' energy: -10.361
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: -19.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -110.157699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.157699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.157699 (E_RNA)
where:
Base-Base interactions energy: -45.016
where: short stacking energy: -45.016
Base-Backbone interact. energy: -0.002
local terms energy: -65.139524
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -12.620
flat angles C4'-P-C4' energy: -16.757
flat angles P-C4'-P energy: -8.647
tors. eta vs tors. theta energy: -11.183
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: 9
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -89.127905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.127905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.127905 (E_RNA)
where:
Base-Base interactions energy: -34.497
where: short stacking energy: -27.231
Base-Backbone interact. energy: -0.742
local terms energy: -53.888739
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -8.512
tors. eta vs tors. theta energy: -0.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -87.872145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.872145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.872145 (E_RNA)
where:
Base-Base interactions energy: -36.159
where: short stacking energy: -36.159
Base-Backbone interact. energy: 0.180
local terms energy: -51.893231
where:
bonds (distance) C4'-P energy: -11.013
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -8.461
flat angles P-C4'-P energy: -9.405
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: 9, replica: 8
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -83.018900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.018900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.018900 (E_RNA)
where:
Base-Base interactions energy: -31.582
where: short stacking energy: -30.842
Base-Backbone interact. energy: -0.182
local terms energy: -51.254673
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -13.280
flat angles C4'-P-C4' energy: -11.169
flat angles P-C4'-P energy: -6.049
tors. eta vs tors. theta energy: -8.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -75.422109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.422109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.422109 (E_RNA)
where:
Base-Base interactions energy: -30.234
where: short stacking energy: -27.187
Base-Backbone interact. energy: -0.169
local terms energy: -45.019232
where:
bonds (distance) C4'-P energy: -13.617
bonds (distance) P-C4' energy: -10.948
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -2.968
tors. eta vs tors. theta energy: -3.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -223.345896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.345896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.345896 (E_RNA)
where:
Base-Base interactions energy: -147.218
where: short stacking energy: -77.552
Base-Backbone interact. energy: 1.273
local terms energy: -77.401151
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -15.398
flat angles C4'-P-C4' energy: -17.355
flat angles P-C4'-P energy: -9.777
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: 4
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -215.532554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.532554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.532554 (E_RNA)
where:
Base-Base interactions energy: -143.152
where: short stacking energy: -66.561
Base-Backbone interact. energy: 0.296
local terms energy: -72.675874
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -12.174
tors. eta vs tors. theta energy: -16.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -205.235114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.235114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.235114 (E_RNA)
where:
Base-Base interactions energy: -132.357
where: short stacking energy: -67.062
Base-Backbone interact. energy: -0.050
local terms energy: -72.828379
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -16.576
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -11.610
tors. eta vs tors. theta energy: -16.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -186.395196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.395196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.395196 (E_RNA)
where:
Base-Base interactions energy: -115.370
where: short stacking energy: -56.494
Base-Backbone interact. energy: -0.049
local terms energy: -70.976580
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -16.745
flat angles C4'-P-C4' energy: -10.345
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -19.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -202.017406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.017406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.017406 (E_RNA)
where:
Base-Base interactions energy: -133.771
where: short stacking energy: -66.680
Base-Backbone interact. energy: -0.001
local terms energy: -68.244984
where:
bonds (distance) C4'-P energy: -10.790
bonds (distance) P-C4' energy: -9.678
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -13.358
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: 6, replica: 3
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -101.807555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.807555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.807555 (E_RNA)
where:
Base-Base interactions energy: -32.826
where: short stacking energy: -32.826
Base-Backbone interact. energy: -0.774
local terms energy: -68.207005
where:
bonds (distance) C4'-P energy: -16.437
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -16.276
flat angles P-C4'-P energy: -9.716
tors. eta vs tors. theta energy: -11.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -89.526160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.526160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.526160 (E_RNA)
where:
Base-Base interactions energy: -27.912
where: short stacking energy: -26.110
Base-Backbone interact. energy: -0.207
local terms energy: -61.407007
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -17.532
flat angles P-C4'-P energy: -6.723
tors. eta vs tors. theta energy: -2.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -79.132429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.132429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.132429 (E_RNA)
where:
Base-Base interactions energy: -40.011
where: short stacking energy: -37.121
Base-Backbone interact. energy: -0.156
local terms energy: -38.965819
where:
bonds (distance) C4'-P energy: -10.607
bonds (distance) P-C4' energy: -10.360
flat angles C4'-P-C4' energy: -12.990
flat angles P-C4'-P energy: -0.708
tors. eta vs tors. theta energy: -4.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -78.762801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.762801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.762801 (E_RNA)
where:
Base-Base interactions energy: -28.735
where: short stacking energy: -24.748
Base-Backbone interact. energy: -1.495
local terms energy: -48.532711
where:
bonds (distance) C4'-P energy: -10.004
bonds (distance) P-C4' energy: -15.171
flat angles C4'-P-C4' energy: -15.519
flat angles P-C4'-P energy: -6.358
tors. eta vs tors. theta energy: -1.480
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: 10, replica: 8
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -78.614089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.614089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.614089 (E_RNA)
where:
Base-Base interactions energy: -28.073
where: short stacking energy: -25.510
Base-Backbone interact. energy: -0.110
local terms energy: -50.431512
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -12.290
flat angles C4'-P-C4' energy: -12.883
flat angles P-C4'-P energy: -10.292
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: 1, replica: 2
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -221.876559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.876559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.876559 (E_RNA)
where:
Base-Base interactions energy: -137.651
where: short stacking energy: -73.583
Base-Backbone interact. energy: -0.020
local terms energy: -84.206107
where:
bonds (distance) C4'-P energy: -16.635
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -17.120
flat angles P-C4'-P energy: -11.442
tors. eta vs tors. theta energy: -23.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -201.348426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.348426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.348426 (E_RNA)
where:
Base-Base interactions energy: -131.422
where: short stacking energy: -61.852
Base-Backbone interact. energy: -0.006
local terms energy: -69.920334
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -16.537
flat angles P-C4'-P energy: -11.124
tors. eta vs tors. theta energy: -13.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -211.367201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.367201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.367201 (E_RNA)
where:
Base-Base interactions energy: -136.623
where: short stacking energy: -68.497
Base-Backbone interact. energy: -0.046
local terms energy: -74.698215
where:
bonds (distance) C4'-P energy: -12.673
bonds (distance) P-C4' energy: -15.971
flat angles C4'-P-C4' energy: -16.617
flat angles P-C4'-P energy: -10.061
tors. eta vs tors. theta energy: -19.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -184.465055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.465055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.465055 (E_RNA)
where:
Base-Base interactions energy: -119.591
where: short stacking energy: -54.447
Base-Backbone interact. energy: -0.642
local terms energy: -64.232140
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -10.857
flat angles P-C4'-P energy: -8.333
tors. eta vs tors. theta energy: -12.092
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: 10
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -179.241289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.241289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.241289 (E_RNA)
where:
Base-Base interactions energy: -108.581
where: short stacking energy: -61.643
Base-Backbone interact. energy: -0.001
local terms energy: -70.659360
where:
bonds (distance) C4'-P energy: -11.204
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -17.852
flat angles P-C4'-P energy: -8.579
tors. eta vs tors. theta energy: -16.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -90.325484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.325484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.325484 (E_RNA)
where:
Base-Base interactions energy: -34.141
where: short stacking energy: -29.531
Base-Backbone interact. energy: -0.791
local terms energy: -55.393095
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -13.796
flat angles P-C4'-P energy: -12.666
tors. eta vs tors. theta energy: 0.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -87.285689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.285689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.285689 (E_RNA)
where:
Base-Base interactions energy: -45.107
where: short stacking energy: -26.729
Base-Backbone interact. energy: -0.215
local terms energy: -41.964464
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -10.395
flat angles P-C4'-P energy: -2.003
tors. eta vs tors. theta energy: 0.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -80.341361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.341361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.341361 (E_RNA)
where:
Base-Base interactions energy: -30.627
where: short stacking energy: -28.779
Base-Backbone interact. energy: -0.648
local terms energy: -49.066972
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -8.661
flat angles P-C4'-P energy: -5.927
tors. eta vs tors. theta energy: -5.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -84.407041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.407041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.407041 (E_RNA)
where:
Base-Base interactions energy: -31.636
where: short stacking energy: -21.935
Base-Backbone interact. energy: -0.151
local terms energy: -52.620204
where:
bonds (distance) C4'-P energy: -10.658
bonds (distance) P-C4' energy: -14.870
flat angles C4'-P-C4' energy: -12.077
flat angles P-C4'-P energy: -11.897
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: 8
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -73.574628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.574628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.574628 (E_RNA)
where:
Base-Base interactions energy: -38.471
where: short stacking energy: -28.503
Base-Backbone interact. energy: 1.271
local terms energy: -36.375117
where:
bonds (distance) C4'-P energy: -11.060
bonds (distance) P-C4' energy: -13.548
flat angles C4'-P-C4' energy: -9.695
flat angles P-C4'-P energy: -1.889
tors. eta vs tors. theta energy: -0.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -216.877730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.877730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.877730 (E_RNA)
where:
Base-Base interactions energy: -138.778
where: short stacking energy: -70.384
Base-Backbone interact. energy: -0.005
local terms energy: -78.094974
where:
bonds (distance) C4'-P energy: -16.284
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -12.016
flat angles P-C4'-P energy: -12.707
tors. eta vs tors. theta energy: -21.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -200.633176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.633176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.633176 (E_RNA)
where:
Base-Base interactions energy: -123.933
where: short stacking energy: -63.345
Base-Backbone interact. energy: -0.012
local terms energy: -76.687383
where:
bonds (distance) C4'-P energy: -15.688
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -13.720
flat angles P-C4'-P energy: -13.080
tors. eta vs tors. theta energy: -18.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -200.520819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.520819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.520819 (E_RNA)
where:
Base-Base interactions energy: -127.723
where: short stacking energy: -70.311
Base-Backbone interact. energy: -0.007
local terms energy: -72.791257
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -14.044
flat angles C4'-P-C4' energy: -15.588
flat angles P-C4'-P energy: -9.481
tors. eta vs tors. theta energy: -19.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -200.775960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.775960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.775960 (E_RNA)
where:
Base-Base interactions energy: -130.679
where: short stacking energy: -60.925
Base-Backbone interact. energy: -0.874
local terms energy: -69.223653
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -10.672
flat angles P-C4'-P energy: -8.084
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: 5, replica: 3
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -100.025028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.025028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.025028 (E_RNA)
where:
Base-Base interactions energy: -44.117
where: short stacking energy: -32.307
Base-Backbone interact. energy: 0.413
local terms energy: -56.321516
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -6.655
tors. eta vs tors. theta energy: -3.381
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: 10
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -174.489960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.489960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.489960 (E_RNA)
where:
Base-Base interactions energy: -111.920
where: short stacking energy: -52.147
Base-Backbone interact. energy: -0.146
local terms energy: -62.423105
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -14.311
flat angles C4'-P-C4' energy: -15.146
flat angles P-C4'-P energy: -7.830
tors. eta vs tors. theta energy: -11.022
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: 5
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -87.293850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.293850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.293850 (E_RNA)
where:
Base-Base interactions energy: -40.874
where: short stacking energy: -24.593
Base-Backbone interact. energy: -1.459
local terms energy: -44.961309
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -10.787
flat angles C4'-P-C4' energy: -12.445
flat angles P-C4'-P energy: -8.521
tors. eta vs tors. theta energy: 1.420
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: 226
Temperature: 1.250000
Total energy: -84.652431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.652431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.652431 (E_RNA)
where:
Base-Base interactions energy: -42.902
where: short stacking energy: -16.753
Base-Backbone interact. energy: -0.778
local terms energy: -40.972955
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -8.865
flat angles P-C4'-P energy: -3.356
tors. eta vs tors. theta energy: 1.275
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: 9
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -83.299902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.299902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.299902 (E_RNA)
where:
Base-Base interactions energy: -30.468
where: short stacking energy: -22.574
Base-Backbone interact. energy: -0.772
local terms energy: -52.059919
where:
bonds (distance) C4'-P energy: -14.286
bonds (distance) P-C4' energy: -11.658
flat angles C4'-P-C4' energy: -12.454
flat angles P-C4'-P energy: -6.439
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: 8
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -77.168750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.168750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.168750 (E_RNA)
where:
Base-Base interactions energy: -21.944
where: short stacking energy: -18.183
Base-Backbone interact. energy: -0.773
local terms energy: -54.452504
where:
bonds (distance) C4'-P energy: -8.961
bonds (distance) P-C4' energy: -16.566
flat angles C4'-P-C4' energy: -14.539
flat angles P-C4'-P energy: -10.467
tors. eta vs tors. theta energy: -3.919
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: 2
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -220.552741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.552741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.552741 (E_RNA)
where:
Base-Base interactions energy: -140.722
where: short stacking energy: -68.375
Base-Backbone interact. energy: 0.999
local terms energy: -80.829728
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -16.468
flat angles P-C4'-P energy: -13.876
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: 2, replica: 1
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -208.673367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.673367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.673367 (E_RNA)
where:
Base-Base interactions energy: -129.914
where: short stacking energy: -69.890
Base-Backbone interact. energy: -0.039
local terms energy: -78.720408
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -12.506
flat angles C4'-P-C4' energy: -16.543
flat angles P-C4'-P energy: -12.414
tors. eta vs tors. theta energy: -20.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -211.538809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.538809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.538809 (E_RNA)
where:
Base-Base interactions energy: -134.513
where: short stacking energy: -64.491
Base-Backbone interact. energy: -0.048
local terms energy: -76.977567
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -14.770
flat angles C4'-P-C4' energy: -16.653
flat angles P-C4'-P energy: -11.842
tors. eta vs tors. theta energy: -18.533
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: 4
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -202.453828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.453828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.453828 (E_RNA)
where:
Base-Base interactions energy: -127.036
where: short stacking energy: -68.232
Base-Backbone interact. energy: -0.127
local terms energy: -75.291066
where:
bonds (distance) C4'-P energy: -10.017
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -16.480
flat angles P-C4'-P energy: -13.639
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: 5, replica: 3
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -105.255118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.255118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.255118 (E_RNA)
where:
Base-Base interactions energy: -48.363
where: short stacking energy: -35.421
Base-Backbone interact. energy: -0.296
local terms energy: -56.596955
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -14.563
flat angles P-C4'-P energy: -8.353
tors. eta vs tors. theta energy: -5.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -176.363272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.363272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.363272 (E_RNA)
where:
Base-Base interactions energy: -108.467
where: short stacking energy: -52.266
Base-Backbone interact. energy: -0.042
local terms energy: -67.854754
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -17.235
flat angles C4'-P-C4' energy: -11.202
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: -15.186
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: 5
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -92.783239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.783239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.783239 (E_RNA)
where:
Base-Base interactions energy: -43.338
where: short stacking energy: -34.541
Base-Backbone interact. energy: -1.404
local terms energy: -48.040958
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -13.297
flat angles C4'-P-C4' energy: -8.024
flat angles P-C4'-P energy: -8.594
tors. eta vs tors. theta energy: -5.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -98.131295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.131295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.131295 (E_RNA)
where:
Base-Base interactions energy: -35.648
where: short stacking energy: -34.663
Base-Backbone interact. energy: -0.184
local terms energy: -62.299576
where:
bonds (distance) C4'-P energy: -11.833
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -8.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -90.509471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.509471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.509471 (E_RNA)
where:
Base-Base interactions energy: -31.408
where: short stacking energy: -27.534
Base-Backbone interact. energy: -0.107
local terms energy: -58.994635
where:
bonds (distance) C4'-P energy: -15.571
bonds (distance) P-C4' energy: -11.127
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -5.906
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: 8
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -73.684002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.684002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.684002 (E_RNA)
where:
Base-Base interactions energy: -29.635
where: short stacking energy: -18.795
Base-Backbone interact. energy: 0.075
local terms energy: -44.123439
where:
bonds (distance) C4'-P energy: -13.636
bonds (distance) P-C4' energy: -15.855
flat angles C4'-P-C4' energy: -10.042
flat angles P-C4'-P energy: -6.859
tors. eta vs tors. theta energy: 2.268
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: 1, replica: 1
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -229.000460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.000460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.000460 (E_RNA)
where:
Base-Base interactions energy: -144.483
where: short stacking energy: -74.893
Base-Backbone interact. energy: -0.299
local terms energy: -84.219217
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -15.509
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: 2, replica: 2
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -217.852639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.852639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.852639 (E_RNA)
where:
Base-Base interactions energy: -149.224
where: short stacking energy: -68.725
Base-Backbone interact. energy: -0.091
local terms energy: -68.537525
where:
bonds (distance) C4'-P energy: -13.011
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -9.106
tors. eta vs tors. theta energy: -15.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -213.817932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.817932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.817932 (E_RNA)
where:
Base-Base interactions energy: -141.718
where: short stacking energy: -65.285
Base-Backbone interact. energy: -0.009
local terms energy: -72.091101
where:
bonds (distance) C4'-P energy: -11.280
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -16.350
flat angles P-C4'-P energy: -7.206
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: 4, replica: 4
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -200.623425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.623425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.623425 (E_RNA)
where:
Base-Base interactions energy: -120.392
where: short stacking energy: -72.220
Base-Backbone interact. energy: -0.294
local terms energy: -79.937107
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -16.298
flat angles C4'-P-C4' energy: -15.389
flat angles P-C4'-P energy: -12.926
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: 5, replica: 10
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -188.066727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.066727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.066727 (E_RNA)
where:
Base-Base interactions energy: -126.791
where: short stacking energy: -69.761
Base-Backbone interact. energy: -0.001
local terms energy: -61.274734
where:
bonds (distance) C4'-P energy: -14.261
bonds (distance) P-C4' energy: -10.130
flat angles C4'-P-C4' energy: -9.666
flat angles P-C4'-P energy: -5.471
tors. eta vs tors. theta energy: -21.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -92.815389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.815389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.815389 (E_RNA)
where:
Base-Base interactions energy: -35.134
where: short stacking energy: -29.365
Base-Backbone interact. energy: -0.164
local terms energy: -57.517387
where:
bonds (distance) C4'-P energy: -17.364
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -8.597
tors. eta vs tors. theta energy: -3.305
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: 9
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -90.985020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.985020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.985020 (E_RNA)
where:
Base-Base interactions energy: -41.581
where: short stacking energy: -36.547
Base-Backbone interact. energy: 0.540
local terms energy: -49.944371
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -12.974
flat angles P-C4'-P energy: -2.278
tors. eta vs tors. theta energy: -3.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -93.116699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.116699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.116699 (E_RNA)
where:
Base-Base interactions energy: -41.646
where: short stacking energy: -42.032
Base-Backbone interact. energy: -0.442
local terms energy: -51.027948
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -12.519
flat angles C4'-P-C4' energy: -8.842
flat angles P-C4'-P energy: -8.417
tors. eta vs tors. theta energy: -7.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -76.497368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.497368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.497368 (E_RNA)
where:
Base-Base interactions energy: -22.526
where: short stacking energy: -22.526
Base-Backbone interact. energy: -0.102
local terms energy: -53.869692
where:
bonds (distance) C4'-P energy: -18.093
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -12.408
flat angles P-C4'-P energy: -8.019
tors. eta vs tors. theta energy: -0.823
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: 7
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -78.430011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.430011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.430011 (E_RNA)
where:
Base-Base interactions energy: -34.582
where: short stacking energy: -25.767
Base-Backbone interact. energy: -0.047
local terms energy: -43.801484
where:
bonds (distance) C4'-P energy: -10.570
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -10.896
flat angles P-C4'-P energy: -5.670
tors. eta vs tors. theta energy: 1.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -218.623294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.623294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.623294 (E_RNA)
where:
Base-Base interactions energy: -137.900
where: short stacking energy: -71.752
Base-Backbone interact. energy: -0.022
local terms energy: -80.700662
where:
bonds (distance) C4'-P energy: -16.732
bonds (distance) P-C4' energy: -12.414
flat angles C4'-P-C4' energy: -17.745
flat angles P-C4'-P energy: -12.943
tors. eta vs tors. theta energy: -20.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -213.186684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.186684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.186684 (E_RNA)
where:
Base-Base interactions energy: -137.043
where: short stacking energy: -70.863
Base-Backbone interact. energy: -0.004
local terms energy: -76.140084
where:
bonds (distance) C4'-P energy: -9.931
bonds (distance) P-C4' energy: -17.865
flat angles C4'-P-C4' energy: -18.621
flat angles P-C4'-P energy: -10.407
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: 2
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -214.140516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.140516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.140516 (E_RNA)
where:
Base-Base interactions energy: -140.917
where: short stacking energy: -65.242
Base-Backbone interact. energy: -0.013
local terms energy: -73.211236
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -15.076
flat angles P-C4'-P energy: -9.512
tors. eta vs tors. theta energy: -19.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -190.692813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.692813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.692813 (E_RNA)
where:
Base-Base interactions energy: -123.701
where: short stacking energy: -55.430
Base-Backbone interact. energy: -0.126
local terms energy: -66.866402
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -13.398
flat angles C4'-P-C4' energy: -15.746
flat angles P-C4'-P energy: -11.006
tors. eta vs tors. theta energy: -14.273
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: 4
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -178.346675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.346675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.346675 (E_RNA)
where:
Base-Base interactions energy: -115.630
where: short stacking energy: -48.857
Base-Backbone interact. energy: -0.046
local terms energy: -62.670563
where:
bonds (distance) C4'-P energy: -11.951
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -13.444
flat angles P-C4'-P energy: -4.823
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: 6, replica: 9
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -111.807531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.807531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.807531 (E_RNA)
where:
Base-Base interactions energy: -51.078
where: short stacking energy: -44.388
Base-Backbone interact. energy: -0.115
local terms energy: -60.614669
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -13.593
flat angles P-C4'-P energy: -8.560
tors. eta vs tors. theta energy: -9.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -84.436997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.436997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.436997 (E_RNA)
where:
Base-Base interactions energy: -24.548
where: short stacking energy: -23.354
Base-Backbone interact. energy: -0.213
local terms energy: -59.676299
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -12.629
flat angles C4'-P-C4' energy: -16.345
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -7.569
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: 8
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -110.758267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.758267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.758267 (E_RNA)
where:
Base-Base interactions energy: -66.374
where: short stacking energy: -30.245
Base-Backbone interact. energy: -1.384
local terms energy: -42.999886
where:
bonds (distance) C4'-P energy: -10.170
bonds (distance) P-C4' energy: -15.088
flat angles C4'-P-C4' energy: -10.973
flat angles P-C4'-P energy: -7.722
tors. eta vs tors. theta energy: 0.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -86.317402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.317402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.317402 (E_RNA)
where:
Base-Base interactions energy: -31.589
where: short stacking energy: -30.831
Base-Backbone interact. energy: 0.214
local terms energy: -54.942320
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -13.858
flat angles C4'-P-C4' energy: -10.602
flat angles P-C4'-P energy: -9.704
tors. eta vs tors. theta energy: -6.693
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: 7
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -68.168879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.168879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.168879 (E_RNA)
where:
Base-Base interactions energy: -24.943
where: short stacking energy: -21.272
Base-Backbone interact. energy: -0.091
local terms energy: -43.135438
where:
bonds (distance) C4'-P energy: -13.876
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -9.372
flat angles P-C4'-P energy: -4.531
tors. eta vs tors. theta energy: -1.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -223.456332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.456332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.456332 (E_RNA)
where:
Base-Base interactions energy: -147.416
where: short stacking energy: -70.177
Base-Backbone interact. energy: -0.017
local terms energy: -76.023211
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -17.386
flat angles P-C4'-P energy: -10.189
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: 2, replica: 1
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -215.164082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.164082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.164082 (E_RNA)
where:
Base-Base interactions energy: -141.141
where: short stacking energy: -73.087
Base-Backbone interact. energy: -0.034
local terms energy: -73.989326
where:
bonds (distance) C4'-P energy: -15.007
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: -18.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -211.861484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.861484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.861484 (E_RNA)
where:
Base-Base interactions energy: -138.548
where: short stacking energy: -68.930
Base-Backbone interact. energy: -0.001
local terms energy: -73.312348
where:
bonds (distance) C4'-P energy: -10.438
bonds (distance) P-C4' energy: -17.852
flat angles C4'-P-C4' energy: -16.846
flat angles P-C4'-P energy: -6.996
tors. eta vs tors. theta energy: -21.180
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: 4, replica: 10
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -189.676870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.676870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.676870 (E_RNA)
where:
Base-Base interactions energy: -120.209
where: short stacking energy: -54.915
Base-Backbone interact. energy: -0.169
local terms energy: -69.299079
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: -16.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -210.136749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.136749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.136749 (E_RNA)
where:
Base-Base interactions energy: -138.212
where: short stacking energy: -67.509
Base-Backbone interact. energy: -0.306
local terms energy: -71.618818
where:
bonds (distance) C4'-P energy: -11.052
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -12.023
flat angles P-C4'-P energy: -14.631
tors. eta vs tors. theta energy: -19.167
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: 9
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -109.479500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.479500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.479500 (E_RNA)
where:
Base-Base interactions energy: -52.526
where: short stacking energy: -40.504
Base-Backbone interact. energy: 0.154
local terms energy: -57.108227
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -12.703
flat angles C4'-P-C4' energy: -13.022
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -9.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -106.388437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.388437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.388437 (E_RNA)
where:
Base-Base interactions energy: -51.541
where: short stacking energy: -30.030
Base-Backbone interact. energy: 0.592
local terms energy: -55.439683
where:
bonds (distance) C4'-P energy: -16.922
bonds (distance) P-C4' energy: -18.489
flat angles C4'-P-C4' energy: -11.576
flat angles P-C4'-P energy: -6.083
tors. eta vs tors. theta energy: -2.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -99.535246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.535246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.535246 (E_RNA)
where:
Base-Base interactions energy: -37.771
where: short stacking energy: -35.705
Base-Backbone interact. energy: -0.109
local terms energy: -61.655354
where:
bonds (distance) C4'-P energy: -14.150
bonds (distance) P-C4' energy: -14.168
flat angles C4'-P-C4' energy: -15.878
flat angles P-C4'-P energy: -5.678
tors. eta vs tors. theta energy: -11.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -79.430378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.430378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.430378 (E_RNA)
where:
Base-Base interactions energy: -27.661
where: short stacking energy: -27.661
Base-Backbone interact. energy: -0.419
local terms energy: -51.350054
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -11.760
flat angles C4'-P-C4' energy: -12.407
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: -5.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -72.824143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.824143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.824143 (E_RNA)
where:
Base-Base interactions energy: -22.770
where: short stacking energy: -12.579
Base-Backbone interact. energy: -0.301
local terms energy: -49.753403
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -15.367
flat angles P-C4'-P energy: -5.787
tors. eta vs tors. theta energy: -0.563
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: 6
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -217.733154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.733154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.733154 (E_RNA)
where:
Base-Base interactions energy: -137.125
where: short stacking energy: -68.696
Base-Backbone interact. energy: 0.093
local terms energy: -80.701527
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -17.482
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -12.418
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: 2, replica: 1
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -205.448915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.448915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.448915 (E_RNA)
where:
Base-Base interactions energy: -128.101
where: short stacking energy: -61.001
Base-Backbone interact. energy: -0.006
local terms energy: -77.342232
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -15.546
flat angles C4'-P-C4' energy: -16.861
flat angles P-C4'-P energy: -12.600
tors. eta vs tors. theta energy: -18.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -195.374885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.374885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.374885 (E_RNA)
where:
Base-Base interactions energy: -122.147
where: short stacking energy: -62.588
Base-Backbone interact. energy: -0.152
local terms energy: -73.075876
where:
bonds (distance) C4'-P energy: -9.509
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -16.398
flat angles P-C4'-P energy: -11.797
tors. eta vs tors. theta energy: -18.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -200.298482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.298482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.298482 (E_RNA)
where:
Base-Base interactions energy: -127.991
where: short stacking energy: -67.895
Base-Backbone interact. energy: 0.234
local terms energy: -72.541787
where:
bonds (distance) C4'-P energy: -10.721
bonds (distance) P-C4' energy: -12.291
flat angles C4'-P-C4' energy: -16.308
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: -21.760
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: 5, replica: 10
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -181.307157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.307157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.307157 (E_RNA)
where:
Base-Base interactions energy: -114.161
where: short stacking energy: -49.977
Base-Backbone interact. energy: -0.134
local terms energy: -67.011403
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -16.527
flat angles P-C4'-P energy: -7.328
tors. eta vs tors. theta energy: -14.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -109.101809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.101809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.101809 (E_RNA)
where:
Base-Base interactions energy: -56.304
where: short stacking energy: -34.078
Base-Backbone interact. energy: -0.114
local terms energy: -52.683902
where:
bonds (distance) C4'-P energy: -12.980
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -12.802
flat angles P-C4'-P energy: -8.790
tors. eta vs tors. theta energy: -3.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -91.487738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.487738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.487738 (E_RNA)
where:
Base-Base interactions energy: -39.591
where: short stacking energy: -30.404
Base-Backbone interact. energy: -1.042
local terms energy: -50.854343
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -11.442
flat angles C4'-P-C4' energy: -11.596
flat angles P-C4'-P energy: -7.697
tors. eta vs tors. theta energy: -3.913
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: 3
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -84.464212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.464212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.464212 (E_RNA)
where:
Base-Base interactions energy: -30.744
where: short stacking energy: -30.744
Base-Backbone interact. energy: -0.127
local terms energy: -53.593259
where:
bonds (distance) C4'-P energy: -13.523
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -14.126
flat angles P-C4'-P energy: -4.394
tors. eta vs tors. theta energy: -6.932
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: 7
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -76.430167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.430167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.430167 (E_RNA)
where:
Base-Base interactions energy: -29.881
where: short stacking energy: -28.660
Base-Backbone interact. energy: 1.940
local terms energy: -48.488992
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -11.786
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -6.276
tors. eta vs tors. theta energy: -3.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -66.148675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.148675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.148675 (E_RNA)
where:
Base-Base interactions energy: -22.288
where: short stacking energy: -10.233
Base-Backbone interact. energy: -0.276
local terms energy: -43.584417
where:
bonds (distance) C4'-P energy: -9.506
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -10.708
flat angles P-C4'-P energy: -10.082
tors. eta vs tors. theta energy: 0.004
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: 1, replica: 6
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -226.232730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.232730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.232730 (E_RNA)
where:
Base-Base interactions energy: -144.904
where: short stacking energy: -76.643
Base-Backbone interact. energy: -0.310
local terms energy: -81.019015
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -15.654
flat angles C4'-P-C4' energy: -17.025
flat angles P-C4'-P energy: -13.079
tors. eta vs tors. theta energy: -22.734
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: 1
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -213.000859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.000859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.000859 (E_RNA)
where:
Base-Base interactions energy: -137.370
where: short stacking energy: -71.529
Base-Backbone interact. energy: -0.005
local terms energy: -75.625823
where:
bonds (distance) C4'-P energy: -8.841
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -17.329
flat angles P-C4'-P energy: -10.278
tors. eta vs tors. theta energy: -21.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -217.903486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.903486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.903486 (E_RNA)
where:
Base-Base interactions energy: -139.970
where: short stacking energy: -76.016
Base-Backbone interact. energy: -0.002
local terms energy: -77.931970
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -11.393
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -13.479
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: 2
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -209.915396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.915396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.915396 (E_RNA)
where:
Base-Base interactions energy: -134.271
where: short stacking energy: -66.991
Base-Backbone interact. energy: -0.068
local terms energy: -75.576142
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -19.134
flat angles C4'-P-C4' energy: -13.826
flat angles P-C4'-P energy: -10.483
tors. eta vs tors. theta energy: -18.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -178.965740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.965740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.965740 (E_RNA)
where:
Base-Base interactions energy: -111.976
where: short stacking energy: -52.822
Base-Backbone interact. energy: -0.213
local terms energy: -66.777349
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -13.659
flat angles C4'-P-C4' energy: -15.367
flat angles P-C4'-P energy: -9.796
tors. eta vs tors. theta energy: -14.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -125.543237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.543237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.543237 (E_RNA)
where:
Base-Base interactions energy: -71.272
where: short stacking energy: -46.013
Base-Backbone interact. energy: -0.311
local terms energy: -53.960078
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -10.710
flat angles P-C4'-P energy: -10.274
tors. eta vs tors. theta energy: -6.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -89.530010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.530010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.530010 (E_RNA)
where:
Base-Base interactions energy: -29.515
where: short stacking energy: -29.515
Base-Backbone interact. energy: -0.076
local terms energy: -59.939206
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -8.871
flat angles P-C4'-P energy: -13.529
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: 8, replica: 3
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -101.676882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.676882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.676882 (E_RNA)
where:
Base-Base interactions energy: -57.925
where: short stacking energy: -37.452
Base-Backbone interact. energy: -0.386
local terms energy: -43.365906
where:
bonds (distance) C4'-P energy: -9.594
bonds (distance) P-C4' energy: -11.493
flat angles C4'-P-C4' energy: -13.201
flat angles P-C4'-P energy: -9.119
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: 9, replica: 5
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -88.276377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.276377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.276377 (E_RNA)
where:
Base-Base interactions energy: -33.822
where: short stacking energy: -33.822
Base-Backbone interact. energy: 1.376
local terms energy: -55.830230
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -11.524
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -6.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -76.618065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.618065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.618065 (E_RNA)
where:
Base-Base interactions energy: -33.851
where: short stacking energy: -33.450
Base-Backbone interact. energy: -0.149
local terms energy: -42.618210
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -7.827
flat angles P-C4'-P energy: -6.245
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: 1, replica: 6
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -223.741700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.741700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.741700 (E_RNA)
where:
Base-Base interactions energy: -140.759
where: short stacking energy: -75.920
Base-Backbone interact. energy: -0.290
local terms energy: -82.692580
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -17.450
flat angles P-C4'-P energy: -9.345
tors. eta vs tors. theta energy: -22.893
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: 2, replica: 4
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -213.252862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.252862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.252862 (E_RNA)
where:
Base-Base interactions energy: -139.803
where: short stacking energy: -74.508
Base-Backbone interact. energy: -0.244
local terms energy: -73.206306
where:
bonds (distance) C4'-P energy: -11.628
bonds (distance) P-C4' energy: -12.607
flat angles C4'-P-C4' energy: -16.380
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -21.758
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: 1
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -206.080692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.080692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.080692 (E_RNA)
where:
Base-Base interactions energy: -132.251
where: short stacking energy: -62.190
Base-Backbone interact. energy: -0.013
local terms energy: -73.817211
where:
bonds (distance) C4'-P energy: -13.526
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -16.023
flat angles P-C4'-P energy: -9.988
tors. eta vs tors. theta energy: -18.673
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: 233
Temperature: 1.050000
Total energy: -204.216395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.216395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.216395 (E_RNA)
where:
Base-Base interactions energy: -126.680
where: short stacking energy: -59.987
Base-Backbone interact. energy: -0.188
local terms energy: -77.347636
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -16.906
flat angles P-C4'-P energy: -11.979
tors. eta vs tors. theta energy: -16.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -179.441178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.441178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.441178 (E_RNA)
where:
Base-Base interactions energy: -115.388
where: short stacking energy: -55.459
Base-Backbone interact. energy: -0.191
local terms energy: -63.862237
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -13.854
flat angles C4'-P-C4' energy: -13.535
flat angles P-C4'-P energy: -7.710
tors. eta vs tors. theta energy: -14.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -121.409161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.409161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.409161 (E_RNA)
where:
Base-Base interactions energy: -65.567
where: short stacking energy: -38.134
Base-Backbone interact. energy: -0.383
local terms energy: -55.459666
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -8.796
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: -4.731
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: 9
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -95.812765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.812765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.812765 (E_RNA)
where:
Base-Base interactions energy: -36.375
where: short stacking energy: -36.375
Base-Backbone interact. energy: -0.034
local terms energy: -59.403070
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -10.994
flat angles P-C4'-P energy: -9.914
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: 8, replica: 5
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -81.772312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.772312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.772312 (E_RNA)
where:
Base-Base interactions energy: -37.582
where: short stacking energy: -22.369
Base-Backbone interact. energy: -0.244
local terms energy: -43.946895
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -8.862
flat angles C4'-P-C4' energy: -14.038
flat angles P-C4'-P energy: -5.349
tors. eta vs tors. theta energy: -1.406
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: 3
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -75.570361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.570361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.570361 (E_RNA)
where:
Base-Base interactions energy: -32.508
where: short stacking energy: -27.675
Base-Backbone interact. energy: -0.215
local terms energy: -42.847692
where:
bonds (distance) C4'-P energy: -11.686
bonds (distance) P-C4' energy: -7.526
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -6.434
tors. eta vs tors. theta energy: -3.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -95.648511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.648511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.648511 (E_RNA)
where:
Base-Base interactions energy: -48.885
where: short stacking energy: -38.239
Base-Backbone interact. energy: 3.131
local terms energy: -49.893852
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -13.709
flat angles C4'-P-C4' energy: -12.655
flat angles P-C4'-P energy: -9.683
tors. eta vs tors. theta energy: -0.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -221.566161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.566161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.566161 (E_RNA)
where:
Base-Base interactions energy: -142.765
where: short stacking energy: -66.553
Base-Backbone interact. energy: -0.369
local terms energy: -78.431979
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -17.306
flat angles P-C4'-P energy: -12.472
tors. eta vs tors. theta energy: -18.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -220.889939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.889939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.889939 (E_RNA)
where:
Base-Base interactions energy: -139.859
where: short stacking energy: -72.939
Base-Backbone interact. energy: -0.088
local terms energy: -80.942713
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -15.452
flat angles P-C4'-P energy: -13.142
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: 3, replica: 2
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -200.341019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.341019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.341019 (E_RNA)
where:
Base-Base interactions energy: -132.495
where: short stacking energy: -65.182
Base-Backbone interact. energy: -0.005
local terms energy: -67.840779
where:
bonds (distance) C4'-P energy: -11.001
bonds (distance) P-C4' energy: -11.734
flat angles C4'-P-C4' energy: -16.907
flat angles P-C4'-P energy: -9.173
tors. eta vs tors. theta energy: -19.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -203.369794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.369794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.369794 (E_RNA)
where:
Base-Base interactions energy: -132.271
where: short stacking energy: -69.573
Base-Backbone interact. energy: -0.026
local terms energy: -71.073289
where:
bonds (distance) C4'-P energy: -8.560
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -11.612
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: 5, replica: 10
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -178.408062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.408062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.408062 (E_RNA)
where:
Base-Base interactions energy: -115.000
where: short stacking energy: -50.668
Base-Backbone interact. energy: -0.263
local terms energy: -63.144901
where:
bonds (distance) C4'-P energy: -10.796
bonds (distance) P-C4' energy: -14.175
flat angles C4'-P-C4' energy: -13.097
flat angles P-C4'-P energy: -14.720
tors. eta vs tors. theta energy: -10.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -95.195318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.195318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.195318 (E_RNA)
where:
Base-Base interactions energy: -48.781
where: short stacking energy: -28.027
Base-Backbone interact. energy: -0.740
local terms energy: -45.673913
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -11.846
flat angles C4'-P-C4' energy: -9.337
flat angles P-C4'-P energy: -8.931
tors. eta vs tors. theta energy: -0.464
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: 5
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -80.748608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.748608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.748608 (E_RNA)
where:
Base-Base interactions energy: -29.078
where: short stacking energy: -29.078
Base-Backbone interact. energy: -0.038
local terms energy: -51.633119
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -11.676
flat angles P-C4'-P energy: -8.575
tors. eta vs tors. theta energy: -1.057
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: 9
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -81.976670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.976670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.976670 (E_RNA)
where:
Base-Base interactions energy: -26.543
where: short stacking energy: -24.951
Base-Backbone interact. energy: 2.130
local terms energy: -57.564308
where:
bonds (distance) C4'-P energy: -16.372
bonds (distance) P-C4' energy: -8.665
flat angles C4'-P-C4' energy: -17.015
flat angles P-C4'-P energy: -10.824
tors. eta vs tors. theta energy: -4.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -86.403387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.403387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.403387 (E_RNA)
where:
Base-Base interactions energy: -26.372
where: short stacking energy: -22.839
Base-Backbone interact. energy: -0.107
local terms energy: -59.924330
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -13.169
flat angles P-C4'-P energy: -11.520
tors. eta vs tors. theta energy: -2.912
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: 10, replica: 7
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -70.976555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.976555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.976555 (E_RNA)
where:
Base-Base interactions energy: -26.244
where: short stacking energy: -21.075
Base-Backbone interact. energy: -0.580
local terms energy: -44.152626
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -10.096
flat angles C4'-P-C4' energy: -9.363
flat angles P-C4'-P energy: -8.490
tors. eta vs tors. theta energy: -3.040
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: 4
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -225.488216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.488216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.488216 (E_RNA)
where:
Base-Base interactions energy: -147.749
where: short stacking energy: -77.216
Base-Backbone interact. energy: -0.014
local terms energy: -77.725165
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -12.919
flat angles C4'-P-C4' energy: -17.833
flat angles P-C4'-P energy: -10.343
tors. eta vs tors. theta energy: -21.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -205.752652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.752652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.752652 (E_RNA)
where:
Base-Base interactions energy: -129.755
where: short stacking energy: -69.310
Base-Backbone interact. energy: -0.018
local terms energy: -75.979723
where:
bonds (distance) C4'-P energy: -16.160
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -11.927
tors. eta vs tors. theta energy: -18.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -220.048018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.048018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.048018 (E_RNA)
where:
Base-Base interactions energy: -141.094
where: short stacking energy: -71.272
Base-Backbone interact. energy: -0.059
local terms energy: -78.895405
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -17.824
flat angles P-C4'-P energy: -12.053
tors. eta vs tors. theta energy: -22.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -198.642740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.642740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.642740 (E_RNA)
where:
Base-Base interactions energy: -125.984
where: short stacking energy: -54.302
Base-Backbone interact. energy: -0.062
local terms energy: -72.596743
where:
bonds (distance) C4'-P energy: -10.944
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -16.136
flat angles P-C4'-P energy: -8.511
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: 1
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -189.262078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.262078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.262078 (E_RNA)
where:
Base-Base interactions energy: -126.089
where: short stacking energy: -61.680
Base-Backbone interact. energy: -0.089
local terms energy: -63.084724
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -11.774
flat angles C4'-P-C4' energy: -12.004
flat angles P-C4'-P energy: -11.595
tors. eta vs tors. theta energy: -15.046
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: 5
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -102.969137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.969137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.969137 (E_RNA)
where:
Base-Base interactions energy: -43.327
where: short stacking energy: -37.374
Base-Backbone interact. energy: -0.313
local terms energy: -59.328789
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -10.564
tors. eta vs tors. theta energy: -4.579
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: 8
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -95.636966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.636966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.636966 (E_RNA)
where:
Base-Base interactions energy: -41.024
where: short stacking energy: -40.907
Base-Backbone interact. energy: -0.679
local terms energy: -53.933596
where:
bonds (distance) C4'-P energy: -9.190
bonds (distance) P-C4' energy: -13.223
flat angles C4'-P-C4' energy: -11.460
flat angles P-C4'-P energy: -9.482
tors. eta vs tors. theta energy: -10.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -81.488528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.488528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.488528 (E_RNA)
where:
Base-Base interactions energy: -30.739
where: short stacking energy: -30.739
Base-Backbone interact. energy: -0.047
local terms energy: -50.702611
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -9.281
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: -5.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -85.441642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.441642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.441642 (E_RNA)
where:
Base-Base interactions energy: -46.971
where: short stacking energy: -22.893
Base-Backbone interact. energy: -1.076
local terms energy: -37.393942
where:
bonds (distance) C4'-P energy: -8.344
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -10.806
flat angles P-C4'-P energy: -7.080
tors. eta vs tors. theta energy: 3.619
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: 235
Temperature: 1.350000
Total energy: -71.238998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.238998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.238998 (E_RNA)
where:
Base-Base interactions energy: -29.599
where: short stacking energy: -29.699
Base-Backbone interact. energy: -0.755
local terms energy: -40.885076
where:
bonds (distance) C4'-P energy: -11.160
bonds (distance) P-C4' energy: -12.403
flat angles C4'-P-C4' energy: -5.744
flat angles P-C4'-P energy: -5.316
tors. eta vs tors. theta energy: -6.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -219.266074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.266074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.266074 (E_RNA)
where:
Base-Base interactions energy: -142.188
where: short stacking energy: -71.212
Base-Backbone interact. energy: -0.213
local terms energy: -76.865709
where:
bonds (distance) C4'-P energy: -15.633
bonds (distance) P-C4' energy: -15.087
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -11.748
tors. eta vs tors. theta energy: -20.236
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: 4
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -216.206680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.206680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.206680 (E_RNA)
where:
Base-Base interactions energy: -146.565
where: short stacking energy: -74.424
Base-Backbone interact. energy: -0.082
local terms energy: -69.559106
where:
bonds (distance) C4'-P energy: -11.470
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -16.706
flat angles P-C4'-P energy: -4.224
tors. eta vs tors. theta energy: -22.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -200.756604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.756604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.756604 (E_RNA)
where:
Base-Base interactions energy: -124.713
where: short stacking energy: -66.963
Base-Backbone interact. energy: -0.028
local terms energy: -76.016186
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -13.377
tors. eta vs tors. theta energy: -16.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -208.741138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.741138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.741138 (E_RNA)
where:
Base-Base interactions energy: -130.724
where: short stacking energy: -68.478
Base-Backbone interact. energy: -0.904
local terms energy: -77.112803
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -15.365
flat angles C4'-P-C4' energy: -14.029
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: -20.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -175.836520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.836520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.836520 (E_RNA)
where:
Base-Base interactions energy: -112.895
where: short stacking energy: -50.734
Base-Backbone interact. energy: -0.012
local terms energy: -62.929734
where:
bonds (distance) C4'-P energy: -12.491
bonds (distance) P-C4' energy: -14.468
flat angles C4'-P-C4' energy: -15.505
flat angles P-C4'-P energy: -7.131
tors. eta vs tors. theta energy: -13.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -106.801044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.801044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.801044 (E_RNA)
where:
Base-Base interactions energy: -47.004
where: short stacking energy: -34.438
Base-Backbone interact. energy: -0.130
local terms energy: -59.667641
where:
bonds (distance) C4'-P energy: -11.182
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -14.265
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: -9.935
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: 3
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -91.358002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.358002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.358002 (E_RNA)
where:
Base-Base interactions energy: -42.228
where: short stacking energy: -31.074
Base-Backbone interact. energy: -0.056
local terms energy: -49.073847
where:
bonds (distance) C4'-P energy: -14.011
bonds (distance) P-C4' energy: -8.544
flat angles C4'-P-C4' energy: -12.395
flat angles P-C4'-P energy: -12.708
tors. eta vs tors. theta energy: -1.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -85.677443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.677443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.677443 (E_RNA)
where:
Base-Base interactions energy: -37.288
where: short stacking energy: -25.539
Base-Backbone interact. energy: -0.254
local terms energy: -48.135952
where:
bonds (distance) C4'-P energy: -10.401
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -11.463
flat angles P-C4'-P energy: -11.305
tors. eta vs tors. theta energy: -1.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -81.385467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.385467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.385467 (E_RNA)
where:
Base-Base interactions energy: -32.108
where: short stacking energy: -26.503
Base-Backbone interact. energy: -0.074
local terms energy: -49.203204
where:
bonds (distance) C4'-P energy: -10.046
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -14.260
flat angles P-C4'-P energy: -7.698
tors. eta vs tors. theta energy: -4.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -94.643082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.643082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.643082 (E_RNA)
where:
Base-Base interactions energy: -46.634
where: short stacking energy: -33.815
Base-Backbone interact. energy: -0.036
local terms energy: -47.973449
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -10.379
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: -2.528
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: 1, replica: 2
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -221.272564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.272564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.272564 (E_RNA)
where:
Base-Base interactions energy: -141.513
where: short stacking energy: -73.744
Base-Backbone interact. energy: 0.471
local terms energy: -80.230157
where:
bonds (distance) C4'-P energy: -16.972
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -13.489
tors. eta vs tors. theta energy: -18.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -226.094924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.094924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.094924 (E_RNA)
where:
Base-Base interactions energy: -143.418
where: short stacking energy: -70.207
Base-Backbone interact. energy: -0.456
local terms energy: -82.220716
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -17.128
flat angles P-C4'-P energy: -11.963
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: 10
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -193.704605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.704605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.704605 (E_RNA)
where:
Base-Base interactions energy: -127.684
where: short stacking energy: -65.313
Base-Backbone interact. energy: -0.234
local terms energy: -65.786146
where:
bonds (distance) C4'-P energy: -14.737
bonds (distance) P-C4' energy: -14.378
flat angles C4'-P-C4' energy: -16.191
flat angles P-C4'-P energy: -6.675
tors. eta vs tors. theta energy: -13.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -185.764478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.764478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.764478 (E_RNA)
where:
Base-Base interactions energy: -125.233
where: short stacking energy: -55.687
Base-Backbone interact. energy: -0.028
local terms energy: -60.503375
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -10.616
flat angles C4'-P-C4' energy: -12.711
flat angles P-C4'-P energy: -8.378
tors. eta vs tors. theta energy: -15.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -188.905718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.905718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.905718 (E_RNA)
where:
Base-Base interactions energy: -125.871
where: short stacking energy: -60.178
Base-Backbone interact. energy: -0.172
local terms energy: -62.862479
where:
bonds (distance) C4'-P energy: -11.913
bonds (distance) P-C4' energy: -11.596
flat angles C4'-P-C4' energy: -11.935
flat angles P-C4'-P energy: -10.063
tors. eta vs tors. theta energy: -17.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -100.786170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.786170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.786170 (E_RNA)
where:
Base-Base interactions energy: -47.352
where: short stacking energy: -19.622
Base-Backbone interact. energy: -0.287
local terms energy: -53.146967
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -17.792
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: 1.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -88.346118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.346118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.346118 (E_RNA)
where:
Base-Base interactions energy: -41.288
where: short stacking energy: -26.467
Base-Backbone interact. energy: 2.276
local terms energy: -49.333937
where:
bonds (distance) C4'-P energy: -10.070
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -10.917
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: -3.821
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: 7
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -83.965677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.965677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.965677 (E_RNA)
where:
Base-Base interactions energy: -34.561
where: short stacking energy: -33.882
Base-Backbone interact. energy: 0.131
local terms energy: -49.535583
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -12.424
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -7.635
tors. eta vs tors. theta energy: -1.254
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: 8
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -78.776239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.776239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.776239 (E_RNA)
where:
Base-Base interactions energy: -25.794
where: short stacking energy: -25.304
Base-Backbone interact. energy: -0.049
local terms energy: -52.933762
where:
bonds (distance) C4'-P energy: -15.393
bonds (distance) P-C4' energy: -16.982
flat angles C4'-P-C4' energy: -13.320
flat angles P-C4'-P energy: -3.385
tors. eta vs tors. theta energy: -3.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -74.206302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.206302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.206302 (E_RNA)
where:
Base-Base interactions energy: -23.478
where: short stacking energy: -21.687
Base-Backbone interact. energy: -0.848
local terms energy: -49.880274
where:
bonds (distance) C4'-P energy: -9.524
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -10.475
flat angles P-C4'-P energy: -8.567
tors. eta vs tors. theta energy: -4.786
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: 4
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -216.899240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.899240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.899240 (E_RNA)
where:
Base-Base interactions energy: -145.211
where: short stacking energy: -65.829
Base-Backbone interact. energy: -0.265
local terms energy: -71.423197
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -16.822
flat angles C4'-P-C4' energy: -14.089
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -17.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -225.193721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.193721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.193721 (E_RNA)
where:
Base-Base interactions energy: -146.933
where: short stacking energy: -73.579
Base-Backbone interact. energy: -1.276
local terms energy: -76.984333
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -14.579
flat angles C4'-P-C4' energy: -15.624
flat angles P-C4'-P energy: -13.571
tors. eta vs tors. theta energy: -19.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -194.951288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.951288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.951288 (E_RNA)
where:
Base-Base interactions energy: -118.192
where: short stacking energy: -57.203
Base-Backbone interact. energy: -0.422
local terms energy: -76.337925
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -18.334
flat angles P-C4'-P energy: -10.930
tors. eta vs tors. theta energy: -16.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -193.822765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.822765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.822765 (E_RNA)
where:
Base-Base interactions energy: -122.298
where: short stacking energy: -57.215
Base-Backbone interact. energy: -0.066
local terms energy: -71.458735
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -12.655
flat angles C4'-P-C4' energy: -17.230
flat angles P-C4'-P energy: -8.575
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: 6
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -198.546992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.546992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.546992 (E_RNA)
where:
Base-Base interactions energy: -132.712
where: short stacking energy: -58.129
Base-Backbone interact. energy: -0.032
local terms energy: -65.802796
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -12.329
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -10.180
tors. eta vs tors. theta energy: -14.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -101.324357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.324357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.324357 (E_RNA)
where:
Base-Base interactions energy: -46.175
where: short stacking energy: -46.175
Base-Backbone interact. energy: -0.083
local terms energy: -55.065785
where:
bonds (distance) C4'-P energy: -11.165
bonds (distance) P-C4' energy: -8.325
flat angles C4'-P-C4' energy: -9.570
flat angles P-C4'-P energy: -8.494
tors. eta vs tors. theta energy: -17.512
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: 7, replica: 7
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -92.512475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.512475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.512475 (E_RNA)
where:
Base-Base interactions energy: -44.290
where: short stacking energy: -26.224
Base-Backbone interact. energy: -0.413
local terms energy: -47.809409
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -13.650
flat angles C4'-P-C4' energy: -13.667
flat angles P-C4'-P energy: -7.166
tors. eta vs tors. theta energy: 0.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -89.332524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.332524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.332524 (E_RNA)
where:
Base-Base interactions energy: -41.996
where: short stacking energy: -28.026
Base-Backbone interact. energy: -0.171
local terms energy: -47.166377
where:
bonds (distance) C4'-P energy: -16.914
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -6.641
flat angles P-C4'-P energy: -7.954
tors. eta vs tors. theta energy: 0.295
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: 9
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -79.382412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.382412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.382412 (E_RNA)
where:
Base-Base interactions energy: -28.098
where: short stacking energy: -24.305
Base-Backbone interact. energy: -0.238
local terms energy: -51.046509
where:
bonds (distance) C4'-P energy: -11.724
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -12.626
flat angles P-C4'-P energy: -7.581
tors. eta vs tors. theta energy: -3.627
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: 8
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -75.276234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.276234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.276234 (E_RNA)
where:
Base-Base interactions energy: -27.603
where: short stacking energy: -24.412
Base-Backbone interact. energy: 0.205
local terms energy: -47.878649
where:
bonds (distance) C4'-P energy: -10.426
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -8.322
flat angles P-C4'-P energy: -8.264
tors. eta vs tors. theta energy: -5.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -218.192541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.192541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.192541 (E_RNA)
where:
Base-Base interactions energy: -139.388
where: short stacking energy: -72.414
Base-Backbone interact. energy: 1.619
local terms energy: -80.423054
where:
bonds (distance) C4'-P energy: -13.042
bonds (distance) P-C4' energy: -18.135
flat angles C4'-P-C4' energy: -17.999
flat angles P-C4'-P energy: -9.119
tors. eta vs tors. theta energy: -22.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -214.885424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.885424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.885424 (E_RNA)
where:
Base-Base interactions energy: -138.453
where: short stacking energy: -71.801
Base-Backbone interact. energy: -0.004
local terms energy: -76.428330
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -15.887
flat angles P-C4'-P energy: -10.653
tors. eta vs tors. theta energy: -21.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -200.856048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.856048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.856048 (E_RNA)
where:
Base-Base interactions energy: -132.963
where: short stacking energy: -66.797
Base-Backbone interact. energy: -0.228
local terms energy: -67.664839
where:
bonds (distance) C4'-P energy: -11.642
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -16.287
flat angles P-C4'-P energy: -7.994
tors. eta vs tors. theta energy: -19.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -209.397839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.397839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.397839 (E_RNA)
where:
Base-Base interactions energy: -137.426
where: short stacking energy: -66.351
Base-Backbone interact. energy: -0.703
local terms energy: -71.269458
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -12.654
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -11.359
tors. eta vs tors. theta energy: -17.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -203.390969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.390969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.390969 (E_RNA)
where:
Base-Base interactions energy: -128.611
where: short stacking energy: -69.525
Base-Backbone interact. energy: -0.001
local terms energy: -74.779007
where:
bonds (distance) C4'-P energy: -14.065
bonds (distance) P-C4' energy: -16.925
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -10.814
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: 6, replica: 7
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -126.200826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.200826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.200826 (E_RNA)
where:
Base-Base interactions energy: -68.343
where: short stacking energy: -35.654
Base-Backbone interact. energy: -0.008
local terms energy: -57.849769
where:
bonds (distance) C4'-P energy: -9.685
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -12.010
tors. eta vs tors. theta energy: -8.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -92.746447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.746447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.746447 (E_RNA)
where:
Base-Base interactions energy: -44.396
where: short stacking energy: -40.042
Base-Backbone interact. energy: -0.078
local terms energy: -48.273067
where:
bonds (distance) C4'-P energy: -12.401
bonds (distance) P-C4' energy: -14.457
flat angles C4'-P-C4' energy: -12.266
flat angles P-C4'-P energy: -2.565
tors. eta vs tors. theta energy: -6.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -78.258054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.258054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.258054 (E_RNA)
where:
Base-Base interactions energy: -25.648
where: short stacking energy: -25.648
Base-Backbone interact. energy: -0.154
local terms energy: -52.455823
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -14.185
flat angles C4'-P-C4' energy: -11.375
flat angles P-C4'-P energy: -11.732
tors. eta vs tors. theta energy: -3.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -92.376585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.376585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.376585 (E_RNA)
where:
Base-Base interactions energy: -42.164
where: short stacking energy: -18.212
Base-Backbone interact. energy: -0.611
local terms energy: -49.601580
where:
bonds (distance) C4'-P energy: -14.220
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -13.074
flat angles P-C4'-P energy: -5.004
tors. eta vs tors. theta energy: -2.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -71.411538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.411538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.411538 (E_RNA)
where:
Base-Base interactions energy: -21.640
where: short stacking energy: -20.149
Base-Backbone interact. energy: -0.091
local terms energy: -49.680614
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -15.357
flat angles P-C4'-P energy: -6.506
tors. eta vs tors. theta energy: -0.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -221.170991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.170991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.170991 (E_RNA)
where:
Base-Base interactions energy: -143.762
where: short stacking energy: -59.503
Base-Backbone interact. energy: -1.722
local terms energy: -75.686954
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -14.237
flat angles P-C4'-P energy: -11.222
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: 2, replica: 4
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -219.164248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.164248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.164248 (E_RNA)
where:
Base-Base interactions energy: -145.098
where: short stacking energy: -76.756
Base-Backbone interact. energy: -0.007
local terms energy: -74.059843
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -14.574
flat angles C4'-P-C4' energy: -12.518
flat angles P-C4'-P energy: -12.237
tors. eta vs tors. theta energy: -22.236
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: 6
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -209.111663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.111663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.111663 (E_RNA)
where:
Base-Base interactions energy: -133.606
where: short stacking energy: -64.386
Base-Backbone interact. energy: -0.065
local terms energy: -75.441303
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -14.785
flat angles C4'-P-C4' energy: -17.388
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: -16.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -200.346245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.346245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.346245 (E_RNA)
where:
Base-Base interactions energy: -130.040
where: short stacking energy: -63.858
Base-Backbone interact. energy: -0.366
local terms energy: -69.940932
where:
bonds (distance) C4'-P energy: -11.706
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -16.437
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: -17.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -184.979722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.979722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.979722 (E_RNA)
where:
Base-Base interactions energy: -124.446
where: short stacking energy: -62.756
Base-Backbone interact. energy: -0.001
local terms energy: -60.532381
where:
bonds (distance) C4'-P energy: -12.075
bonds (distance) P-C4' energy: -11.630
flat angles C4'-P-C4' energy: -6.916
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: -19.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -141.651806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.651806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.651806 (E_RNA)
where:
Base-Base interactions energy: -85.414
where: short stacking energy: -45.362
Base-Backbone interact. energy: 0.384
local terms energy: -56.621687
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -13.902
flat angles C4'-P-C4' energy: -10.785
flat angles P-C4'-P energy: -7.696
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: 9
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -96.963231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.963231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.963231 (E_RNA)
where:
Base-Base interactions energy: -43.026
where: short stacking energy: -31.378
Base-Backbone interact. energy: -0.020
local terms energy: -53.918008
where:
bonds (distance) C4'-P energy: -10.145
bonds (distance) P-C4' energy: -17.849
flat angles C4'-P-C4' energy: -11.713
flat angles P-C4'-P energy: -7.340
tors. eta vs tors. theta energy: -6.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -90.419280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.419280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.419280 (E_RNA)
where:
Base-Base interactions energy: -35.209
where: short stacking energy: -30.538
Base-Backbone interact. energy: -0.054
local terms energy: -55.156113
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -13.873
flat angles C4'-P-C4' energy: -12.288
flat angles P-C4'-P energy: -8.643
tors. eta vs tors. theta energy: -5.930
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: 8
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -78.635605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.635605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.635605 (E_RNA)
where:
Base-Base interactions energy: -34.153
where: short stacking energy: -27.375
Base-Backbone interact. energy: -0.134
local terms energy: -44.349010
where:
bonds (distance) C4'-P energy: -9.976
bonds (distance) P-C4' energy: -11.530
flat angles C4'-P-C4' energy: -6.777
flat angles P-C4'-P energy: -11.981
tors. eta vs tors. theta energy: -4.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -72.658666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.658666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.658666 (E_RNA)
where:
Base-Base interactions energy: -31.881
where: short stacking energy: -24.330
Base-Backbone interact. energy: -0.313
local terms energy: -40.464645
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -13.348
flat angles C4'-P-C4' energy: -10.626
flat angles P-C4'-P energy: -6.862
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: 2
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -218.992108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.992108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.992108 (E_RNA)
where:
Base-Base interactions energy: -146.181
where: short stacking energy: -63.062
Base-Backbone interact. energy: -0.117
local terms energy: -72.694059
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -13.015
flat angles C4'-P-C4' energy: -17.133
flat angles P-C4'-P energy: -9.280
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: 2, replica: 6
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -220.111103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.111103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.111103 (E_RNA)
where:
Base-Base interactions energy: -140.342
where: short stacking energy: -70.114
Base-Backbone interact. energy: -0.221
local terms energy: -79.548315
where:
bonds (distance) C4'-P energy: -15.909
bonds (distance) P-C4' energy: -14.570
flat angles C4'-P-C4' energy: -16.720
flat angles P-C4'-P energy: -11.242
tors. eta vs tors. theta energy: -21.107
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: 4
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -208.863022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.863022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.863022 (E_RNA)
where:
Base-Base interactions energy: -130.470
where: short stacking energy: -63.117
Base-Backbone interact. energy: -0.077
local terms energy: -78.315828
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -12.016
tors. eta vs tors. theta energy: -19.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -208.101545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.101545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.101545 (E_RNA)
where:
Base-Base interactions energy: -134.608
where: short stacking energy: -62.899
Base-Backbone interact. energy: -0.685
local terms energy: -72.808311
where:
bonds (distance) C4'-P energy: -15.422
bonds (distance) P-C4' energy: -13.226
flat angles C4'-P-C4' energy: -14.273
flat angles P-C4'-P energy: -9.936
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: 5, replica: 1
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -194.024423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.024423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.024423 (E_RNA)
where:
Base-Base interactions energy: -121.691
where: short stacking energy: -55.884
Base-Backbone interact. energy: -0.517
local terms energy: -71.816254
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -11.523
flat angles C4'-P-C4' energy: -16.489
flat angles P-C4'-P energy: -12.418
tors. eta vs tors. theta energy: -14.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -142.474056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.474056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.474056 (E_RNA)
where:
Base-Base interactions energy: -78.277
where: short stacking energy: -47.731
Base-Backbone interact. energy: -0.117
local terms energy: -64.079851
where:
bonds (distance) C4'-P energy: -12.885
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -16.618
flat angles P-C4'-P energy: -10.545
tors. eta vs tors. theta energy: -9.602
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: 9
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -86.493014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.493014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.493014 (E_RNA)
where:
Base-Base interactions energy: -39.370
where: short stacking energy: -29.947
Base-Backbone interact. energy: -0.539
local terms energy: -46.584237
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -9.097
flat angles P-C4'-P energy: -5.731
tors. eta vs tors. theta energy: -2.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -82.911838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.911838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.911838 (E_RNA)
where:
Base-Base interactions energy: -30.610
where: short stacking energy: -27.538
Base-Backbone interact. energy: -0.720
local terms energy: -51.581334
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -15.013
flat angles C4'-P-C4' energy: -8.000
flat angles P-C4'-P energy: -11.977
tors. eta vs tors. theta energy: -3.276
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: 241
Temperature: 1.300000
Total energy: -85.980006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.980006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.980006 (E_RNA)
where:
Base-Base interactions energy: -31.601
where: short stacking energy: -31.601
Base-Backbone interact. energy: -0.061
local terms energy: -54.318404
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -9.751
tors. eta vs tors. theta energy: -2.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -79.133202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.133202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.133202 (E_RNA)
where:
Base-Base interactions energy: -26.178
where: short stacking energy: -22.752
Base-Backbone interact. energy: -0.106
local terms energy: -52.849267
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -10.398
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -1.104
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: 2
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -219.039968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.039968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.039968 (E_RNA)
where:
Base-Base interactions energy: -147.255
where: short stacking energy: -66.228
Base-Backbone interact. energy: -0.108
local terms energy: -71.676643
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -16.113
flat angles P-C4'-P energy: -12.245
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: 2, replica: 6
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -224.265307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.265307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.265307 (E_RNA)
where:
Base-Base interactions energy: -145.910
where: short stacking energy: -74.401
Base-Backbone interact. energy: -0.714
local terms energy: -77.642032
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -15.611
flat angles P-C4'-P energy: -9.214
tors. eta vs tors. theta energy: -22.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -211.367142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.367142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.367142 (E_RNA)
where:
Base-Base interactions energy: -140.341
where: short stacking energy: -61.601
Base-Backbone interact. energy: -1.167
local terms energy: -69.858764
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -11.314
tors. eta vs tors. theta energy: -15.080
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: 4
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -201.029091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.029091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.029091 (E_RNA)
where:
Base-Base interactions energy: -134.545
where: short stacking energy: -65.584
Base-Backbone interact. energy: -0.222
local terms energy: -66.262623
where:
bonds (distance) C4'-P energy: -17.307
bonds (distance) P-C4' energy: -12.611
flat angles C4'-P-C4' energy: -9.466
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: -16.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -163.724248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.724248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.724248 (E_RNA)
where:
Base-Base interactions energy: -99.206
where: short stacking energy: -55.552
Base-Backbone interact. energy: -0.487
local terms energy: -64.031410
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -12.974
flat angles P-C4'-P energy: -5.946
tors. eta vs tors. theta energy: -16.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -171.429107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.429107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.429107 (E_RNA)
where:
Base-Base interactions energy: -105.112
where: short stacking energy: -43.353
Base-Backbone interact. energy: -0.277
local terms energy: -66.039734
where:
bonds (distance) C4'-P energy: -11.737
bonds (distance) P-C4' energy: -16.324
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -13.392
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: 7, replica: 8
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -85.125747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.125747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.125747 (E_RNA)
where:
Base-Base interactions energy: -22.577
where: short stacking energy: -22.577
Base-Backbone interact. energy: -0.216
local terms energy: -62.332644
where:
bonds (distance) C4'-P energy: -13.957
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -13.521
flat angles P-C4'-P energy: -11.814
tors. eta vs tors. theta energy: -6.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -81.563596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.563596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.563596 (E_RNA)
where:
Base-Base interactions energy: -29.661
where: short stacking energy: -26.348
Base-Backbone interact. energy: 0.596
local terms energy: -52.498228
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -12.638
flat angles C4'-P-C4' energy: -12.223
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -2.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -77.533765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.533765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.533765 (E_RNA)
where:
Base-Base interactions energy: -29.097
where: short stacking energy: -29.097
Base-Backbone interact. energy: 1.973
local terms energy: -50.409432
where:
bonds (distance) C4'-P energy: -10.206
bonds (distance) P-C4' energy: -12.700
flat angles C4'-P-C4' energy: -12.343
flat angles P-C4'-P energy: -10.641
tors. eta vs tors. theta energy: -4.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -87.053674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.053674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.053674 (E_RNA)
where:
Base-Base interactions energy: -31.680
where: short stacking energy: -29.569
Base-Backbone interact. energy: -0.259
local terms energy: -55.114256
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -13.633
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: -6.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -217.997094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.997094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.997094 (E_RNA)
where:
Base-Base interactions energy: -137.329
where: short stacking energy: -61.218
Base-Backbone interact. energy: -0.320
local terms energy: -80.347823
where:
bonds (distance) C4'-P energy: -17.398
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -18.591
flat angles P-C4'-P energy: -8.205
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: 2, replica: 6
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -215.812120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.812120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.812120 (E_RNA)
where:
Base-Base interactions energy: -136.284
where: short stacking energy: -68.303
Base-Backbone interact. energy: -0.005
local terms energy: -79.523097
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -12.967
tors. eta vs tors. theta energy: -21.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -216.365019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.365019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.365019 (E_RNA)
where:
Base-Base interactions energy: -134.480
where: short stacking energy: -65.793
Base-Backbone interact. energy: -0.152
local terms energy: -81.732434
where:
bonds (distance) C4'-P energy: -15.725
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -12.810
tors. eta vs tors. theta energy: -22.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -213.182394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.182394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.182394 (E_RNA)
where:
Base-Base interactions energy: -133.305
where: short stacking energy: -70.561
Base-Backbone interact. energy: -0.633
local terms energy: -79.243973
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -16.756
flat angles C4'-P-C4' energy: -16.791
flat angles P-C4'-P energy: -11.899
tors. eta vs tors. theta energy: -21.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -153.327696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.327696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.327696 (E_RNA)
where:
Base-Base interactions energy: -92.408
where: short stacking energy: -45.632
Base-Backbone interact. energy: -0.770
local terms energy: -60.150512
where:
bonds (distance) C4'-P energy: -11.516
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -11.652
flat angles P-C4'-P energy: -7.701
tors. eta vs tors. theta energy: -11.797
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: 6, replica: 1
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -176.273076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.273076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.273076 (E_RNA)
where:
Base-Base interactions energy: -117.466
where: short stacking energy: -51.803
Base-Backbone interact. energy: -0.155
local terms energy: -58.651551
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -11.425
flat angles P-C4'-P energy: -7.575
tors. eta vs tors. theta energy: -11.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -86.833926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.833926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.833926 (E_RNA)
where:
Base-Base interactions energy: -30.717
where: short stacking energy: -30.717
Base-Backbone interact. energy: 0.328
local terms energy: -56.444024
where:
bonds (distance) C4'-P energy: -11.247
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -5.534
flat angles P-C4'-P energy: -12.126
tors. eta vs tors. theta energy: -11.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -78.912472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.912472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.912472 (E_RNA)
where:
Base-Base interactions energy: -26.573
where: short stacking energy: -26.573
Base-Backbone interact. energy: -1.123
local terms energy: -51.217022
where:
bonds (distance) C4'-P energy: -13.181
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -7.387
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: 9
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -83.819267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.819267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.819267 (E_RNA)
where:
Base-Base interactions energy: -31.786
where: short stacking energy: -26.775
Base-Backbone interact. energy: 0.040
local terms energy: -52.072787
where:
bonds (distance) C4'-P energy: -16.751
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -8.299
flat angles P-C4'-P energy: -9.603
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: 10, replica: 3
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -83.703395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.703395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.703395 (E_RNA)
where:
Base-Base interactions energy: -31.430
where: short stacking energy: -19.840
Base-Backbone interact. energy: -0.050
local terms energy: -52.223727
where:
bonds (distance) C4'-P energy: -12.244
bonds (distance) P-C4' energy: -12.324
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -7.482
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: 1, replica: 2
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -219.675410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.675410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.675410 (E_RNA)
where:
Base-Base interactions energy: -141.727
where: short stacking energy: -66.674
Base-Backbone interact. energy: -0.153
local terms energy: -77.796008
where:
bonds (distance) C4'-P energy: -16.437
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -17.670
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: -15.777
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: 2, replica: 6
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -214.973925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.973925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.973925 (E_RNA)
where:
Base-Base interactions energy: -136.108
where: short stacking energy: -71.061
Base-Backbone interact. energy: -0.553
local terms energy: -78.312883
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -16.230
flat angles P-C4'-P energy: -12.788
tors. eta vs tors. theta energy: -22.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -210.791506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.791506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.791506 (E_RNA)
where:
Base-Base interactions energy: -129.595
where: short stacking energy: -65.314
Base-Backbone interact. energy: -0.247
local terms energy: -80.949623
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -17.689
flat angles P-C4'-P energy: -10.445
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: 4, replica: 10
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -207.959276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.959276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.959276 (E_RNA)
where:
Base-Base interactions energy: -133.628
where: short stacking energy: -66.080
Base-Backbone interact. energy: 0.161
local terms energy: -74.491648
where:
bonds (distance) C4'-P energy: -14.215
bonds (distance) P-C4' energy: -17.608
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: -19.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -152.376728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.376728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.376728 (E_RNA)
where:
Base-Base interactions energy: -93.467
where: short stacking energy: -51.530
Base-Backbone interact. energy: -0.750
local terms energy: -58.160088
where:
bonds (distance) C4'-P energy: -9.458
bonds (distance) P-C4' energy: -12.896
flat angles C4'-P-C4' energy: -13.805
flat angles P-C4'-P energy: -8.996
tors. eta vs tors. theta energy: -13.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -147.396705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.396705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.396705 (E_RNA)
where:
Base-Base interactions energy: -85.319
where: short stacking energy: -42.239
Base-Backbone interact. energy: -0.030
local terms energy: -62.047306
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -8.607
tors. eta vs tors. theta energy: -6.849
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: 5
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -95.667021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.667021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.667021 (E_RNA)
where:
Base-Base interactions energy: -43.534
where: short stacking energy: -27.891
Base-Backbone interact. energy: 0.368
local terms energy: -52.500459
where:
bonds (distance) C4'-P energy: -11.521
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -9.634
flat angles P-C4'-P energy: -7.915
tors. eta vs tors. theta energy: -6.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -93.525919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.525919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.525919 (E_RNA)
where:
Base-Base interactions energy: -41.339
where: short stacking energy: -37.246
Base-Backbone interact. energy: 0.752
local terms energy: -52.938452
where:
bonds (distance) C4'-P energy: -11.971
bonds (distance) P-C4' energy: -13.799
flat angles C4'-P-C4' energy: -14.663
flat angles P-C4'-P energy: -5.104
tors. eta vs tors. theta energy: -7.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -75.706712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.706712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.706712 (E_RNA)
where:
Base-Base interactions energy: -25.341
where: short stacking energy: -25.341
Base-Backbone interact. energy: -0.112
local terms energy: -50.253454
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -14.574
flat angles C4'-P-C4' energy: -4.601
flat angles P-C4'-P energy: -11.749
tors. eta vs tors. theta energy: -4.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -84.692777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.692777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.692777 (E_RNA)
where:
Base-Base interactions energy: -31.113
where: short stacking energy: -29.948
Base-Backbone interact. energy: -0.102
local terms energy: -53.478590
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -17.534
flat angles C4'-P-C4' energy: -12.346
flat angles P-C4'-P energy: -3.234
tors. eta vs tors. theta energy: -5.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -218.168018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.168018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.168018 (E_RNA)
where:
Base-Base interactions energy: -143.646
where: short stacking energy: -62.399
Base-Backbone interact. energy: -0.581
local terms energy: -73.940379
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -15.056
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -12.040
tors. eta vs tors. theta energy: -17.952
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: 4
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -208.544128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.544128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.544128 (E_RNA)
where:
Base-Base interactions energy: -136.335
where: short stacking energy: -65.397
Base-Backbone interact. energy: -0.391
local terms energy: -71.817823
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -15.303
flat angles C4'-P-C4' energy: -15.883
flat angles P-C4'-P energy: -11.370
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: 3, replica: 6
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -215.364644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.364644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.364644 (E_RNA)
where:
Base-Base interactions energy: -140.210
where: short stacking energy: -69.800
Base-Backbone interact. energy: -0.042
local terms energy: -75.112962
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -17.188
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -19.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -203.986059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.986059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.986059 (E_RNA)
where:
Base-Base interactions energy: -130.567
where: short stacking energy: -67.122
Base-Backbone interact. energy: -0.002
local terms energy: -73.416751
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -17.108
flat angles C4'-P-C4' energy: -15.302
flat angles P-C4'-P energy: -9.108
tors. eta vs tors. theta energy: -19.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -150.181687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.181687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.181687 (E_RNA)
where:
Base-Base interactions energy: -82.167
where: short stacking energy: -45.328
Base-Backbone interact. energy: -0.935
local terms energy: -67.079457
where:
bonds (distance) C4'-P energy: -18.420
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -11.470
flat angles P-C4'-P energy: -14.148
tors. eta vs tors. theta energy: -8.797
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: 6, replica: 1
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -155.166054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.166054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.166054 (E_RNA)
where:
Base-Base interactions energy: -94.516
where: short stacking energy: -42.272
Base-Backbone interact. energy: -1.055
local terms energy: -59.595408
where:
bonds (distance) C4'-P energy: -12.331
bonds (distance) P-C4' energy: -19.128
flat angles C4'-P-C4' energy: -15.074
flat angles P-C4'-P energy: -5.013
tors. eta vs tors. theta energy: -8.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -91.325127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.325127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.325127 (E_RNA)
where:
Base-Base interactions energy: -37.154
where: short stacking energy: -33.758
Base-Backbone interact. energy: -0.858
local terms energy: -53.313268
where:
bonds (distance) C4'-P energy: -12.160
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -16.547
flat angles P-C4'-P energy: -6.018
tors. eta vs tors. theta energy: -5.074
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: 3
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -83.201068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.201068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.201068 (E_RNA)
where:
Base-Base interactions energy: -30.307
where: short stacking energy: -30.307
Base-Backbone interact. energy: -0.100
local terms energy: -52.793571
where:
bonds (distance) C4'-P energy: -16.501
bonds (distance) P-C4' energy: -14.032
flat angles C4'-P-C4' energy: -12.998
flat angles P-C4'-P energy: -4.871
tors. eta vs tors. theta energy: -4.391
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: 8
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -78.259606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.259606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.259606 (E_RNA)
where:
Base-Base interactions energy: -31.134
where: short stacking energy: -20.951
Base-Backbone interact. energy: -0.127
local terms energy: -46.998096
where:
bonds (distance) C4'-P energy: -10.542
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -12.957
flat angles P-C4'-P energy: -6.260
tors. eta vs tors. theta energy: -1.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -74.276091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.276091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.276091 (E_RNA)
where:
Base-Base interactions energy: -34.600
where: short stacking energy: -27.681
Base-Backbone interact. energy: -0.836
local terms energy: -38.839775
where:
bonds (distance) C4'-P energy: -6.246
bonds (distance) P-C4' energy: -11.799
flat angles C4'-P-C4' energy: -11.315
flat angles P-C4'-P energy: -5.216
tors. eta vs tors. theta energy: -4.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -214.173788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.173788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.173788 (E_RNA)
where:
Base-Base interactions energy: -138.033
where: short stacking energy: -66.294
Base-Backbone interact. energy: -0.169
local terms energy: -75.970939
where:
bonds (distance) C4'-P energy: -16.668
bonds (distance) P-C4' energy: -14.489
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -9.068
tors. eta vs tors. theta energy: -18.599
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: 2, replica: 4
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -218.333105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.333105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.333105 (E_RNA)
where:
Base-Base interactions energy: -136.963
where: short stacking energy: -65.334
Base-Backbone interact. energy: -0.064
local terms energy: -81.305756
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -14.721
flat angles C4'-P-C4' energy: -17.454
flat angles P-C4'-P energy: -13.860
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: 3, replica: 10
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -212.343558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.343558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.343558 (E_RNA)
where:
Base-Base interactions energy: -134.557
where: short stacking energy: -66.012
Base-Backbone interact. energy: -0.014
local terms energy: -77.772215
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -18.626
flat angles C4'-P-C4' energy: -14.222
flat angles P-C4'-P energy: -11.777
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: 6
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -219.669386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.669386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.669386 (E_RNA)
where:
Base-Base interactions energy: -144.201
where: short stacking energy: -74.165
Base-Backbone interact. energy: -0.004
local terms energy: -75.464696
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -11.190
flat angles C4'-P-C4' energy: -16.929
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -23.704
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: 7
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -162.502567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.502567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.502567 (E_RNA)
where:
Base-Base interactions energy: -102.030
where: short stacking energy: -47.905
Base-Backbone interact. energy: -0.310
local terms energy: -60.162425
where:
bonds (distance) C4'-P energy: -10.496
bonds (distance) P-C4' energy: -18.468
flat angles C4'-P-C4' energy: -8.479
flat angles P-C4'-P energy: -11.040
tors. eta vs tors. theta energy: -11.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -134.498016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.498016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.498016 (E_RNA)
where:
Base-Base interactions energy: -77.180
where: short stacking energy: -26.953
Base-Backbone interact. energy: -0.228
local terms energy: -57.090396
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -4.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -111.469221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.469221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.469221 (E_RNA)
where:
Base-Base interactions energy: -59.013
where: short stacking energy: -31.185
Base-Backbone interact. energy: -0.563
local terms energy: -51.892862
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -12.744
flat angles P-C4'-P energy: -6.097
tors. eta vs tors. theta energy: -6.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -79.509058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.509058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.509058 (E_RNA)
where:
Base-Base interactions energy: -29.312
where: short stacking energy: -26.756
Base-Backbone interact. energy: -0.246
local terms energy: -49.950567
where:
bonds (distance) C4'-P energy: -16.355
bonds (distance) P-C4' energy: -10.562
flat angles C4'-P-C4' energy: -8.292
flat angles P-C4'-P energy: -12.149
tors. eta vs tors. theta energy: -2.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -79.057884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.057884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.057884 (E_RNA)
where:
Base-Base interactions energy: -37.073
where: short stacking energy: -35.338
Base-Backbone interact. energy: -0.112
local terms energy: -41.872925
where:
bonds (distance) C4'-P energy: -6.098
bonds (distance) P-C4' energy: -14.447
flat angles C4'-P-C4' energy: -15.112
flat angles P-C4'-P energy: -3.830
tors. eta vs tors. theta energy: -2.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -79.904917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.904917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.904917 (E_RNA)
where:
Base-Base interactions energy: -29.087
where: short stacking energy: -26.132
Base-Backbone interact. energy: -0.025
local terms energy: -50.792980
where:
bonds (distance) C4'-P energy: -12.137
bonds (distance) P-C4' energy: -15.021
flat angles C4'-P-C4' energy: -11.714
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: -2.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -226.008127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.008127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.008127 (E_RNA)
where:
Base-Base interactions energy: -142.015
where: short stacking energy: -71.739
Base-Backbone interact. energy: -0.032
local terms energy: -83.960841
where:
bonds (distance) C4'-P energy: -17.327
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -15.521
flat angles P-C4'-P energy: -13.556
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: 10
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -209.453499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.453499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.453499 (E_RNA)
where:
Base-Base interactions energy: -132.131
where: short stacking energy: -62.757
Base-Backbone interact. energy: -0.136
local terms energy: -77.186908
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -12.981
flat angles C4'-P-C4' energy: -16.781
flat angles P-C4'-P energy: -11.487
tors. eta vs tors. theta energy: -20.671
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: 4
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -213.443691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.443691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.443691 (E_RNA)
where:
Base-Base interactions energy: -134.476
where: short stacking energy: -60.565
Base-Backbone interact. energy: -0.048
local terms energy: -78.919361
where:
bonds (distance) C4'-P energy: -17.286
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -10.586
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: 4, replica: 6
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -201.890747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.890747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.890747 (E_RNA)
where:
Base-Base interactions energy: -124.770
where: short stacking energy: -64.604
Base-Backbone interact. energy: -0.101
local terms energy: -77.020168
where:
bonds (distance) C4'-P energy: -12.769
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -15.955
flat angles P-C4'-P energy: -11.622
tors. eta vs tors. theta energy: -21.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -161.110455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.110455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.110455 (E_RNA)
where:
Base-Base interactions energy: -98.403
where: short stacking energy: -50.888
Base-Backbone interact. energy: -0.307
local terms energy: -62.400497
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -13.906
flat angles C4'-P-C4' energy: -14.504
flat angles P-C4'-P energy: -9.496
tors. eta vs tors. theta energy: -10.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -152.355514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.355514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.355514 (E_RNA)
where:
Base-Base interactions energy: -85.075
where: short stacking energy: -50.041
Base-Backbone interact. energy: -0.006
local terms energy: -67.274687
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -4.838
tors. eta vs tors. theta energy: -16.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -92.667858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.667858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.667858 (E_RNA)
where:
Base-Base interactions energy: -38.824
where: short stacking energy: -38.824
Base-Backbone interact. energy: -0.021
local terms energy: -53.823773
where:
bonds (distance) C4'-P energy: -17.836
bonds (distance) P-C4' energy: -8.635
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -6.293
tors. eta vs tors. theta energy: -6.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -84.517515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.517515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.517515 (E_RNA)
where:
Base-Base interactions energy: -34.714
where: short stacking energy: -21.727
Base-Backbone interact. energy: -1.203
local terms energy: -48.600556
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -12.665
flat angles P-C4'-P energy: -7.671
tors. eta vs tors. theta energy: -1.527
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: 9
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -85.147477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.147477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.147477 (E_RNA)
where:
Base-Base interactions energy: -28.130
where: short stacking energy: -28.019
Base-Backbone interact. energy: 0.050
local terms energy: -57.067127
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -13.858
flat angles P-C4'-P energy: -10.499
tors. eta vs tors. theta energy: -5.169
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: 10, replica: 8
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -73.804929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.804929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.804929 (E_RNA)
where:
Base-Base interactions energy: -17.386
where: short stacking energy: -13.900
Base-Backbone interact. energy: -0.135
local terms energy: -56.284156
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -9.623
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: -7.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -218.617589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.617589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.617589 (E_RNA)
where:
Base-Base interactions energy: -139.655
where: short stacking energy: -69.682
Base-Backbone interact. energy: 0.034
local terms energy: -78.996614
where:
bonds (distance) C4'-P energy: -14.643
bonds (distance) P-C4' energy: -12.560
flat angles C4'-P-C4' energy: -17.020
flat angles P-C4'-P energy: -13.016
tors. eta vs tors. theta energy: -21.757
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: 2
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -221.417476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.417476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.417476 (E_RNA)
where:
Base-Base interactions energy: -148.374
where: short stacking energy: -74.933
Base-Backbone interact. energy: -0.014
local terms energy: -73.029842
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: -20.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -212.973300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.973300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.973300 (E_RNA)
where:
Base-Base interactions energy: -139.105
where: short stacking energy: -66.431
Base-Backbone interact. energy: 0.983
local terms energy: -74.851433
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -12.651
flat angles C4'-P-C4' energy: -15.786
flat angles P-C4'-P energy: -10.831
tors. eta vs tors. theta energy: -19.961
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: 4
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -200.451706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.451706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.451706 (E_RNA)
where:
Base-Base interactions energy: -127.932
where: short stacking energy: -69.968
Base-Backbone interact. energy: 0.029
local terms energy: -72.548110
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -13.612
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: -17.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -168.004264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.004264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.004264 (E_RNA)
where:
Base-Base interactions energy: -103.238
where: short stacking energy: -47.029
Base-Backbone interact. energy: -0.286
local terms energy: -64.480066
where:
bonds (distance) C4'-P energy: -11.353
bonds (distance) P-C4' energy: -17.316
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -12.164
tors. eta vs tors. theta energy: -7.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -131.242577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.242577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.242577 (E_RNA)
where:
Base-Base interactions energy: -71.679
where: short stacking energy: -40.093
Base-Backbone interact. energy: -0.339
local terms energy: -59.224484
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -8.982
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: 7, replica: 3
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -77.596894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.596894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.596894 (E_RNA)
where:
Base-Base interactions energy: -27.228
where: short stacking energy: -20.614
Base-Backbone interact. energy: -0.266
local terms energy: -50.102354
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -15.700
flat angles C4'-P-C4' energy: -12.008
flat angles P-C4'-P energy: -8.967
tors. eta vs tors. theta energy: 0.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -111.319281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.319281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.319281 (E_RNA)
where:
Base-Base interactions energy: -54.363
where: short stacking energy: -48.206
Base-Backbone interact. energy: -0.022
local terms energy: -56.934474
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -11.536
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -9.729
tors. eta vs tors. theta energy: -8.768
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: 8
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -75.942356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.942356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.942356 (E_RNA)
where:
Base-Base interactions energy: -24.090
where: short stacking energy: -23.013
Base-Backbone interact. energy: 0.311
local terms energy: -52.163695
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -17.335
flat angles C4'-P-C4' energy: -11.543
flat angles P-C4'-P energy: -9.891
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: 10, replica: 9
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -73.446459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.446459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.446459 (E_RNA)
where:
Base-Base interactions energy: -25.753
where: short stacking energy: -20.935
Base-Backbone interact. energy: -0.160
local terms energy: -47.534205
where:
bonds (distance) C4'-P energy: -10.957
bonds (distance) P-C4' energy: -12.291
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -6.476
tors. eta vs tors. theta energy: -2.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -221.212852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.212852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.212852 (E_RNA)
where:
Base-Base interactions energy: -143.144
where: short stacking energy: -72.933
Base-Backbone interact. energy: -0.035
local terms energy: -78.033360
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -16.041
flat angles C4'-P-C4' energy: -16.287
flat angles P-C4'-P energy: -9.091
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: 2, replica: 6
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -212.275141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.275141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.275141 (E_RNA)
where:
Base-Base interactions energy: -135.417
where: short stacking energy: -65.393
Base-Backbone interact. energy: 0.767
local terms energy: -77.624911
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -14.326
flat angles C4'-P-C4' energy: -17.460
flat angles P-C4'-P energy: -11.628
tors. eta vs tors. theta energy: -21.374
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: 3, replica: 2
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -216.244895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.244895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.244895 (E_RNA)
where:
Base-Base interactions energy: -148.272
where: short stacking energy: -74.509
Base-Backbone interact. energy: -0.096
local terms energy: -67.876475
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -13.229
flat angles C4'-P-C4' energy: -14.843
flat angles P-C4'-P energy: -11.410
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: 4, replica: 4
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -204.405648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.405648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.405648 (E_RNA)
where:
Base-Base interactions energy: -138.500
where: short stacking energy: -65.404
Base-Backbone interact. energy: 1.305
local terms energy: -67.210280
where:
bonds (distance) C4'-P energy: -11.569
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -16.263
flat angles P-C4'-P energy: -7.889
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: 5, replica: 1
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -175.002473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.002473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.002473 (E_RNA)
where:
Base-Base interactions energy: -122.671
where: short stacking energy: -49.485
Base-Backbone interact. energy: -0.826
local terms energy: -51.505725
where:
bonds (distance) C4'-P energy: -10.046
bonds (distance) P-C4' energy: -13.523
flat angles C4'-P-C4' energy: -8.301
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -9.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -136.409369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.409369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.409369 (E_RNA)
where:
Base-Base interactions energy: -77.417
where: short stacking energy: -43.298
Base-Backbone interact. energy: -1.286
local terms energy: -57.706097
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -17.081
flat angles C4'-P-C4' energy: -12.926
flat angles P-C4'-P energy: -8.846
tors. eta vs tors. theta energy: -7.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -98.938230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.938230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.938230 (E_RNA)
where:
Base-Base interactions energy: -41.835
where: short stacking energy: -37.579
Base-Backbone interact. energy: -0.425
local terms energy: -56.678138
where:
bonds (distance) C4'-P energy: -11.183
bonds (distance) P-C4' energy: -14.065
flat angles C4'-P-C4' energy: -14.674
flat angles P-C4'-P energy: -5.956
tors. eta vs tors. theta energy: -10.800
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: 8, replica: 8
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -82.531566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.531566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.531566 (E_RNA)
where:
Base-Base interactions energy: -27.340
where: short stacking energy: -26.242
Base-Backbone interact. energy: -0.150
local terms energy: -55.041396
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -11.480
flat angles P-C4'-P energy: -6.043
tors. eta vs tors. theta energy: -6.431
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: 5
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -81.493768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.493768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.493768 (E_RNA)
where:
Base-Base interactions energy: -38.722
where: short stacking energy: -33.076
Base-Backbone interact. energy: 2.487
local terms energy: -45.258423
where:
bonds (distance) C4'-P energy: -10.591
bonds (distance) P-C4' energy: -9.505
flat angles C4'-P-C4' energy: -12.350
flat angles P-C4'-P energy: -9.313
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: 10, replica: 9
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -75.952095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.952095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.952095 (E_RNA)
where:
Base-Base interactions energy: -26.504
where: short stacking energy: -22.604
Base-Backbone interact. energy: -0.144
local terms energy: -49.303726
where:
bonds (distance) C4'-P energy: -13.345
bonds (distance) P-C4' energy: -10.939
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -10.572
tors. eta vs tors. theta energy: -0.608
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: 6
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -221.690793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.690793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.690793 (E_RNA)
where:
Base-Base interactions energy: -137.633
where: short stacking energy: -75.093
Base-Backbone interact. energy: 0.230
local terms energy: -84.286870
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -17.339
flat angles P-C4'-P energy: -13.625
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: 2, replica: 10
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -221.417558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.417558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.417558 (E_RNA)
where:
Base-Base interactions energy: -142.790
where: short stacking energy: -75.050
Base-Backbone interact. energy: -0.040
local terms energy: -78.588151
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -15.535
flat angles P-C4'-P energy: -11.886
tors. eta vs tors. theta energy: -21.381
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: 4
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -199.602810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.602810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.602810 (E_RNA)
where:
Base-Base interactions energy: -123.936
where: short stacking energy: -61.247
Base-Backbone interact. energy: 0.450
local terms energy: -76.116007
where:
bonds (distance) C4'-P energy: -16.189
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -9.007
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: 4, replica: 2
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -210.110547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.110547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.110547 (E_RNA)
where:
Base-Base interactions energy: -136.733
where: short stacking energy: -71.859
Base-Backbone interact. energy: -0.162
local terms energy: -73.215303
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -13.298
flat angles P-C4'-P energy: -10.554
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: 5, replica: 1
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -188.142545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.142545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.142545 (E_RNA)
where:
Base-Base interactions energy: -122.208
where: short stacking energy: -50.888
Base-Backbone interact. energy: -0.741
local terms energy: -65.194003
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -15.471
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -6.585
tors. eta vs tors. theta energy: -13.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -118.216945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.216945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.216945 (E_RNA)
where:
Base-Base interactions energy: -62.902
where: short stacking energy: -29.312
Base-Backbone interact. energy: -0.042
local terms energy: -55.272887
where:
bonds (distance) C4'-P energy: -16.333
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -12.883
flat angles P-C4'-P energy: -5.438
tors. eta vs tors. theta energy: -4.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -102.121851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.121851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.121851 (E_RNA)
where:
Base-Base interactions energy: -43.923
where: short stacking energy: -42.055
Base-Backbone interact. energy: -0.769
local terms energy: -57.429243
where:
bonds (distance) C4'-P energy: -10.736
bonds (distance) P-C4' energy: -15.420
flat angles C4'-P-C4' energy: -13.426
flat angles P-C4'-P energy: -8.413
tors. eta vs tors. theta energy: -9.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -77.567335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.567335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.567335 (E_RNA)
where:
Base-Base interactions energy: -22.069
where: short stacking energy: -22.069
Base-Backbone interact. energy: -0.241
local terms energy: -55.257276
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -14.996
flat angles P-C4'-P energy: -10.211
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: 9
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -90.569444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.569444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.569444 (E_RNA)
where:
Base-Base interactions energy: -35.636
where: short stacking energy: -24.164
Base-Backbone interact. energy: -0.154
local terms energy: -54.779397
where:
bonds (distance) C4'-P energy: -12.218
bonds (distance) P-C4' energy: -16.664
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -10.347
tors. eta vs tors. theta energy: -0.839
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: 250
Temperature: 1.350000
Total energy: -72.287279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.287279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.287279 (E_RNA)
where:
Base-Base interactions energy: -21.186
where: short stacking energy: -20.518
Base-Backbone interact. energy: -0.288
local terms energy: -50.813360
where:
bonds (distance) C4'-P energy: -11.976
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -12.269
flat angles P-C4'-P energy: -7.646
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: 6
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -221.758249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.758249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.758249 (E_RNA)
where:
Base-Base interactions energy: -144.331
where: short stacking energy: -77.370
Base-Backbone interact. energy: -0.506
local terms energy: -76.921343
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -13.929
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: 2, replica: 10
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -206.759621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.759621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.759621 (E_RNA)
where:
Base-Base interactions energy: -130.061
where: short stacking energy: -66.375
Base-Backbone interact. energy: -0.001
local terms energy: -76.698131
where:
bonds (distance) C4'-P energy: -9.921
bonds (distance) P-C4' energy: -16.348
flat angles C4'-P-C4' energy: -16.611
flat angles P-C4'-P energy: -12.599
tors. eta vs tors. theta energy: -21.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -219.216228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.216228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.216228 (E_RNA)
where:
Base-Base interactions energy: -153.443
where: short stacking energy: -76.913
Base-Backbone interact. energy: 0.489
local terms energy: -66.262094
where:
bonds (distance) C4'-P energy: -10.179
bonds (distance) P-C4' energy: -9.326
flat angles C4'-P-C4' energy: -12.774
flat angles P-C4'-P energy: -13.695
tors. eta vs tors. theta energy: -20.288
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: 251
Temperature: 1.050000
Total energy: -202.922431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.922431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.922431 (E_RNA)
where:
Base-Base interactions energy: -130.858
where: short stacking energy: -69.121
Base-Backbone interact. energy: 0.332
local terms energy: -72.397053
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -15.776
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -9.760
tors. eta vs tors. theta energy: -17.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -182.226932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.226932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.226932 (E_RNA)
where:
Base-Base interactions energy: -118.928
where: short stacking energy: -62.662
Base-Backbone interact. energy: -0.110
local terms energy: -63.188861
where:
bonds (distance) C4'-P energy: -11.043
bonds (distance) P-C4' energy: -11.385
flat angles C4'-P-C4' energy: -11.734
flat angles P-C4'-P energy: -11.372
tors. eta vs tors. theta energy: -17.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -98.171231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.171231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.171231 (E_RNA)
where:
Base-Base interactions energy: -39.777
where: short stacking energy: -39.777
Base-Backbone interact. energy: -0.363
local terms energy: -58.031180
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -11.107
flat angles C4'-P-C4' energy: -11.382
flat angles P-C4'-P energy: -10.165
tors. eta vs tors. theta energy: -9.155
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: 7
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -108.154727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.154727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.154727 (E_RNA)
where:
Base-Base interactions energy: -53.369
where: short stacking energy: -31.152
Base-Backbone interact. energy: -0.084
local terms energy: -54.702587
where:
bonds (distance) C4'-P energy: -13.523
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -10.117
flat angles P-C4'-P energy: -7.843
tors. eta vs tors. theta energy: -7.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -93.071288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.071288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.071288 (E_RNA)
where:
Base-Base interactions energy: -37.728
where: short stacking energy: -29.799
Base-Backbone interact. energy: -0.122
local terms energy: -55.221053
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -9.024
flat angles P-C4'-P energy: -5.779
tors. eta vs tors. theta energy: -10.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -78.892634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.892634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.892634 (E_RNA)
where:
Base-Base interactions energy: -29.592
where: short stacking energy: -28.432
Base-Backbone interact. energy: 1.558
local terms energy: -50.858786
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -12.085
flat angles P-C4'-P energy: -7.953
tors. eta vs tors. theta energy: -3.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -88.137597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.137597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.137597 (E_RNA)
where:
Base-Base interactions energy: -41.792
where: short stacking energy: -37.041
Base-Backbone interact. energy: -0.108
local terms energy: -46.237313
where:
bonds (distance) C4'-P energy: -11.349
bonds (distance) P-C4' energy: -11.074
flat angles C4'-P-C4' energy: -12.298
flat angles P-C4'-P energy: -9.382
tors. eta vs tors. theta energy: -2.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -227.574740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.574740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.574740 (E_RNA)
where:
Base-Base interactions energy: -145.151
where: short stacking energy: -77.970
Base-Backbone interact. energy: -0.670
local terms energy: -81.754092
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -16.613
flat angles P-C4'-P energy: -11.446
tors. eta vs tors. theta energy: -21.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -217.761119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.761119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.761119 (E_RNA)
where:
Base-Base interactions energy: -142.276
where: short stacking energy: -70.119
Base-Backbone interact. energy: -0.020
local terms energy: -75.465677
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -9.112
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: 3, replica: 2
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -208.415491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.415491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.415491 (E_RNA)
where:
Base-Base interactions energy: -131.333
where: short stacking energy: -70.287
Base-Backbone interact. energy: -0.001
local terms energy: -77.081845
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -10.768
tors. eta vs tors. theta energy: -20.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -204.300936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.300936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.300936 (E_RNA)
where:
Base-Base interactions energy: -128.520
where: short stacking energy: -67.046
Base-Backbone interact. energy: 1.125
local terms energy: -76.906097
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -6.906
tors. eta vs tors. theta energy: -21.996
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: 5, replica: 1
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -185.616586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.616586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.616586 (E_RNA)
where:
Base-Base interactions energy: -121.247
where: short stacking energy: -50.035
Base-Backbone interact. energy: 0.692
local terms energy: -65.061680
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -13.857
flat angles C4'-P-C4' energy: -17.038
flat angles P-C4'-P energy: -7.887
tors. eta vs tors. theta energy: -10.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -96.728284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.728284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.728284 (E_RNA)
where:
Base-Base interactions energy: -41.903
where: short stacking energy: -38.661
Base-Backbone interact. energy: -0.075
local terms energy: -54.749890
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -15.754
flat angles C4'-P-C4' energy: -10.193
flat angles P-C4'-P energy: -7.170
tors. eta vs tors. theta energy: -8.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -98.624472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.624472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.624472 (E_RNA)
where:
Base-Base interactions energy: -39.654
where: short stacking energy: -37.014
Base-Backbone interact. energy: -0.097
local terms energy: -58.873759
where:
bonds (distance) C4'-P energy: -9.763
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -6.006
tors. eta vs tors. theta energy: -12.661
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: 8
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -86.318291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.318291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.318291 (E_RNA)
where:
Base-Base interactions energy: -21.105
where: short stacking energy: -18.432
Base-Backbone interact. energy: -0.760
local terms energy: -64.452932
where:
bonds (distance) C4'-P energy: -16.660
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -11.352
tors. eta vs tors. theta energy: -3.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -83.457377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.457377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.457377 (E_RNA)
where:
Base-Base interactions energy: -34.945
where: short stacking energy: -24.742
Base-Backbone interact. energy: -0.735
local terms energy: -47.776930
where:
bonds (distance) C4'-P energy: -10.853
bonds (distance) P-C4' energy: -11.425
flat angles C4'-P-C4' energy: -12.284
flat angles P-C4'-P energy: -10.432
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: 5
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -83.659131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.659131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.659131 (E_RNA)
where:
Base-Base interactions energy: -30.138
where: short stacking energy: -25.400
Base-Backbone interact. energy: -1.986
local terms energy: -51.535031
where:
bonds (distance) C4'-P energy: -10.174
bonds (distance) P-C4' energy: -13.401
flat angles C4'-P-C4' energy: -12.071
flat angles P-C4'-P energy: -11.265
tors. eta vs tors. theta energy: -4.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -222.577083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.577083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.577083 (E_RNA)
where:
Base-Base interactions energy: -139.712
where: short stacking energy: -77.090
Base-Backbone interact. energy: -0.191
local terms energy: -82.674277
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -24.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -214.364153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.364153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.364153 (E_RNA)
where:
Base-Base interactions energy: -139.444
where: short stacking energy: -69.995
Base-Backbone interact. energy: -0.287
local terms energy: -74.633398
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -11.720
tors. eta vs tors. theta energy: -17.043
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: 2
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -213.883106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.883106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.883106 (E_RNA)
where:
Base-Base interactions energy: -138.444
where: short stacking energy: -83.043
Base-Backbone interact. energy: -0.028
local terms energy: -75.410801
where:
bonds (distance) C4'-P energy: -12.717
bonds (distance) P-C4' energy: -15.051
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -11.704
tors. eta vs tors. theta energy: -21.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -203.451730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.451730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.451730 (E_RNA)
where:
Base-Base interactions energy: -135.264
where: short stacking energy: -68.672
Base-Backbone interact. energy: -0.050
local terms energy: -68.137734
where:
bonds (distance) C4'-P energy: -13.301
bonds (distance) P-C4' energy: -9.825
flat angles C4'-P-C4' energy: -17.396
flat angles P-C4'-P energy: -8.698
tors. eta vs tors. theta energy: -18.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -194.705367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.705367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.705367 (E_RNA)
where:
Base-Base interactions energy: -129.601
where: short stacking energy: -60.860
Base-Backbone interact. energy: -0.013
local terms energy: -65.091627
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -11.129
flat angles P-C4'-P energy: -8.283
tors. eta vs tors. theta energy: -18.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -99.407026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.407026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.407026 (E_RNA)
where:
Base-Base interactions energy: -52.616
where: short stacking energy: -34.164
Base-Backbone interact. energy: 0.282
local terms energy: -47.073172
where:
bonds (distance) C4'-P energy: -13.487
bonds (distance) P-C4' energy: -12.165
flat angles C4'-P-C4' energy: -9.364
flat angles P-C4'-P energy: -10.340
tors. eta vs tors. theta energy: -1.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -90.223321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.223321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.223321 (E_RNA)
where:
Base-Base interactions energy: -39.648
where: short stacking energy: -37.531
Base-Backbone interact. energy: 1.191
local terms energy: -51.766248
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -13.804
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -5.327
tors. eta vs tors. theta energy: -5.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -80.659457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.659457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.659457 (E_RNA)
where:
Base-Base interactions energy: -29.850
where: short stacking energy: -24.534
Base-Backbone interact. energy: -0.021
local terms energy: -50.788280
where:
bonds (distance) C4'-P energy: -11.170
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -12.130
flat angles P-C4'-P energy: -6.694
tors. eta vs tors. theta energy: -4.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -92.809380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.809380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.809380 (E_RNA)
where:
Base-Base interactions energy: -49.350
where: short stacking energy: -39.298
Base-Backbone interact. energy: -0.163
local terms energy: -43.296782
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -8.686
flat angles P-C4'-P energy: -7.660
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: 10, replica: 5
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -86.677525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.677525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.677525 (E_RNA)
where:
Base-Base interactions energy: -27.424
where: short stacking energy: -26.133
Base-Backbone interact. energy: -0.022
local terms energy: -59.231014
where:
bonds (distance) C4'-P energy: -13.752
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -13.850
flat angles P-C4'-P energy: -11.314
tors. eta vs tors. theta energy: -3.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -218.920246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.920246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.920246 (E_RNA)
where:
Base-Base interactions energy: -138.198
where: short stacking energy: -74.355
Base-Backbone interact. energy: -0.034
local terms energy: -80.687852
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -17.244
flat angles P-C4'-P energy: -11.593
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: 2, replica: 6
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -220.410136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.410136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.410136 (E_RNA)
where:
Base-Base interactions energy: -141.420
where: short stacking energy: -66.777
Base-Backbone interact. energy: -0.049
local terms energy: -78.940578
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -16.212
flat angles P-C4'-P energy: -11.330
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: 3, replica: 4
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -214.000863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.000863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.000863 (E_RNA)
where:
Base-Base interactions energy: -139.108
where: short stacking energy: -69.614
Base-Backbone interact. energy: -0.531
local terms energy: -74.361890
where:
bonds (distance) C4'-P energy: -10.932
bonds (distance) P-C4' energy: -17.862
flat angles C4'-P-C4' energy: -13.067
flat angles P-C4'-P energy: -12.756
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: 4, replica: 2
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -211.124955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.124955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.124955 (E_RNA)
where:
Base-Base interactions energy: -142.050
where: short stacking energy: -56.690
Base-Backbone interact. energy: -0.059
local terms energy: -69.016123
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -17.349
flat angles P-C4'-P energy: -5.695
tors. eta vs tors. theta energy: -17.617
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: 1
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -202.504017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.504017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.504017 (E_RNA)
where:
Base-Base interactions energy: -134.912
where: short stacking energy: -70.492
Base-Backbone interact. energy: -1.402
local terms energy: -66.190403
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -10.876
flat angles C4'-P-C4' energy: -11.846
flat angles P-C4'-P energy: -11.559
tors. eta vs tors. theta energy: -19.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -118.599067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.599067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.599067 (E_RNA)
where:
Base-Base interactions energy: -63.734
where: short stacking energy: -39.055
Base-Backbone interact. energy: -0.109
local terms energy: -54.755622
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -12.082
flat angles C4'-P-C4' energy: -13.096
flat angles P-C4'-P energy: -5.542
tors. eta vs tors. theta energy: -8.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -89.890382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.890382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.890382 (E_RNA)
where:
Base-Base interactions energy: -43.833
where: short stacking energy: -36.288
Base-Backbone interact. energy: 0.442
local terms energy: -46.499021
where:
bonds (distance) C4'-P energy: -8.943
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -8.342
flat angles P-C4'-P energy: -6.521
tors. eta vs tors. theta energy: -6.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -80.803582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.803582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.803582 (E_RNA)
where:
Base-Base interactions energy: -28.564
where: short stacking energy: -28.564
Base-Backbone interact. energy: -0.081
local terms energy: -52.158295
where:
bonds (distance) C4'-P energy: -10.791
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -11.791
flat angles P-C4'-P energy: -9.417
tors. eta vs tors. theta energy: -5.394
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: 5
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -86.429870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.429870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.429870 (E_RNA)
where:
Base-Base interactions energy: -34.047
where: short stacking energy: -34.047
Base-Backbone interact. energy: -0.212
local terms energy: -52.170493
where:
bonds (distance) C4'-P energy: -17.080
bonds (distance) P-C4' energy: -15.151
flat angles C4'-P-C4' energy: -12.968
flat angles P-C4'-P energy: -4.630
tors. eta vs tors. theta energy: -2.341
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: 8
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -75.384847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.384847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.384847 (E_RNA)
where:
Base-Base interactions energy: -31.697
where: short stacking energy: -26.729
Base-Backbone interact. energy: -0.112
local terms energy: -43.575939
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -12.383
flat angles C4'-P-C4' energy: -10.305
flat angles P-C4'-P energy: -8.207
tors. eta vs tors. theta energy: 0.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -220.420391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.420391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.420391 (E_RNA)
where:
Base-Base interactions energy: -144.294
where: short stacking energy: -70.065
Base-Backbone interact. energy: -0.010
local terms energy: -76.116388
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -16.753
flat angles P-C4'-P energy: -9.226
tors. eta vs tors. theta energy: -20.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -217.159202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.159202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.159202 (E_RNA)
where:
Base-Base interactions energy: -136.489
where: short stacking energy: -66.442
Base-Backbone interact. energy: -1.298
local terms energy: -79.372740
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -14.470
flat angles P-C4'-P energy: -11.197
tors. eta vs tors. theta energy: -20.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -210.756063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.756063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.756063 (E_RNA)
where:
Base-Base interactions energy: -132.089
where: short stacking energy: -71.017
Base-Backbone interact. energy: -0.130
local terms energy: -78.537219
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -9.986
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: 4, replica: 2
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -208.164771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.164771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.164771 (E_RNA)
where:
Base-Base interactions energy: -131.626
where: short stacking energy: -64.783
Base-Backbone interact. energy: -0.399
local terms energy: -76.140081
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -18.194
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -17.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -198.501761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.501761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.501761 (E_RNA)
where:
Base-Base interactions energy: -125.281
where: short stacking energy: -59.591
Base-Backbone interact. energy: -0.295
local terms energy: -72.925542
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -17.986
flat angles P-C4'-P energy: -11.569
tors. eta vs tors. theta energy: -14.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -95.153387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.153387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.153387 (E_RNA)
where:
Base-Base interactions energy: -45.651
where: short stacking energy: -45.651
Base-Backbone interact. energy: -0.118
local terms energy: -49.384000
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -11.038
flat angles C4'-P-C4' energy: -12.653
flat angles P-C4'-P energy: -4.034
tors. eta vs tors. theta energy: -5.788
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: 7
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -91.289052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.289052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.289052 (E_RNA)
where:
Base-Base interactions energy: -32.520
where: short stacking energy: -31.914
Base-Backbone interact. energy: -0.188
local terms energy: -58.580332
where:
bonds (distance) C4'-P energy: -11.096
bonds (distance) P-C4' energy: -14.277
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -10.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -91.014751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.014751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.014751 (E_RNA)
where:
Base-Base interactions energy: -37.436
where: short stacking energy: -28.863
Base-Backbone interact. energy: -0.240
local terms energy: -53.339143
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -12.627
flat angles P-C4'-P energy: -8.575
tors. eta vs tors. theta energy: -3.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -79.999291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.999291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.999291 (E_RNA)
where:
Base-Base interactions energy: -26.224
where: short stacking energy: -24.452
Base-Backbone interact. energy: -1.122
local terms energy: -52.653117
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -16.849
flat angles C4'-P-C4' energy: -12.701
flat angles P-C4'-P energy: -8.243
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: 10, replica: 8
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -66.236384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.236384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.236384 (E_RNA)
where:
Base-Base interactions energy: -22.536
where: short stacking energy: -18.180
Base-Backbone interact. energy: 0.819
local terms energy: -44.519223
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -11.449
flat angles P-C4'-P energy: -7.963
tors. eta vs tors. theta energy: 3.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -217.251609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.251609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.251609 (E_RNA)
where:
Base-Base interactions energy: -139.164
where: short stacking energy: -71.729
Base-Backbone interact. energy: -0.024
local terms energy: -78.063318
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -14.503
flat angles C4'-P-C4' energy: -14.963
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -21.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -216.655263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.655263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.655263 (E_RNA)
where:
Base-Base interactions energy: -133.537
where: short stacking energy: -64.389
Base-Backbone interact. energy: -0.014
local terms energy: -83.104269
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -14.856
flat angles P-C4'-P energy: -14.346
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: 3, replica: 2
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -210.643285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.643285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.643285 (E_RNA)
where:
Base-Base interactions energy: -136.277
where: short stacking energy: -74.145
Base-Backbone interact. energy: -1.126
local terms energy: -73.240908
where:
bonds (distance) C4'-P energy: -10.634
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -17.955
flat angles P-C4'-P energy: -9.964
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: 4, replica: 6
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -200.304047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.304047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.304047 (E_RNA)
where:
Base-Base interactions energy: -127.664
where: short stacking energy: -66.522
Base-Backbone interact. energy: -0.632
local terms energy: -72.007633
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -16.741
flat angles C4'-P-C4' energy: -13.544
flat angles P-C4'-P energy: -8.248
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: 5, replica: 1
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -182.461390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.461390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.461390 (E_RNA)
where:
Base-Base interactions energy: -114.579
where: short stacking energy: -58.117
Base-Backbone interact. energy: -0.092
local terms energy: -67.790582
where:
bonds (distance) C4'-P energy: -10.994
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -15.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -106.911386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.911386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.911386 (E_RNA)
where:
Base-Base interactions energy: -38.214
where: short stacking energy: -36.387
Base-Backbone interact. energy: -0.051
local terms energy: -68.645579
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -17.719
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: -7.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -86.926895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.926895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.926895 (E_RNA)
where:
Base-Base interactions energy: -37.153
where: short stacking energy: -36.922
Base-Backbone interact. energy: -0.095
local terms energy: -49.679081
where:
bonds (distance) C4'-P energy: -6.551
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -8.902
tors. eta vs tors. theta energy: -4.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -77.995155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.995155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.995155 (E_RNA)
where:
Base-Base interactions energy: -34.316
where: short stacking energy: -28.899
Base-Backbone interact. energy: 2.952
local terms energy: -46.631818
where:
bonds (distance) C4'-P energy: -6.703
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -7.658
tors. eta vs tors. theta energy: -2.241
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: 8
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -83.184151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.184151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.184151 (E_RNA)
where:
Base-Base interactions energy: -34.302
where: short stacking energy: -33.589
Base-Backbone interact. energy: -0.354
local terms energy: -48.528027
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -12.202
flat angles P-C4'-P energy: -4.146
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: 10, replica: 9
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -70.483959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.483959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.483959 (E_RNA)
where:
Base-Base interactions energy: -26.536
where: short stacking energy: -26.536
Base-Backbone interact. energy: 0.200
local terms energy: -44.147721
where:
bonds (distance) C4'-P energy: -10.567
bonds (distance) P-C4' energy: -14.130
flat angles C4'-P-C4' energy: -10.134
flat angles P-C4'-P energy: -5.715
tors. eta vs tors. theta energy: -3.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -222.522380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.522380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.522380 (E_RNA)
where:
Base-Base interactions energy: -143.198
where: short stacking energy: -71.034
Base-Backbone interact. energy: -0.067
local terms energy: -79.256952
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -13.396
tors. eta vs tors. theta energy: -19.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -205.945672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.945672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.945672 (E_RNA)
where:
Base-Base interactions energy: -133.599
where: short stacking energy: -66.232
Base-Backbone interact. energy: -0.022
local terms energy: -72.324572
where:
bonds (distance) C4'-P energy: -10.518
bonds (distance) P-C4' energy: -11.862
flat angles C4'-P-C4' energy: -18.827
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -19.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -190.559532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.559532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.559532 (E_RNA)
where:
Base-Base interactions energy: -121.940
where: short stacking energy: -60.944
Base-Backbone interact. energy: -0.010
local terms energy: -68.608976
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -14.243
flat angles P-C4'-P energy: -8.971
tors. eta vs tors. theta energy: -14.176
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: 257
Temperature: 1.050000
Total energy: -216.462837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.462837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.462837 (E_RNA)
where:
Base-Base interactions energy: -139.380
where: short stacking energy: -66.845
Base-Backbone interact. energy: -0.039
local terms energy: -77.044496
where:
bonds (distance) C4'-P energy: -10.243
bonds (distance) P-C4' energy: -15.454
flat angles C4'-P-C4' energy: -17.829
flat angles P-C4'-P energy: -10.914
tors. eta vs tors. theta energy: -22.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -180.721128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.721128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.721128 (E_RNA)
where:
Base-Base interactions energy: -107.135
where: short stacking energy: -52.192
Base-Backbone interact. energy: 0.072
local terms energy: -73.658265
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -8.931
tors. eta vs tors. theta energy: -16.673
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: 6, replica: 7
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -91.549252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.549252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.549252 (E_RNA)
where:
Base-Base interactions energy: -39.953
where: short stacking energy: -15.179
Base-Backbone interact. energy: -0.880
local terms energy: -50.716489
where:
bonds (distance) C4'-P energy: -16.493
bonds (distance) P-C4' energy: -13.123
flat angles C4'-P-C4' energy: -13.471
flat angles P-C4'-P energy: -6.479
tors. eta vs tors. theta energy: -1.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -95.166871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.166871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.166871 (E_RNA)
where:
Base-Base interactions energy: -41.256
where: short stacking energy: -28.597
Base-Backbone interact. energy: 0.516
local terms energy: -54.426992
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -11.605
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -6.821
tors. eta vs tors. theta energy: -7.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -86.432485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.432485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.432485 (E_RNA)
where:
Base-Base interactions energy: -34.488
where: short stacking energy: -34.488
Base-Backbone interact. energy: -0.115
local terms energy: -51.829606
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -11.384
flat angles C4'-P-C4' energy: -11.027
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -7.137
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: 9, replica: 5
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -86.992764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.992764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.992764 (E_RNA)
where:
Base-Base interactions energy: -35.317
where: short stacking energy: -34.850
Base-Backbone interact. energy: -0.157
local terms energy: -51.519073
where:
bonds (distance) C4'-P energy: -7.764
bonds (distance) P-C4' energy: -13.329
flat angles C4'-P-C4' energy: -15.163
flat angles P-C4'-P energy: -7.752
tors. eta vs tors. theta energy: -7.510
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: 9
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -79.808862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.808862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.808862 (E_RNA)
where:
Base-Base interactions energy: -31.149
where: short stacking energy: -25.387
Base-Backbone interact. energy: -0.028
local terms energy: -48.631988
where:
bonds (distance) C4'-P energy: -12.692
bonds (distance) P-C4' energy: -11.461
flat angles C4'-P-C4' energy: -13.403
flat angles P-C4'-P energy: -5.678
tors. eta vs tors. theta energy: -5.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -201.304352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.304352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.304352 (E_RNA)
where:
Base-Base interactions energy: -123.986
where: short stacking energy: -61.402
Base-Backbone interact. energy: -0.464
local terms energy: -76.854496
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -17.412
flat angles P-C4'-P energy: -10.800
tors. eta vs tors. theta energy: -18.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -219.672386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.672386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.672386 (E_RNA)
where:
Base-Base interactions energy: -143.464
where: short stacking energy: -71.032
Base-Backbone interact. energy: -0.180
local terms energy: -76.027759
where:
bonds (distance) C4'-P energy: -11.963
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -17.552
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -20.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -210.747919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.747919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.747919 (E_RNA)
where:
Base-Base interactions energy: -134.959
where: short stacking energy: -69.875
Base-Backbone interact. energy: -0.007
local terms energy: -75.781375
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -14.459
flat angles C4'-P-C4' energy: -14.492
flat angles P-C4'-P energy: -12.446
tors. eta vs tors. theta energy: -18.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -200.752465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.752465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.752465 (E_RNA)
where:
Base-Base interactions energy: -131.596
where: short stacking energy: -70.131
Base-Backbone interact. energy: 0.668
local terms energy: -69.824576
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -12.324
flat angles C4'-P-C4' energy: -16.738
flat angles P-C4'-P energy: -7.570
tors. eta vs tors. theta energy: -18.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -181.328276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.328276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.328276 (E_RNA)
where:
Base-Base interactions energy: -104.363
where: short stacking energy: -50.924
Base-Backbone interact. energy: -0.082
local terms energy: -76.883068
where:
bonds (distance) C4'-P energy: -16.689
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -15.455
flat angles P-C4'-P energy: -11.919
tors. eta vs tors. theta energy: -16.675
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: 7
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -90.188228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.188228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.188228 (E_RNA)
where:
Base-Base interactions energy: -36.682
where: short stacking energy: -36.682
Base-Backbone interact. energy: -0.106
local terms energy: -53.399442
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -9.933
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -6.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -93.493130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.493130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.493130 (E_RNA)
where:
Base-Base interactions energy: -32.033
where: short stacking energy: -30.812
Base-Backbone interact. energy: -0.074
local terms energy: -61.386060
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -9.869
tors. eta vs tors. theta energy: -7.079
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: 3
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -84.394335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.394335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.394335 (E_RNA)
where:
Base-Base interactions energy: -33.193
where: short stacking energy: -33.193
Base-Backbone interact. energy: -0.129
local terms energy: -51.071406
where:
bonds (distance) C4'-P energy: -11.606
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -13.075
flat angles P-C4'-P energy: -8.658
tors. eta vs tors. theta energy: -3.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -79.331842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.331842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.331842 (E_RNA)
where:
Base-Base interactions energy: -24.006
where: short stacking energy: -24.006
Base-Backbone interact. energy: -0.005
local terms energy: -55.321315
where:
bonds (distance) C4'-P energy: -8.609
bonds (distance) P-C4' energy: -14.083
flat angles C4'-P-C4' energy: -13.853
flat angles P-C4'-P energy: -10.207
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: 10, replica: 5
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -75.778924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.778924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.778924 (E_RNA)
where:
Base-Base interactions energy: -22.623
where: short stacking energy: -17.484
Base-Backbone interact. energy: 0.379
local terms energy: -53.534899
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -11.548
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -2.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -218.883712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.883712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.883712 (E_RNA)
where:
Base-Base interactions energy: -137.950
where: short stacking energy: -67.581
Base-Backbone interact. energy: -0.009
local terms energy: -80.923863
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -16.719
flat angles P-C4'-P energy: -11.169
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: 2, replica: 6
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -220.313499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.313499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.313499 (E_RNA)
where:
Base-Base interactions energy: -144.178
where: short stacking energy: -76.982
Base-Backbone interact. energy: -0.001
local terms energy: -76.134961
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -16.537
flat angles C4'-P-C4' energy: -13.591
flat angles P-C4'-P energy: -9.604
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: 10
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -210.952974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.952974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.952974 (E_RNA)
where:
Base-Base interactions energy: -136.732
where: short stacking energy: -66.924
Base-Backbone interact. energy: -0.684
local terms energy: -73.537292
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -16.833
flat angles P-C4'-P energy: -13.577
tors. eta vs tors. theta energy: -14.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -206.569073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.569073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.569073 (E_RNA)
where:
Base-Base interactions energy: -135.801
where: short stacking energy: -64.611
Base-Backbone interact. energy: -0.141
local terms energy: -70.627491
where:
bonds (distance) C4'-P energy: -12.229
bonds (distance) P-C4' energy: -14.634
flat angles C4'-P-C4' energy: -18.241
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: -16.524
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: 1
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -187.496261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.496261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.496261 (E_RNA)
where:
Base-Base interactions energy: -118.561
where: short stacking energy: -58.456
Base-Backbone interact. energy: -0.100
local terms energy: -68.835885
where:
bonds (distance) C4'-P energy: -13.878
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -17.442
flat angles P-C4'-P energy: -9.613
tors. eta vs tors. theta energy: -13.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -98.846358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.846358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.846358 (E_RNA)
where:
Base-Base interactions energy: -41.507
where: short stacking energy: -36.232
Base-Backbone interact. energy: -0.014
local terms energy: -57.325415
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -11.526
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -6.621
tors. eta vs tors. theta energy: -12.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -94.185889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.185889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.185889 (E_RNA)
where:
Base-Base interactions energy: -39.979
where: short stacking energy: -24.855
Base-Backbone interact. energy: 0.897
local terms energy: -55.104044
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -13.891
flat angles P-C4'-P energy: -9.321
tors. eta vs tors. theta energy: -2.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -89.881556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.881556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.881556 (E_RNA)
where:
Base-Base interactions energy: -39.599
where: short stacking energy: -37.646
Base-Backbone interact. energy: -0.293
local terms energy: -49.989598
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -8.462
flat angles P-C4'-P energy: -12.854
tors. eta vs tors. theta energy: -3.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -87.547120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.547120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.547120 (E_RNA)
where:
Base-Base interactions energy: -31.816
where: short stacking energy: -29.621
Base-Backbone interact. energy: -0.420
local terms energy: -55.311542
where:
bonds (distance) C4'-P energy: -11.582
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -14.752
flat angles P-C4'-P energy: -11.235
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: 10, replica: 5
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -86.802081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.802081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.802081 (E_RNA)
where:
Base-Base interactions energy: -35.543
where: short stacking energy: -26.797
Base-Backbone interact. energy: -0.305
local terms energy: -50.954288
where:
bonds (distance) C4'-P energy: -9.118
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -16.120
flat angles P-C4'-P energy: -8.220
tors. eta vs tors. theta energy: -2.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -225.368672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.368672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.368672 (E_RNA)
where:
Base-Base interactions energy: -147.619
where: short stacking energy: -74.993
Base-Backbone interact. energy: -0.082
local terms energy: -77.667688
where:
bonds (distance) C4'-P energy: -10.969
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -17.843
flat angles P-C4'-P energy: -10.849
tors. eta vs tors. theta energy: -21.401
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: 4
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -213.734510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.734510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.734510 (E_RNA)
where:
Base-Base interactions energy: -146.299
where: short stacking energy: -61.460
Base-Backbone interact. energy: -0.109
local terms energy: -67.326228
where:
bonds (distance) C4'-P energy: -14.553
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -10.697
flat angles P-C4'-P energy: -7.748
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: 3, replica: 10
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -221.111364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.111364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.111364 (E_RNA)
where:
Base-Base interactions energy: -144.705
where: short stacking energy: -73.073
Base-Backbone interact. energy: -0.124
local terms energy: -76.283284
where:
bonds (distance) C4'-P energy: -12.351
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -17.686
flat angles P-C4'-P energy: -10.020
tors. eta vs tors. theta energy: -20.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -198.549301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.549301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.549301 (E_RNA)
where:
Base-Base interactions energy: -134.115
where: short stacking energy: -63.619
Base-Backbone interact. energy: -0.236
local terms energy: -64.198364
where:
bonds (distance) C4'-P energy: -9.877
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -13.188
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: -15.309
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: 1
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -179.469390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.469390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.469390 (E_RNA)
where:
Base-Base interactions energy: -116.076
where: short stacking energy: -57.906
Base-Backbone interact. energy: -0.303
local terms energy: -63.089907
where:
bonds (distance) C4'-P energy: -11.487
bonds (distance) P-C4' energy: -10.113
flat angles C4'-P-C4' energy: -14.888
flat angles P-C4'-P energy: -12.791
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: 6, replica: 8
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -95.987383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.987383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.987383 (E_RNA)
where:
Base-Base interactions energy: -41.578
where: short stacking energy: -32.323
Base-Backbone interact. energy: 0.891
local terms energy: -55.300128
where:
bonds (distance) C4'-P energy: -13.733
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -15.580
flat angles P-C4'-P energy: -6.599
tors. eta vs tors. theta energy: -5.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -90.826336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.826336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.826336 (E_RNA)
where:
Base-Base interactions energy: -34.852
where: short stacking energy: -34.852
Base-Backbone interact. energy: -0.022
local terms energy: -55.952393
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -8.392
flat angles P-C4'-P energy: -7.191
tors. eta vs tors. theta energy: -9.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -79.719581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.719581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.719581 (E_RNA)
where:
Base-Base interactions energy: -29.172
where: short stacking energy: -28.846
Base-Backbone interact. energy: -0.327
local terms energy: -50.220984
where:
bonds (distance) C4'-P energy: -12.295
bonds (distance) P-C4' energy: -13.333
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -2.843
tors. eta vs tors. theta energy: -6.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -77.205568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.205568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.205568 (E_RNA)
where:
Base-Base interactions energy: -34.727
where: short stacking energy: -29.899
Base-Backbone interact. energy: -0.069
local terms energy: -42.409724
where:
bonds (distance) C4'-P energy: -7.010
bonds (distance) P-C4' energy: -12.105
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -7.900
tors. eta vs tors. theta energy: -0.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -82.667312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.667312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.667312 (E_RNA)
where:
Base-Base interactions energy: -24.078
where: short stacking energy: -23.571
Base-Backbone interact. energy: 0.768
local terms energy: -59.358044
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -18.890
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -11.965
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: 6
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -220.966645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.966645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.966645 (E_RNA)
where:
Base-Base interactions energy: -139.477
where: short stacking energy: -70.421
Base-Backbone interact. energy: 0.092
local terms energy: -81.581651
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -17.899
flat angles P-C4'-P energy: -11.898
tors. eta vs tors. theta energy: -20.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -206.447084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.447084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.447084 (E_RNA)
where:
Base-Base interactions energy: -132.161
where: short stacking energy: -70.155
Base-Backbone interact. energy: -0.004
local terms energy: -74.281778
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -14.552
flat angles P-C4'-P energy: -9.636
tors. eta vs tors. theta energy: -18.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -215.117687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.117687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.117687 (E_RNA)
where:
Base-Base interactions energy: -140.999
where: short stacking energy: -72.300
Base-Backbone interact. energy: -1.491
local terms energy: -72.626907
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -6.660
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: 2
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -211.587263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.587263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.587263 (E_RNA)
where:
Base-Base interactions energy: -142.002
where: short stacking energy: -66.457
Base-Backbone interact. energy: -0.140
local terms energy: -69.445368
where:
bonds (distance) C4'-P energy: -7.976
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -14.041
flat angles P-C4'-P energy: -12.801
tors. eta vs tors. theta energy: -17.058
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: 1
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -177.467191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.467191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.467191 (E_RNA)
where:
Base-Base interactions energy: -106.820
where: short stacking energy: -56.119
Base-Backbone interact. energy: -1.252
local terms energy: -69.394355
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -12.891
flat angles P-C4'-P energy: -11.377
tors. eta vs tors. theta energy: -16.042
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: 9
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -84.680480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.680480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.680480 (E_RNA)
where:
Base-Base interactions energy: -37.462
where: short stacking energy: -37.462
Base-Backbone interact. energy: -0.118
local terms energy: -47.100445
where:
bonds (distance) C4'-P energy: -14.867
bonds (distance) P-C4' energy: -11.240
flat angles C4'-P-C4' energy: -11.476
flat angles P-C4'-P energy: -6.015
tors. eta vs tors. theta energy: -3.502
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: 8
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -92.110410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.110410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.110410 (E_RNA)
where:
Base-Base interactions energy: -35.022
where: short stacking energy: -30.752
Base-Backbone interact. energy: -0.135
local terms energy: -56.954058
where:
bonds (distance) C4'-P energy: -16.242
bonds (distance) P-C4' energy: -11.801
flat angles C4'-P-C4' energy: -13.695
flat angles P-C4'-P energy: -6.916
tors. eta vs tors. theta energy: -8.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -93.465182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.465182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.465182 (E_RNA)
where:
Base-Base interactions energy: -39.094
where: short stacking energy: -25.196
Base-Backbone interact. energy: -0.090
local terms energy: -54.281085
where:
bonds (distance) C4'-P energy: -11.093
bonds (distance) P-C4' energy: -10.309
flat angles C4'-P-C4' energy: -17.849
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: -3.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -74.948576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.948576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.948576 (E_RNA)
where:
Base-Base interactions energy: -28.278
where: short stacking energy: -19.920
Base-Backbone interact. energy: -0.482
local terms energy: -46.187681
where:
bonds (distance) C4'-P energy: -7.259
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -10.663
flat angles P-C4'-P energy: -12.975
tors. eta vs tors. theta energy: -0.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -74.606840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.606840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.606840 (E_RNA)
where:
Base-Base interactions energy: -20.128
where: short stacking energy: -20.128
Base-Backbone interact. energy: -0.130
local terms energy: -54.348985
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -16.069
flat angles P-C4'-P energy: -6.150
tors. eta vs tors. theta energy: -2.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -209.528965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.528965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.528965 (E_RNA)
where:
Base-Base interactions energy: -139.387
where: short stacking energy: -60.131
Base-Backbone interact. energy: -0.284
local terms energy: -69.858242
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -13.222
flat angles P-C4'-P energy: -11.203
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: 2, replica: 6
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -217.278967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.278967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.278967 (E_RNA)
where:
Base-Base interactions energy: -140.797
where: short stacking energy: -70.033
Base-Backbone interact. energy: -0.010
local terms energy: -76.472528
where:
bonds (distance) C4'-P energy: -9.999
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -16.970
flat angles P-C4'-P energy: -14.378
tors. eta vs tors. theta energy: -18.691
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: 262
Temperature: 1.000000
Total energy: -216.106274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.106274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.106274 (E_RNA)
where:
Base-Base interactions energy: -136.518
where: short stacking energy: -66.394
Base-Backbone interact. energy: -0.010
local terms energy: -79.577734
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -15.476
flat angles P-C4'-P energy: -11.474
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: 4, replica: 2
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -213.137845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.137845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.137845 (E_RNA)
where:
Base-Base interactions energy: -133.870
where: short stacking energy: -63.610
Base-Backbone interact. energy: 0.144
local terms energy: -79.411507
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -18.633
flat angles C4'-P-C4' energy: -15.137
flat angles P-C4'-P energy: -8.185
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: 5, replica: 1
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -201.467691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.467691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.467691 (E_RNA)
where:
Base-Base interactions energy: -129.394
where: short stacking energy: -61.066
Base-Backbone interact. energy: -0.002
local terms energy: -72.072417
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -16.695
flat angles C4'-P-C4' energy: -14.094
flat angles P-C4'-P energy: -11.767
tors. eta vs tors. theta energy: -14.797
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: 6, replica: 9
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -94.388347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.388347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.388347 (E_RNA)
where:
Base-Base interactions energy: -35.168
where: short stacking energy: -35.168
Base-Backbone interact. energy: -0.187
local terms energy: -59.033045
where:
bonds (distance) C4'-P energy: -15.890
bonds (distance) P-C4' energy: -17.406
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -5.330
tors. eta vs tors. theta energy: -6.789
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: 8
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -98.468745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.468745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.468745 (E_RNA)
where:
Base-Base interactions energy: -43.278
where: short stacking energy: -38.183
Base-Backbone interact. energy: -0.102
local terms energy: -55.089029
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -10.105
flat angles P-C4'-P energy: -7.160
tors. eta vs tors. theta energy: -5.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -83.198585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.198585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.198585 (E_RNA)
where:
Base-Base interactions energy: -30.070
where: short stacking energy: -24.730
Base-Backbone interact. energy: -0.626
local terms energy: -52.502899
where:
bonds (distance) C4'-P energy: -12.885
bonds (distance) P-C4' energy: -15.175
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -8.015
tors. eta vs tors. theta energy: -1.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -90.231273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.231273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.231273 (E_RNA)
where:
Base-Base interactions energy: -39.069
where: short stacking energy: -37.941
Base-Backbone interact. energy: -0.110
local terms energy: -51.052344
where:
bonds (distance) C4'-P energy: -8.083
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -12.365
flat angles P-C4'-P energy: -10.257
tors. eta vs tors. theta energy: -6.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -76.163024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.163024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.163024 (E_RNA)
where:
Base-Base interactions energy: -28.905
where: short stacking energy: -22.939
Base-Backbone interact. energy: -0.147
local terms energy: -47.110909
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -15.289
flat angles C4'-P-C4' energy: -12.616
flat angles P-C4'-P energy: -4.430
tors. eta vs tors. theta energy: -2.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -218.383262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.383262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.383262 (E_RNA)
where:
Base-Base interactions energy: -141.984
where: short stacking energy: -69.585
Base-Backbone interact. energy: -0.157
local terms energy: -76.242328
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -16.273
flat angles C4'-P-C4' energy: -17.011
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: -15.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -218.790771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.790771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.790771 (E_RNA)
where:
Base-Base interactions energy: -143.777
where: short stacking energy: -77.732
Base-Backbone interact. energy: -0.015
local terms energy: -74.998340
where:
bonds (distance) C4'-P energy: -12.721
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -16.556
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: -20.729
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: 3, replica: 6
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -213.293749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.293749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.293749 (E_RNA)
where:
Base-Base interactions energy: -141.477
where: short stacking energy: -70.205
Base-Backbone interact. energy: -0.049
local terms energy: -71.767564
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -11.697
flat angles C4'-P-C4' energy: -14.240
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -21.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -203.732138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.732138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.732138 (E_RNA)
where:
Base-Base interactions energy: -130.410
where: short stacking energy: -64.319
Base-Backbone interact. energy: -0.435
local terms energy: -72.887672
where:
bonds (distance) C4'-P energy: -10.679
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -13.659
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: 1
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -185.044249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.044249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.044249 (E_RNA)
where:
Base-Base interactions energy: -121.697
where: short stacking energy: -61.807
Base-Backbone interact. energy: -0.731
local terms energy: -62.615881
where:
bonds (distance) C4'-P energy: -13.700
bonds (distance) P-C4' energy: -11.651
flat angles C4'-P-C4' energy: -13.995
flat angles P-C4'-P energy: -5.959
tors. eta vs tors. theta energy: -17.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -93.170271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.170271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.170271 (E_RNA)
where:
Base-Base interactions energy: -41.074
where: short stacking energy: -41.074
Base-Backbone interact. energy: -0.022
local terms energy: -52.074749
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -10.209
flat angles C4'-P-C4' energy: -15.981
flat angles P-C4'-P energy: -7.139
tors. eta vs tors. theta energy: -5.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -94.980794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.980794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.980794 (E_RNA)
where:
Base-Base interactions energy: -36.260
where: short stacking energy: -31.235
Base-Backbone interact. energy: -0.255
local terms energy: -58.465845
where:
bonds (distance) C4'-P energy: -11.516
bonds (distance) P-C4' energy: -17.246
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -10.020
tors. eta vs tors. theta energy: -5.296
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: 263
Temperature: 1.250000
Total energy: -95.984416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.984416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.984416 (E_RNA)
where:
Base-Base interactions energy: -47.741
where: short stacking energy: -36.452
Base-Backbone interact. energy: -0.403
local terms energy: -47.840597
where:
bonds (distance) C4'-P energy: -5.280
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -13.199
flat angles P-C4'-P energy: -12.432
tors. eta vs tors. theta energy: -1.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -82.643230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.643230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.643230 (E_RNA)
where:
Base-Base interactions energy: -30.648
where: short stacking energy: -30.748
Base-Backbone interact. energy: -0.317
local terms energy: -51.678890
where:
bonds (distance) C4'-P energy: -12.351
bonds (distance) P-C4' energy: -10.872
flat angles C4'-P-C4' energy: -9.976
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: -8.585
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: 3
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -91.370964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.370964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.370964 (E_RNA)
where:
Base-Base interactions energy: -47.554
where: short stacking energy: -27.690
Base-Backbone interact. energy: -0.323
local terms energy: -43.494423
where:
bonds (distance) C4'-P energy: -11.520
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -11.142
flat angles P-C4'-P energy: -1.583
tors. eta vs tors. theta energy: -4.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -228.583032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.583032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.583032 (E_RNA)
where:
Base-Base interactions energy: -142.382
where: short stacking energy: -67.164
Base-Backbone interact. energy: -0.001
local terms energy: -86.199732
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -15.807
flat angles C4'-P-C4' energy: -18.876
flat angles P-C4'-P energy: -13.460
tors. eta vs tors. theta energy: -21.947
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: 4
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -219.966540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.966540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.966540 (E_RNA)
where:
Base-Base interactions energy: -136.125
where: short stacking energy: -65.754
Base-Backbone interact. energy: -1.135
local terms energy: -82.706169
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -17.455
flat angles C4'-P-C4' energy: -17.477
flat angles P-C4'-P energy: -10.057
tors. eta vs tors. theta energy: -21.205
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: 6
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -211.873668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.873668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.873668 (E_RNA)
where:
Base-Base interactions energy: -140.248
where: short stacking energy: -69.657
Base-Backbone interact. energy: -0.004
local terms energy: -71.621829
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -14.492
flat angles C4'-P-C4' energy: -14.982
flat angles P-C4'-P energy: -10.359
tors. eta vs tors. theta energy: -16.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -185.727102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.727102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.727102 (E_RNA)
where:
Base-Base interactions energy: -115.852
where: short stacking energy: -63.649
Base-Backbone interact. energy: 0.451
local terms energy: -70.326010
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -13.017
flat angles C4'-P-C4' energy: -16.485
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: -15.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -201.856500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.856500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.856500 (E_RNA)
where:
Base-Base interactions energy: -122.729
where: short stacking energy: -67.876
Base-Backbone interact. energy: -0.001
local terms energy: -79.125994
where:
bonds (distance) C4'-P energy: -18.258
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -15.726
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -18.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -109.122680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.122680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.122680 (E_RNA)
where:
Base-Base interactions energy: -52.847
where: short stacking energy: -33.715
Base-Backbone interact. energy: -0.159
local terms energy: -56.116637
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -10.407
flat angles P-C4'-P energy: -8.825
tors. eta vs tors. theta energy: -5.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -95.411892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.411892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.411892 (E_RNA)
where:
Base-Base interactions energy: -44.778
where: short stacking energy: -23.447
Base-Backbone interact. energy: -0.579
local terms energy: -50.055323
where:
bonds (distance) C4'-P energy: -13.050
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -10.868
flat angles P-C4'-P energy: -8.266
tors. eta vs tors. theta energy: -4.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -83.563800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.563800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.563800 (E_RNA)
where:
Base-Base interactions energy: -32.388
where: short stacking energy: -32.388
Base-Backbone interact. energy: -0.193
local terms energy: -50.982502
where:
bonds (distance) C4'-P energy: -8.842
bonds (distance) P-C4' energy: -15.641
flat angles C4'-P-C4' energy: -11.421
flat angles P-C4'-P energy: -10.036
tors. eta vs tors. theta energy: -5.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -85.437291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.437291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.437291 (E_RNA)
where:
Base-Base interactions energy: -32.247
where: short stacking energy: -23.516
Base-Backbone interact. energy: -0.246
local terms energy: -52.944326
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -13.606
flat angles C4'-P-C4' energy: -9.031
flat angles P-C4'-P energy: -10.874
tors. eta vs tors. theta energy: -4.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -70.804930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.804930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.804930 (E_RNA)
where:
Base-Base interactions energy: -31.287
where: short stacking energy: -22.732
Base-Backbone interact. energy: -0.196
local terms energy: -39.321562
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -1.229
tors. eta vs tors. theta energy: 3.625
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: 10
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -222.874604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.874604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.874604 (E_RNA)
where:
Base-Base interactions energy: -141.577
where: short stacking energy: -70.440
Base-Backbone interact. energy: -0.030
local terms energy: -81.267060
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -15.956
flat angles P-C4'-P energy: -11.919
tors. eta vs tors. theta energy: -21.445
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: 2, replica: 4
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -213.626078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.626078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.626078 (E_RNA)
where:
Base-Base interactions energy: -138.420
where: short stacking energy: -72.708
Base-Backbone interact. energy: -0.022
local terms energy: -75.184379
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -11.603
flat angles C4'-P-C4' energy: -14.350
flat angles P-C4'-P energy: -13.528
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: 3, replica: 6
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -205.955887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.955887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.955887 (E_RNA)
where:
Base-Base interactions energy: -132.363
where: short stacking energy: -63.349
Base-Backbone interact. energy: -0.076
local terms energy: -73.517314
where:
bonds (distance) C4'-P energy: -16.980
bonds (distance) P-C4' energy: -13.630
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -14.125
tors. eta vs tors. theta energy: -14.192
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: 1
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -201.917362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.917362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.917362 (E_RNA)
where:
Base-Base interactions energy: -128.485
where: short stacking energy: -66.703
Base-Backbone interact. energy: -0.019
local terms energy: -73.413523
where:
bonds (distance) C4'-P energy: -10.294
bonds (distance) P-C4' energy: -14.488
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -12.918
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: 2
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -181.121959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.121959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.121959 (E_RNA)
where:
Base-Base interactions energy: -110.953
where: short stacking energy: -53.419
Base-Backbone interact. energy: -0.002
local terms energy: -70.166568
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -7.578
tors. eta vs tors. theta energy: -16.715
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: 7
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -93.578493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.578493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.578493 (E_RNA)
where:
Base-Base interactions energy: -35.856
where: short stacking energy: -35.956
Base-Backbone interact. energy: -0.635
local terms energy: -57.087182
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -7.282
tors. eta vs tors. theta energy: -7.796
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: 8
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -108.739192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.739192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.739192 (E_RNA)
where:
Base-Base interactions energy: -45.316
where: short stacking energy: -45.316
Base-Backbone interact. energy: -0.710
local terms energy: -62.713460
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -13.280
flat angles C4'-P-C4' energy: -14.785
flat angles P-C4'-P energy: -5.521
tors. eta vs tors. theta energy: -14.996
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: 3
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -90.362199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.362199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.362199 (E_RNA)
where:
Base-Base interactions energy: -35.868
where: short stacking energy: -28.369
Base-Backbone interact. energy: -0.182
local terms energy: -54.312694
where:
bonds (distance) C4'-P energy: -11.622
bonds (distance) P-C4' energy: -14.776
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -7.613
tors. eta vs tors. theta energy: -5.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -87.167436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.167436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.167436 (E_RNA)
where:
Base-Base interactions energy: -38.407
where: short stacking energy: -38.407
Base-Backbone interact. energy: -0.148
local terms energy: -48.611741
where:
bonds (distance) C4'-P energy: -13.909
bonds (distance) P-C4' energy: -15.313
flat angles C4'-P-C4' energy: -14.092
flat angles P-C4'-P energy: 2.239
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: 5
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -74.003082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.003082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.003082 (E_RNA)
where:
Base-Base interactions energy: -27.053
where: short stacking energy: -17.391
Base-Backbone interact. energy: -0.378
local terms energy: -46.571382
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -13.596
flat angles C4'-P-C4' energy: -9.529
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -1.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -222.737799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.737799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.737799 (E_RNA)
where:
Base-Base interactions energy: -146.708
where: short stacking energy: -63.275
Base-Backbone interact. energy: -0.045
local terms energy: -75.984170
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -16.673
flat angles P-C4'-P energy: -12.013
tors. eta vs tors. theta energy: -18.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -219.132489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.132489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.132489 (E_RNA)
where:
Base-Base interactions energy: -141.496
where: short stacking energy: -71.885
Base-Backbone interact. energy: -0.015
local terms energy: -77.621610
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -14.002
flat angles C4'-P-C4' energy: -16.452
flat angles P-C4'-P energy: -8.246
tors. eta vs tors. theta energy: -22.447
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: 1
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -209.781193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.781193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.781193 (E_RNA)
where:
Base-Base interactions energy: -136.840
where: short stacking energy: -66.245
Base-Backbone interact. energy: 0.402
local terms energy: -73.342546
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -14.074
flat angles P-C4'-P energy: -9.525
tors. eta vs tors. theta energy: -21.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -196.421892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.421892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.421892 (E_RNA)
where:
Base-Base interactions energy: -119.363
where: short stacking energy: -62.921
Base-Backbone interact. energy: -0.002
local terms energy: -77.056424
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -16.353
flat angles P-C4'-P energy: -11.033
tors. eta vs tors. theta energy: -17.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -193.926720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.926720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.926720 (E_RNA)
where:
Base-Base interactions energy: -125.544
where: short stacking energy: -67.947
Base-Backbone interact. energy: -0.120
local terms energy: -68.263198
where:
bonds (distance) C4'-P energy: -11.420
bonds (distance) P-C4' energy: -12.977
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -17.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -104.006013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.006013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.006013 (E_RNA)
where:
Base-Base interactions energy: -39.383
where: short stacking energy: -39.383
Base-Backbone interact. energy: -0.003
local terms energy: -64.620002
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -14.891
flat angles C4'-P-C4' energy: -12.544
flat angles P-C4'-P energy: -10.625
tors. eta vs tors. theta energy: -14.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -88.374309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.374309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.374309 (E_RNA)
where:
Base-Base interactions energy: -34.503
where: short stacking energy: -27.846
Base-Backbone interact. energy: -0.229
local terms energy: -53.642020
where:
bonds (distance) C4'-P energy: -11.345
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -17.446
flat angles P-C4'-P energy: -7.179
tors. eta vs tors. theta energy: -4.242
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: 8
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -82.826740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.826740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.826740 (E_RNA)
where:
Base-Base interactions energy: -27.559
where: short stacking energy: -27.559
Base-Backbone interact. energy: -0.017
local terms energy: -55.250888
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -11.591
flat angles P-C4'-P energy: -6.174
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: 9, replica: 5
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -78.041255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.041255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.041255 (E_RNA)
where:
Base-Base interactions energy: -35.264
where: short stacking energy: -27.883
Base-Backbone interact. energy: 0.238
local terms energy: -43.015646
where:
bonds (distance) C4'-P energy: -11.937
bonds (distance) P-C4' energy: -10.869
flat angles C4'-P-C4' energy: -14.297
flat angles P-C4'-P energy: -6.228
tors. eta vs tors. theta energy: 0.316
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: 266
Temperature: 1.350000
Total energy: -79.328448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.328448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.328448 (E_RNA)
where:
Base-Base interactions energy: -27.767
where: short stacking energy: -23.904
Base-Backbone interact. energy: -0.228
local terms energy: -51.332620
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -12.859
flat angles P-C4'-P energy: -3.216
tors. eta vs tors. theta energy: -4.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -230.436353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.436353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.436353 (E_RNA)
where:
Base-Base interactions energy: -147.391
where: short stacking energy: -74.909
Base-Backbone interact. energy: -0.065
local terms energy: -82.980653
where:
bonds (distance) C4'-P energy: -15.984
bonds (distance) P-C4' energy: -15.761
flat angles C4'-P-C4' energy: -16.139
flat angles P-C4'-P energy: -11.913
tors. eta vs tors. theta energy: -23.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -211.528645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.528645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.528645 (E_RNA)
where:
Base-Base interactions energy: -135.390
where: short stacking energy: -67.238
Base-Backbone interact. energy: -0.020
local terms energy: -76.118456
where:
bonds (distance) C4'-P energy: -14.265
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -16.966
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -16.984
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: 10
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -209.116217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.116217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.116217 (E_RNA)
where:
Base-Base interactions energy: -134.941
where: short stacking energy: -68.308
Base-Backbone interact. energy: -0.547
local terms energy: -73.628676
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -13.471
flat angles P-C4'-P energy: -12.205
tors. eta vs tors. theta energy: -18.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -209.727932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.727932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.727932 (E_RNA)
where:
Base-Base interactions energy: -137.662
where: short stacking energy: -62.987
Base-Backbone interact. energy: -0.579
local terms energy: -71.487114
where:
bonds (distance) C4'-P energy: -14.523
bonds (distance) P-C4' energy: -10.716
flat angles C4'-P-C4' energy: -15.765
flat angles P-C4'-P energy: -10.898
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: 5, replica: 6
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -196.739977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.739977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.739977 (E_RNA)
where:
Base-Base interactions energy: -127.543
where: short stacking energy: -63.162
Base-Backbone interact. energy: -0.002
local terms energy: -69.194588
where:
bonds (distance) C4'-P energy: -13.648
bonds (distance) P-C4' energy: -15.791
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -7.188
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: 6, replica: 3
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -99.785833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.785833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.785833 (E_RNA)
where:
Base-Base interactions energy: -43.469
where: short stacking energy: -42.011
Base-Backbone interact. energy: -0.993
local terms energy: -55.323099
where:
bonds (distance) C4'-P energy: -12.589
bonds (distance) P-C4' energy: -11.929
flat angles C4'-P-C4' energy: -11.624
flat angles P-C4'-P energy: -9.205
tors. eta vs tors. theta energy: -9.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -81.778155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.778155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.778155 (E_RNA)
where:
Base-Base interactions energy: -35.911
where: short stacking energy: -25.779
Base-Backbone interact. energy: -0.051
local terms energy: -45.816288
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -11.564
flat angles C4'-P-C4' energy: -9.073
flat angles P-C4'-P energy: -10.571
tors. eta vs tors. theta energy: 1.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -81.821655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.821655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.821655 (E_RNA)
where:
Base-Base interactions energy: -28.102
where: short stacking energy: -28.102
Base-Backbone interact. energy: -0.404
local terms energy: -53.315359
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -12.823
flat angles P-C4'-P energy: -7.662
tors. eta vs tors. theta energy: -7.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -76.847508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.847508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.847508 (E_RNA)
where:
Base-Base interactions energy: -30.393
where: short stacking energy: -14.624
Base-Backbone interact. energy: -0.192
local terms energy: -46.262087
where:
bonds (distance) C4'-P energy: -16.555
bonds (distance) P-C4' energy: -11.797
flat angles C4'-P-C4' energy: -11.145
flat angles P-C4'-P energy: -8.596
tors. eta vs tors. theta energy: 1.830
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: 10, replica: 9
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -85.314377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.314377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.314377 (E_RNA)
where:
Base-Base interactions energy: -37.556
where: short stacking energy: -25.679
Base-Backbone interact. energy: -0.894
local terms energy: -46.864320
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -11.585
flat angles P-C4'-P energy: -11.243
tors. eta vs tors. theta energy: 0.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -217.581178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.581178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.581178 (E_RNA)
where:
Base-Base interactions energy: -141.743
where: short stacking energy: -73.969
Base-Backbone interact. energy: -0.024
local terms energy: -75.814484
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -17.053
flat angles P-C4'-P energy: -8.917
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: 2, replica: 4
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -215.452185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.452185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.452185 (E_RNA)
where:
Base-Base interactions energy: -139.227
where: short stacking energy: -66.899
Base-Backbone interact. energy: -0.036
local terms energy: -76.189517
where:
bonds (distance) C4'-P energy: -16.484
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: -17.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -210.439116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.439116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.439116 (E_RNA)
where:
Base-Base interactions energy: -135.081
where: short stacking energy: -69.416
Base-Backbone interact. energy: 0.224
local terms energy: -75.581832
where:
bonds (distance) C4'-P energy: -11.703
bonds (distance) P-C4' energy: -16.090
flat angles C4'-P-C4' energy: -17.363
flat angles P-C4'-P energy: -10.925
tors. eta vs tors. theta energy: -19.501
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: 2
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -207.472093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.472093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.472093 (E_RNA)
where:
Base-Base interactions energy: -137.162
where: short stacking energy: -76.465
Base-Backbone interact. energy: -0.081
local terms energy: -70.229857
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -16.898
flat angles C4'-P-C4' energy: -12.385
flat angles P-C4'-P energy: -8.027
tors. eta vs tors. theta energy: -20.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -210.002411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.002411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.002411 (E_RNA)
where:
Base-Base interactions energy: -136.585
where: short stacking energy: -68.872
Base-Backbone interact. energy: 0.593
local terms energy: -74.010115
where:
bonds (distance) C4'-P energy: -12.201
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -9.152
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: 6, replica: 3
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -96.876655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.876655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.876655 (E_RNA)
where:
Base-Base interactions energy: -39.585
where: short stacking energy: -39.585
Base-Backbone interact. energy: -0.067
local terms energy: -57.224826
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -12.890
flat angles C4'-P-C4' energy: -12.727
flat angles P-C4'-P energy: -6.410
tors. eta vs tors. theta energy: -8.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -92.342500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.342500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.342500 (E_RNA)
where:
Base-Base interactions energy: -38.306
where: short stacking energy: -35.801
Base-Backbone interact. energy: -0.224
local terms energy: -53.812538
where:
bonds (distance) C4'-P energy: -12.651
bonds (distance) P-C4' energy: -12.597
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -4.784
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: 7
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -83.996631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.996631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.996631 (E_RNA)
where:
Base-Base interactions energy: -28.800
where: short stacking energy: -28.800
Base-Backbone interact. energy: -0.024
local terms energy: -55.172276
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -9.516
flat angles P-C4'-P energy: -8.891
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: 8
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -83.359851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.359851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.359851 (E_RNA)
where:
Base-Base interactions energy: -32.627
where: short stacking energy: -32.531
Base-Backbone interact. energy: -0.122
local terms energy: -50.611356
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -8.878
flat angles P-C4'-P energy: -7.729
tors. eta vs tors. theta energy: -5.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -74.456520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.456520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.456520 (E_RNA)
where:
Base-Base interactions energy: -28.849
where: short stacking energy: -19.571
Base-Backbone interact. energy: -0.413
local terms energy: -45.194252
where:
bonds (distance) C4'-P energy: -9.773
bonds (distance) P-C4' energy: -17.987
flat angles C4'-P-C4' energy: -8.452
flat angles P-C4'-P energy: -8.463
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: 1
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -222.250803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.250803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.250803 (E_RNA)
where:
Base-Base interactions energy: -138.238
where: short stacking energy: -73.717
Base-Backbone interact. energy: -0.035
local terms energy: -83.978429
where:
bonds (distance) C4'-P energy: -17.399
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -17.002
flat angles P-C4'-P energy: -14.119
tors. eta vs tors. theta energy: -21.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -214.384990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.384990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.384990 (E_RNA)
where:
Base-Base interactions energy: -134.219
where: short stacking energy: -68.885
Base-Backbone interact. energy: -0.557
local terms energy: -79.609504
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -15.795
flat angles P-C4'-P energy: -11.491
tors. eta vs tors. theta energy: -19.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -214.682148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.682148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.682148 (E_RNA)
where:
Base-Base interactions energy: -137.143
where: short stacking energy: -71.340
Base-Backbone interact. energy: -0.005
local terms energy: -77.534031
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -15.478
flat angles P-C4'-P energy: -12.471
tors. eta vs tors. theta energy: -21.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -208.377808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.377808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.377808 (E_RNA)
where:
Base-Base interactions energy: -138.046
where: short stacking energy: -67.069
Base-Backbone interact. energy: -0.438
local terms energy: -69.894479
where:
bonds (distance) C4'-P energy: -15.137
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -13.481
flat angles P-C4'-P energy: -5.755
tors. eta vs tors. theta energy: -17.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -207.010015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.010015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.010015 (E_RNA)
where:
Base-Base interactions energy: -135.633
where: short stacking energy: -68.567
Base-Backbone interact. energy: -0.380
local terms energy: -70.996593
where:
bonds (distance) C4'-P energy: -6.476
bonds (distance) P-C4' energy: -18.912
flat angles C4'-P-C4' energy: -14.303
flat angles P-C4'-P energy: -11.868
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: 6, replica: 5
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -107.697436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.697436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.697436 (E_RNA)
where:
Base-Base interactions energy: -51.312
where: short stacking energy: -25.580
Base-Backbone interact. energy: -0.023
local terms energy: -56.362310
where:
bonds (distance) C4'-P energy: -13.459
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -12.672
flat angles P-C4'-P energy: -6.322
tors. eta vs tors. theta energy: -8.302
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: 3
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -93.959596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.959596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.959596 (E_RNA)
where:
Base-Base interactions energy: -38.837
where: short stacking energy: -21.576
Base-Backbone interact. energy: 1.298
local terms energy: -56.420881
where:
bonds (distance) C4'-P energy: -16.176
bonds (distance) P-C4' energy: -16.186
flat angles C4'-P-C4' energy: -13.846
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: 0.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -92.597212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.597212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.597212 (E_RNA)
where:
Base-Base interactions energy: -43.497
where: short stacking energy: -32.291
Base-Backbone interact. energy: -0.119
local terms energy: -48.980803
where:
bonds (distance) C4'-P energy: -11.106
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -15.229
flat angles P-C4'-P energy: -2.141
tors. eta vs tors. theta energy: -2.712
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: 7
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -96.216835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.216835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.216835 (E_RNA)
where:
Base-Base interactions energy: -47.348
where: short stacking energy: -35.601
Base-Backbone interact. energy: 5.863
local terms energy: -54.732130
where:
bonds (distance) C4'-P energy: -9.044
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -7.406
tors. eta vs tors. theta energy: -8.465
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: 9
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -81.604563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.604563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.604563 (E_RNA)
where:
Base-Base interactions energy: -34.807
where: short stacking energy: -32.367
Base-Backbone interact. energy: -0.272
local terms energy: -46.525482
where:
bonds (distance) C4'-P energy: -16.106
bonds (distance) P-C4' energy: -9.293
flat angles C4'-P-C4' energy: -10.111
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -1.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -228.061687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.061687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.061687 (E_RNA)
where:
Base-Base interactions energy: -147.495
where: short stacking energy: -76.710
Base-Backbone interact. energy: -0.074
local terms energy: -80.492810
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -18.288
flat angles P-C4'-P energy: -12.609
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: 2, replica: 10
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -223.787672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.787672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.787672 (E_RNA)
where:
Base-Base interactions energy: -144.286
where: short stacking energy: -71.205
Base-Backbone interact. energy: -0.182
local terms energy: -79.319785
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -16.975
flat angles P-C4'-P energy: -13.122
tors. eta vs tors. theta energy: -20.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -198.013290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.013290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.013290 (E_RNA)
where:
Base-Base interactions energy: -133.250
where: short stacking energy: -64.416
Base-Backbone interact. energy: -0.219
local terms energy: -64.544660
where:
bonds (distance) C4'-P energy: -13.361
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -6.228
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: 4, replica: 4
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -189.262566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.262566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.262566 (E_RNA)
where:
Base-Base interactions energy: -118.476
where: short stacking energy: -56.257
Base-Backbone interact. energy: -0.432
local terms energy: -70.354922
where:
bonds (distance) C4'-P energy: -10.791
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -12.889
flat angles P-C4'-P energy: -13.018
tors. eta vs tors. theta energy: -17.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -183.002331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.002331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.002331 (E_RNA)
where:
Base-Base interactions energy: -118.878
where: short stacking energy: -53.490
Base-Backbone interact. energy: -0.133
local terms energy: -63.991213
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -13.175
flat angles C4'-P-C4' energy: -14.174
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -13.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -111.538271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.538271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.538271 (E_RNA)
where:
Base-Base interactions energy: -51.236
where: short stacking energy: -39.551
Base-Backbone interact. energy: -0.217
local terms energy: -60.085571
where:
bonds (distance) C4'-P energy: -12.724
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -7.214
tors. eta vs tors. theta energy: -10.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -102.314173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.314173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.314173 (E_RNA)
where:
Base-Base interactions energy: -51.642
where: short stacking energy: -41.077
Base-Backbone interact. energy: -0.152
local terms energy: -50.520397
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -9.924
flat angles C4'-P-C4' energy: -10.822
flat angles P-C4'-P energy: -8.266
tors. eta vs tors. theta energy: -8.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -79.432495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.432495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.432495 (E_RNA)
where:
Base-Base interactions energy: -35.867
where: short stacking energy: -34.140
Base-Backbone interact. energy: -0.172
local terms energy: -43.393824
where:
bonds (distance) C4'-P energy: -7.069
bonds (distance) P-C4' energy: -10.636
flat angles C4'-P-C4' energy: -12.127
flat angles P-C4'-P energy: -8.241
tors. eta vs tors. theta energy: -5.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -95.228195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.228195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.228195 (E_RNA)
where:
Base-Base interactions energy: -44.657
where: short stacking energy: -32.891
Base-Backbone interact. energy: -0.465
local terms energy: -50.105531
where:
bonds (distance) C4'-P energy: -15.214
bonds (distance) P-C4' energy: -10.258
flat angles C4'-P-C4' energy: -11.400
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -2.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -82.923720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.923720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.923720 (E_RNA)
where:
Base-Base interactions energy: -24.128
where: short stacking energy: -22.326
Base-Backbone interact. energy: -0.176
local terms energy: -58.619621
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -18.444
flat angles C4'-P-C4' energy: -16.539
flat angles P-C4'-P energy: -10.461
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: 1, replica: 1
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -229.126657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.126657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.126657 (E_RNA)
where:
Base-Base interactions energy: -147.572
where: short stacking energy: -67.877
Base-Backbone interact. energy: -0.361
local terms energy: -81.194335
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -16.915
flat angles C4'-P-C4' energy: -17.917
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -18.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -202.553691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.553691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.553691 (E_RNA)
where:
Base-Base interactions energy: -137.315
where: short stacking energy: -74.099
Base-Backbone interact. energy: -0.045
local terms energy: -65.193380
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -10.624
flat angles C4'-P-C4' energy: -14.353
flat angles P-C4'-P energy: -6.144
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: 3, replica: 6
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -203.140702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.140702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.140702 (E_RNA)
where:
Base-Base interactions energy: -131.410
where: short stacking energy: -61.301
Base-Backbone interact. energy: -0.645
local terms energy: -71.086160
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -16.017
flat angles P-C4'-P energy: -10.579
tors. eta vs tors. theta energy: -16.388
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: 4
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -174.681788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.681788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.681788 (E_RNA)
where:
Base-Base interactions energy: -99.475
where: short stacking energy: -55.816
Base-Backbone interact. energy: -0.562
local terms energy: -74.644825
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -13.348
flat angles P-C4'-P energy: -13.318
tors. eta vs tors. theta energy: -19.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -181.842612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.842612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.842612 (E_RNA)
where:
Base-Base interactions energy: -123.507
where: short stacking energy: -46.460
Base-Backbone interact. energy: -0.198
local terms energy: -58.137384
where:
bonds (distance) C4'-P energy: -8.769
bonds (distance) P-C4' energy: -14.968
flat angles C4'-P-C4' energy: -10.830
flat angles P-C4'-P energy: -11.628
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: 6, replica: 5
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -92.914242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.914242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.914242 (E_RNA)
where:
Base-Base interactions energy: -30.770
where: short stacking energy: -30.335
Base-Backbone interact. energy: -0.041
local terms energy: -62.102811
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -17.359
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -4.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -89.797660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.797660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.797660 (E_RNA)
where:
Base-Base interactions energy: -34.564
where: short stacking energy: -32.061
Base-Backbone interact. energy: -0.190
local terms energy: -55.043197
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -12.572
flat angles C4'-P-C4' energy: -16.683
flat angles P-C4'-P energy: -6.336
tors. eta vs tors. theta energy: -5.244
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: 7
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -89.217372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.217372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.217372 (E_RNA)
where:
Base-Base interactions energy: -38.427
where: short stacking energy: -37.996
Base-Backbone interact. energy: -0.048
local terms energy: -50.742410
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -7.544
flat angles C4'-P-C4' energy: -10.967
flat angles P-C4'-P energy: -6.489
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: 9, replica: 8
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -85.647989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.647989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.647989 (E_RNA)
where:
Base-Base interactions energy: -37.533
where: short stacking energy: -26.116
Base-Backbone interact. energy: 0.165
local terms energy: -48.279963
where:
bonds (distance) C4'-P energy: -8.050
bonds (distance) P-C4' energy: -12.234
flat angles C4'-P-C4' energy: -14.245
flat angles P-C4'-P energy: -6.713
tors. eta vs tors. theta energy: -7.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -75.457379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.457379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.457379 (E_RNA)
where:
Base-Base interactions energy: -35.338
where: short stacking energy: -18.990
Base-Backbone interact. energy: 0.250
local terms energy: -40.368879
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -10.522
flat angles P-C4'-P energy: -3.783
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: 1, replica: 1
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -221.319026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.319026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.319026 (E_RNA)
where:
Base-Base interactions energy: -144.963
where: short stacking energy: -70.393
Base-Backbone interact. energy: -0.266
local terms energy: -76.090994
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -17.639
flat angles C4'-P-C4' energy: -15.415
flat angles P-C4'-P energy: -13.202
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: 2, replica: 10
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -209.327992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.327992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.327992 (E_RNA)
where:
Base-Base interactions energy: -136.724
where: short stacking energy: -68.969
Base-Backbone interact. energy: -0.001
local terms energy: -72.603281
where:
bonds (distance) C4'-P energy: -15.325
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -15.279
flat angles P-C4'-P energy: -12.013
tors. eta vs tors. theta energy: -17.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -202.990594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.990594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.990594 (E_RNA)
where:
Base-Base interactions energy: -131.156
where: short stacking energy: -65.088
Base-Backbone interact. energy: -0.397
local terms energy: -71.437985
where:
bonds (distance) C4'-P energy: -16.123
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -15.055
flat angles P-C4'-P energy: -5.275
tors. eta vs tors. theta energy: -19.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -199.963933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.963933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.963933 (E_RNA)
where:
Base-Base interactions energy: -129.476
where: short stacking energy: -56.753
Base-Backbone interact. energy: -0.108
local terms energy: -70.380024
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -15.598
flat angles C4'-P-C4' energy: -17.338
flat angles P-C4'-P energy: -8.686
tors. eta vs tors. theta energy: -12.300
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: 2
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -172.542218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.542218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.542218 (E_RNA)
where:
Base-Base interactions energy: -110.027
where: short stacking energy: -53.303
Base-Backbone interact. energy: -0.003
local terms energy: -62.512001
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -9.481
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -13.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -101.775977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.775977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.775977 (E_RNA)
where:
Base-Base interactions energy: -36.971
where: short stacking energy: -33.893
Base-Backbone interact. energy: -0.171
local terms energy: -64.634063
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -17.217
flat angles P-C4'-P energy: -9.658
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: 7, replica: 7
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -93.352589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.352589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.352589 (E_RNA)
where:
Base-Base interactions energy: -35.701
where: short stacking energy: -27.054
Base-Backbone interact. energy: -0.066
local terms energy: -57.585841
where:
bonds (distance) C4'-P energy: -17.042
bonds (distance) P-C4' energy: -12.992
flat angles C4'-P-C4' energy: -11.873
flat angles P-C4'-P energy: -5.678
tors. eta vs tors. theta energy: -10.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -91.695028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.695028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.695028 (E_RNA)
where:
Base-Base interactions energy: -32.508
where: short stacking energy: -29.988
Base-Backbone interact. energy: -1.645
local terms energy: -57.541863
where:
bonds (distance) C4'-P energy: -12.111
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -12.816
flat angles P-C4'-P energy: -9.710
tors. eta vs tors. theta energy: -6.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -74.104908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.104908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.104908 (E_RNA)
where:
Base-Base interactions energy: -30.013
where: short stacking energy: -21.545
Base-Backbone interact. energy: -0.013
local terms energy: -44.079628
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -15.865
flat angles C4'-P-C4' energy: -13.267
flat angles P-C4'-P energy: -5.734
tors. eta vs tors. theta energy: 4.313
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: 8
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -84.738802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.738802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.738802 (E_RNA)
where:
Base-Base interactions energy: -30.501
where: short stacking energy: -30.501
Base-Backbone interact. energy: -0.050
local terms energy: -54.188198
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -14.034
flat angles C4'-P-C4' energy: -12.343
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -1.183
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: 1, replica: 1
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -218.020738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.020738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.020738 (E_RNA)
where:
Base-Base interactions energy: -141.895
where: short stacking energy: -70.960
Base-Backbone interact. energy: 1.785
local terms energy: -77.910775
where:
bonds (distance) C4'-P energy: -14.257
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -15.276
flat angles P-C4'-P energy: -11.299
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: 6
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -216.689560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.689560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.689560 (E_RNA)
where:
Base-Base interactions energy: -140.584
where: short stacking energy: -69.884
Base-Backbone interact. energy: -0.038
local terms energy: -76.068190
where:
bonds (distance) C4'-P energy: -10.269
bonds (distance) P-C4' energy: -16.281
flat angles C4'-P-C4' energy: -13.437
flat angles P-C4'-P energy: -14.363
tors. eta vs tors. theta energy: -21.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -199.043626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.043626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.043626 (E_RNA)
where:
Base-Base interactions energy: -130.604
where: short stacking energy: -64.013
Base-Backbone interact. energy: -0.026
local terms energy: -68.413993
where:
bonds (distance) C4'-P energy: -13.839
bonds (distance) P-C4' energy: -12.307
flat angles C4'-P-C4' energy: -14.824
flat angles P-C4'-P energy: -8.639
tors. eta vs tors. theta energy: -18.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -197.440770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.440770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.440770 (E_RNA)
where:
Base-Base interactions energy: -124.368
where: short stacking energy: -62.997
Base-Backbone interact. energy: -0.003
local terms energy: -73.069637
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -15.710
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -18.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -174.490061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.490061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.490061 (E_RNA)
where:
Base-Base interactions energy: -116.602
where: short stacking energy: -47.349
Base-Backbone interact. energy: 0.624
local terms energy: -58.511841
where:
bonds (distance) C4'-P energy: -12.212
bonds (distance) P-C4' energy: -13.709
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: -9.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -86.039278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.039278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.039278 (E_RNA)
where:
Base-Base interactions energy: -35.668
where: short stacking energy: -27.314
Base-Backbone interact. energy: -0.115
local terms energy: -50.256421
where:
bonds (distance) C4'-P energy: -11.441
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -14.042
flat angles P-C4'-P energy: -7.409
tors. eta vs tors. theta energy: -2.571
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: 7
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -91.779330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.779330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.779330 (E_RNA)
where:
Base-Base interactions energy: -32.574
where: short stacking energy: -32.565
Base-Backbone interact. energy: -0.170
local terms energy: -59.035691
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -10.258
flat angles P-C4'-P energy: -7.657
tors. eta vs tors. theta energy: -6.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -84.912020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.912020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.912020 (E_RNA)
where:
Base-Base interactions energy: -34.511
where: short stacking energy: -34.511
Base-Backbone interact. energy: -0.123
local terms energy: -50.278144
where:
bonds (distance) C4'-P energy: -6.593
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -8.818
flat angles P-C4'-P energy: -8.076
tors. eta vs tors. theta energy: -10.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -81.742548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.742548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.742548 (E_RNA)
where:
Base-Base interactions energy: -25.740
where: short stacking energy: -23.225
Base-Backbone interact. energy: -0.027
local terms energy: -55.975250
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -16.323
flat angles C4'-P-C4' energy: -10.645
flat angles P-C4'-P energy: -10.375
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: 8
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -68.316532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.316532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.316532 (E_RNA)
where:
Base-Base interactions energy: -27.759
where: short stacking energy: -15.926
Base-Backbone interact. energy: -0.072
local terms energy: -40.485785
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -10.011
flat angles C4'-P-C4' energy: -6.006
flat angles P-C4'-P energy: -7.552
tors. eta vs tors. theta energy: -3.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -216.066648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.066648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.066648 (E_RNA)
where:
Base-Base interactions energy: -135.426
where: short stacking energy: -72.533
Base-Backbone interact. energy: -0.022
local terms energy: -80.618801
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -16.254
flat angles P-C4'-P energy: -9.460
tors. eta vs tors. theta energy: -22.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -218.046165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.046165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.046165 (E_RNA)
where:
Base-Base interactions energy: -140.901
where: short stacking energy: -74.855
Base-Backbone interact. energy: -0.044
local terms energy: -77.100787
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -16.195
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -8.795
tors. eta vs tors. theta energy: -21.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -205.609919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.609919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.609919 (E_RNA)
where:
Base-Base interactions energy: -134.284
where: short stacking energy: -63.694
Base-Backbone interact. energy: -0.077
local terms energy: -71.249124
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -16.575
flat angles P-C4'-P energy: -5.366
tors. eta vs tors. theta energy: -17.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -198.880287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.880287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.880287 (E_RNA)
where:
Base-Base interactions energy: -130.194
where: short stacking energy: -60.572
Base-Backbone interact. energy: -0.022
local terms energy: -68.664549
where:
bonds (distance) C4'-P energy: -12.456
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -14.275
flat angles P-C4'-P energy: -10.200
tors. eta vs tors. theta energy: -15.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -201.751297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.751297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.751297 (E_RNA)
where:
Base-Base interactions energy: -131.084
where: short stacking energy: -62.009
Base-Backbone interact. energy: 0.636
local terms energy: -71.302903
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -15.302
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -16.326
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: 5
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -93.297656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.297656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.297656 (E_RNA)
where:
Base-Base interactions energy: -47.239
where: short stacking energy: -34.618
Base-Backbone interact. energy: -0.086
local terms energy: -45.972679
where:
bonds (distance) C4'-P energy: -14.872
bonds (distance) P-C4' energy: -15.792
flat angles C4'-P-C4' energy: -7.481
flat angles P-C4'-P energy: -6.911
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: 7, replica: 7
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -93.649873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.649873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.649873 (E_RNA)
where:
Base-Base interactions energy: -37.019
where: short stacking energy: -36.442
Base-Backbone interact. energy: -0.185
local terms energy: -56.445536
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -13.656
flat angles C4'-P-C4' energy: -10.797
flat angles P-C4'-P energy: -13.742
tors. eta vs tors. theta energy: -5.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -80.473722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.473722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.473722 (E_RNA)
where:
Base-Base interactions energy: -27.049
where: short stacking energy: -23.009
Base-Backbone interact. energy: -0.292
local terms energy: -53.132916
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -14.275
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: 0.963
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: 8
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -92.842330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.842330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.842330 (E_RNA)
where:
Base-Base interactions energy: -49.091
where: short stacking energy: -27.069
Base-Backbone interact. energy: -0.303
local terms energy: -43.448091
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -13.108
flat angles C4'-P-C4' energy: -12.947
flat angles P-C4'-P energy: -2.264
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: 10, replica: 3
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -74.101264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.101264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.101264 (E_RNA)
where:
Base-Base interactions energy: -25.883
where: short stacking energy: -24.761
Base-Backbone interact. energy: 0.363
local terms energy: -48.580486
where:
bonds (distance) C4'-P energy: -13.435
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -10.267
flat angles P-C4'-P energy: -5.476
tors. eta vs tors. theta energy: -2.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -219.192385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.192385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.192385 (E_RNA)
where:
Base-Base interactions energy: -137.251
where: short stacking energy: -69.025
Base-Backbone interact. energy: -0.631
local terms energy: -81.310616
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -9.866
flat angles C4'-P-C4' energy: -19.017
flat angles P-C4'-P energy: -14.406
tors. eta vs tors. theta energy: -20.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -223.677244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.677244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.677244 (E_RNA)
where:
Base-Base interactions energy: -145.121
where: short stacking energy: -73.923
Base-Backbone interact. energy: -0.157
local terms energy: -78.399883
where:
bonds (distance) C4'-P energy: -16.301
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -14.273
flat angles P-C4'-P energy: -12.341
tors. eta vs tors. theta energy: -19.779
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: 275
Temperature: 1.000000
Total energy: -212.645741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.645741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.645741 (E_RNA)
where:
Base-Base interactions energy: -137.037
where: short stacking energy: -66.342
Base-Backbone interact. energy: -0.303
local terms energy: -75.305835
where:
bonds (distance) C4'-P energy: -12.377
bonds (distance) P-C4' energy: -15.080
flat angles C4'-P-C4' energy: -16.825
flat angles P-C4'-P energy: -11.428
tors. eta vs tors. theta energy: -19.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -214.077465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.077465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.077465 (E_RNA)
where:
Base-Base interactions energy: -134.288
where: short stacking energy: -71.769
Base-Backbone interact. energy: -0.035
local terms energy: -79.754273
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -11.853
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: 5, replica: 2
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -192.712139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.712139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.712139 (E_RNA)
where:
Base-Base interactions energy: -126.457
where: short stacking energy: -57.890
Base-Backbone interact. energy: -0.117
local terms energy: -66.138335
where:
bonds (distance) C4'-P energy: -11.217
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -12.694
flat angles P-C4'-P energy: -9.034
tors. eta vs tors. theta energy: -15.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -88.703649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.703649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.703649 (E_RNA)
where:
Base-Base interactions energy: -39.365
where: short stacking energy: -29.020
Base-Backbone interact. energy: -0.329
local terms energy: -49.009434
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -8.901
flat angles C4'-P-C4' energy: -15.356
flat angles P-C4'-P energy: -9.496
tors. eta vs tors. theta energy: -1.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -102.120956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.120956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.120956 (E_RNA)
where:
Base-Base interactions energy: -40.609
where: short stacking energy: -39.958
Base-Backbone interact. energy: -0.089
local terms energy: -61.423151
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -13.181
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: -8.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -98.083223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.083223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.083223 (E_RNA)
where:
Base-Base interactions energy: -41.716
where: short stacking energy: -23.965
Base-Backbone interact. energy: -0.409
local terms energy: -55.958188
where:
bonds (distance) C4'-P energy: -14.511
bonds (distance) P-C4' energy: -13.424
flat angles C4'-P-C4' energy: -11.582
flat angles P-C4'-P energy: -8.101
tors. eta vs tors. theta energy: -8.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -78.601362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.601362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.601362 (E_RNA)
where:
Base-Base interactions energy: -28.249
where: short stacking energy: -27.244
Base-Backbone interact. energy: -0.159
local terms energy: -50.193236
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -13.051
flat angles C4'-P-C4' energy: -10.662
flat angles P-C4'-P energy: -12.365
tors. eta vs tors. theta energy: -2.132
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: 3
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -77.453405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.453405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.453405 (E_RNA)
where:
Base-Base interactions energy: -33.975
where: short stacking energy: -26.019
Base-Backbone interact. energy: -0.147
local terms energy: -43.331083
where:
bonds (distance) C4'-P energy: -9.404
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -12.269
flat angles P-C4'-P energy: -6.625
tors. eta vs tors. theta energy: 0.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -220.887203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.887203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.887203 (E_RNA)
where:
Base-Base interactions energy: -141.299
where: short stacking energy: -73.105
Base-Backbone interact. energy: -0.002
local terms energy: -79.586020
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -16.587
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: -21.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -213.291428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.291428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.291428 (E_RNA)
where:
Base-Base interactions energy: -137.657
where: short stacking energy: -67.589
Base-Backbone interact. energy: -0.043
local terms energy: -75.591413
where:
bonds (distance) C4'-P energy: -17.647
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -15.791
flat angles P-C4'-P energy: -8.768
tors. eta vs tors. theta energy: -17.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -212.133645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.133645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.133645 (E_RNA)
where:
Base-Base interactions energy: -139.534
where: short stacking energy: -72.521
Base-Backbone interact. energy: -0.070
local terms energy: -72.529493
where:
bonds (distance) C4'-P energy: -10.563
bonds (distance) P-C4' energy: -16.359
flat angles C4'-P-C4' energy: -14.927
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: -19.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -186.102107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.102107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.102107 (E_RNA)
where:
Base-Base interactions energy: -123.515
where: short stacking energy: -55.053
Base-Backbone interact. energy: -0.225
local terms energy: -62.362288
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -16.757
flat angles P-C4'-P energy: -7.020
tors. eta vs tors. theta energy: -11.594
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: 2
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -187.599437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.599437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.599437 (E_RNA)
where:
Base-Base interactions energy: -120.343
where: short stacking energy: -50.944
Base-Backbone interact. energy: -0.879
local terms energy: -66.377555
where:
bonds (distance) C4'-P energy: -14.128
bonds (distance) P-C4' energy: -13.904
flat angles C4'-P-C4' energy: -14.246
flat angles P-C4'-P energy: -9.247
tors. eta vs tors. theta energy: -14.853
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: 5
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -97.705039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.705039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.705039 (E_RNA)
where:
Base-Base interactions energy: -39.554
where: short stacking energy: -38.175
Base-Backbone interact. energy: -0.132
local terms energy: -58.018950
where:
bonds (distance) C4'-P energy: -8.143
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -11.467
flat angles P-C4'-P energy: -10.805
tors. eta vs tors. theta energy: -11.702
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: 8
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -86.849479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.849479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.849479 (E_RNA)
where:
Base-Base interactions energy: -25.079
where: short stacking energy: -25.079
Base-Backbone interact. energy: -0.013
local terms energy: -61.757840
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -17.574
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -11.599
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: 8, replica: 7
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -97.646696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.646696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.646696 (E_RNA)
where:
Base-Base interactions energy: -44.845
where: short stacking energy: -30.276
Base-Backbone interact. energy: -0.457
local terms energy: -52.345328
where:
bonds (distance) C4'-P energy: -12.261
bonds (distance) P-C4' energy: -14.743
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -10.432
tors. eta vs tors. theta energy: -0.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -83.628634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.628634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.628634 (E_RNA)
where:
Base-Base interactions energy: -31.592
where: short stacking energy: -28.684
Base-Backbone interact. energy: -0.014
local terms energy: -52.022778
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -12.515
flat angles P-C4'-P energy: -7.449
tors. eta vs tors. theta energy: -4.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -82.921988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.921988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.921988 (E_RNA)
where:
Base-Base interactions energy: -32.726
where: short stacking energy: -32.726
Base-Backbone interact. energy: -0.051
local terms energy: -50.144238
where:
bonds (distance) C4'-P energy: -12.772
bonds (distance) P-C4' energy: -12.271
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -5.697
tors. eta vs tors. theta energy: -4.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -216.712417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.712417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.712417 (E_RNA)
where:
Base-Base interactions energy: -147.060
where: short stacking energy: -61.501
Base-Backbone interact. energy: 0.562
local terms energy: -70.213611
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -15.462
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: -12.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -218.232396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.232396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.232396 (E_RNA)
where:
Base-Base interactions energy: -139.178
where: short stacking energy: -78.107
Base-Backbone interact. energy: -0.043
local terms energy: -79.011066
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -13.711
flat angles C4'-P-C4' energy: -16.730
flat angles P-C4'-P energy: -12.891
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: 3, replica: 1
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -201.721565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.721565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.721565 (E_RNA)
where:
Base-Base interactions energy: -132.115
where: short stacking energy: -62.885
Base-Backbone interact. energy: -0.105
local terms energy: -69.501678
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -11.960
tors. eta vs tors. theta energy: -15.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -203.682260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.682260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.682260 (E_RNA)
where:
Base-Base interactions energy: -132.824
where: short stacking energy: -67.508
Base-Backbone interact. energy: -0.024
local terms energy: -70.834463
where:
bonds (distance) C4'-P energy: -11.502
bonds (distance) P-C4' energy: -12.511
flat angles C4'-P-C4' energy: -17.708
flat angles P-C4'-P energy: -8.125
tors. eta vs tors. theta energy: -20.988
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: 10
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -189.382418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.382418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.382418 (E_RNA)
where:
Base-Base interactions energy: -123.072
where: short stacking energy: -64.063
Base-Backbone interact. energy: -0.159
local terms energy: -66.151499
where:
bonds (distance) C4'-P energy: -16.245
bonds (distance) P-C4' energy: -10.617
flat angles C4'-P-C4' energy: -14.196
flat angles P-C4'-P energy: -10.992
tors. eta vs tors. theta energy: -14.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -123.744961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.744961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.744961 (E_RNA)
where:
Base-Base interactions energy: -69.395
where: short stacking energy: -18.743
Base-Backbone interact. energy: -0.771
local terms energy: -53.579008
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -13.100
flat angles P-C4'-P energy: -5.321
tors. eta vs tors. theta energy: -4.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -102.795872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.795872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.795872 (E_RNA)
where:
Base-Base interactions energy: -48.571
where: short stacking energy: -31.766
Base-Backbone interact. energy: -0.112
local terms energy: -54.113257
where:
bonds (distance) C4'-P energy: -10.796
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -14.594
flat angles P-C4'-P energy: -6.984
tors. eta vs tors. theta energy: -3.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -84.399931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.399931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.399931 (E_RNA)
where:
Base-Base interactions energy: -36.244
where: short stacking energy: -25.677
Base-Backbone interact. energy: -0.310
local terms energy: -47.846217
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -11.275
flat angles P-C4'-P energy: -8.257
tors. eta vs tors. theta energy: -0.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -84.445162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.445162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.445162 (E_RNA)
where:
Base-Base interactions energy: -33.062
where: short stacking energy: -33.062
Base-Backbone interact. energy: -0.002
local terms energy: -51.381334
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -11.759
flat angles C4'-P-C4' energy: -13.616
flat angles P-C4'-P energy: -9.829
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: 10, replica: 9
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -79.355109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.355109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.355109 (E_RNA)
where:
Base-Base interactions energy: -26.492
where: short stacking energy: -18.574
Base-Backbone interact. energy: -0.309
local terms energy: -52.553355
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -16.123
flat angles C4'-P-C4' energy: -15.783
flat angles P-C4'-P energy: -7.565
tors. eta vs tors. theta energy: -0.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -211.799644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.799644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.799644 (E_RNA)
where:
Base-Base interactions energy: -136.249
where: short stacking energy: -69.161
Base-Backbone interact. energy: -0.000
local terms energy: -75.550158
where:
bonds (distance) C4'-P energy: -14.266
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -16.519
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: -21.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -209.492495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.492495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.492495 (E_RNA)
where:
Base-Base interactions energy: -140.814
where: short stacking energy: -66.669
Base-Backbone interact. energy: -0.630
local terms energy: -68.048247
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -14.056
flat angles C4'-P-C4' energy: -15.454
flat angles P-C4'-P energy: -11.582
tors. eta vs tors. theta energy: -14.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -214.598190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.598190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.598190 (E_RNA)
where:
Base-Base interactions energy: -139.351
where: short stacking energy: -71.845
Base-Backbone interact. energy: -0.011
local terms energy: -75.235789
where:
bonds (distance) C4'-P energy: -12.687
bonds (distance) P-C4' energy: -14.475
flat angles C4'-P-C4' energy: -17.074
flat angles P-C4'-P energy: -10.248
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: 4, replica: 1
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -172.912756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.912756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.912756 (E_RNA)
where:
Base-Base interactions energy: -105.296
where: short stacking energy: -48.569
Base-Backbone interact. energy: -0.818
local terms energy: -66.798160
where:
bonds (distance) C4'-P energy: -16.075
bonds (distance) P-C4' energy: -14.050
flat angles C4'-P-C4' energy: -16.774
flat angles P-C4'-P energy: -7.756
tors. eta vs tors. theta energy: -12.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -184.029329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.029329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.029329 (E_RNA)
where:
Base-Base interactions energy: -123.266
where: short stacking energy: -63.961
Base-Backbone interact. energy: -0.047
local terms energy: -60.716487
where:
bonds (distance) C4'-P energy: -9.847
bonds (distance) P-C4' energy: -12.331
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -14.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -138.552185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.552185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.552185 (E_RNA)
where:
Base-Base interactions energy: -77.310
where: short stacking energy: -44.239
Base-Backbone interact. energy: -0.198
local terms energy: -61.044369
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -11.658
flat angles P-C4'-P energy: -12.364
tors. eta vs tors. theta energy: -9.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -92.001150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.001150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.001150 (E_RNA)
where:
Base-Base interactions energy: -42.938
where: short stacking energy: -42.938
Base-Backbone interact. energy: -0.092
local terms energy: -48.971496
where:
bonds (distance) C4'-P energy: -11.498
bonds (distance) P-C4' energy: -9.795
flat angles C4'-P-C4' energy: -11.507
flat angles P-C4'-P energy: -9.150
tors. eta vs tors. theta energy: -7.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -102.497025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.497025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.497025 (E_RNA)
where:
Base-Base interactions energy: -42.080
where: short stacking energy: -34.604
Base-Backbone interact. energy: -0.061
local terms energy: -60.356091
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -12.545
flat angles P-C4'-P energy: -12.679
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: 9, replica: 9
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -91.103234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.103234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.103234 (E_RNA)
where:
Base-Base interactions energy: -42.304
where: short stacking energy: -31.107
Base-Backbone interact. energy: -0.080
local terms energy: -48.719011
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -8.722
flat angles C4'-P-C4' energy: -11.434
flat angles P-C4'-P energy: -9.565
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: 278
Temperature: 1.350000
Total energy: -72.726780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.726780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.726780 (E_RNA)
where:
Base-Base interactions energy: -19.418
where: short stacking energy: -18.191
Base-Backbone interact. energy: 0.698
local terms energy: -54.006598
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -12.400
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: 0.897
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: 4
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -219.374304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.374304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.374304 (E_RNA)
where:
Base-Base interactions energy: -140.435
where: short stacking energy: -70.370
Base-Backbone interact. energy: -0.850
local terms energy: -78.089936
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -10.314
flat angles C4'-P-C4' energy: -15.310
flat angles P-C4'-P energy: -14.321
tors. eta vs tors. theta energy: -23.124
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: 2
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -210.535864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.535864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.535864 (E_RNA)
where:
Base-Base interactions energy: -135.580
where: short stacking energy: -68.716
Base-Backbone interact. energy: -0.017
local terms energy: -74.939611
where:
bonds (distance) C4'-P energy: -10.559
bonds (distance) P-C4' energy: -13.125
flat angles C4'-P-C4' energy: -14.601
flat angles P-C4'-P energy: -13.415
tors. eta vs tors. theta energy: -23.239
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: 6
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -212.514939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.514939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.514939 (E_RNA)
where:
Base-Base interactions energy: -135.808
where: short stacking energy: -70.764
Base-Backbone interact. energy: 0.024
local terms energy: -76.730894
where:
bonds (distance) C4'-P energy: -13.526
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -9.551
tors. eta vs tors. theta energy: -22.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -193.085660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.085660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.085660 (E_RNA)
where:
Base-Base interactions energy: -125.323
where: short stacking energy: -56.316
Base-Backbone interact. energy: -0.724
local terms energy: -67.038550
where:
bonds (distance) C4'-P energy: -12.358
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -7.419
tors. eta vs tors. theta energy: -15.705
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: 1
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -132.554332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.554332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.554332 (E_RNA)
where:
Base-Base interactions energy: -68.466
where: short stacking energy: -35.233
Base-Backbone interact. energy: -0.298
local terms energy: -63.789543
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -16.998
flat angles P-C4'-P energy: -11.383
tors. eta vs tors. theta energy: -3.051
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: 8
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -155.557570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.557570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.557570 (E_RNA)
where:
Base-Base interactions energy: -96.274
where: short stacking energy: -42.292
Base-Backbone interact. energy: -0.434
local terms energy: -58.849362
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -10.262
flat angles C4'-P-C4' energy: -9.910
flat angles P-C4'-P energy: -11.417
tors. eta vs tors. theta energy: -12.703
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: 7
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -95.904777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.904777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.904777 (E_RNA)
where:
Base-Base interactions energy: -37.772
where: short stacking energy: -37.772
Base-Backbone interact. energy: -0.080
local terms energy: -58.053330
where:
bonds (distance) C4'-P energy: -13.342
bonds (distance) P-C4' energy: -11.548
flat angles C4'-P-C4' energy: -13.604
flat angles P-C4'-P energy: -10.050
tors. eta vs tors. theta energy: -9.510
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: 8, replica: 5
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -82.929938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.929938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.929938 (E_RNA)
where:
Base-Base interactions energy: -35.638
where: short stacking energy: -35.638
Base-Backbone interact. energy: -0.220
local terms energy: -47.071838
where:
bonds (distance) C4'-P energy: -8.621
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -11.387
flat angles P-C4'-P energy: -5.862
tors. eta vs tors. theta energy: -6.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -89.299966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.299966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.299966 (E_RNA)
where:
Base-Base interactions energy: -44.145
where: short stacking energy: -28.533
Base-Backbone interact. energy: -0.274
local terms energy: -44.880726
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -12.132
flat angles C4'-P-C4' energy: -9.849
flat angles P-C4'-P energy: -5.660
tors. eta vs tors. theta energy: -0.819
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: 3
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -87.917240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.917240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.917240 (E_RNA)
where:
Base-Base interactions energy: -42.862
where: short stacking energy: -15.615
Base-Backbone interact. energy: -0.117
local terms energy: -44.937874
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -13.766
flat angles P-C4'-P energy: -5.687
tors. eta vs tors. theta energy: 1.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -227.671830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.671830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.671830 (E_RNA)
where:
Base-Base interactions energy: -146.194
where: short stacking energy: -78.196
Base-Backbone interact. energy: -0.097
local terms energy: -81.381204
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -15.978
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -10.313
tors. eta vs tors. theta energy: -20.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -219.680935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.680935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.680935 (E_RNA)
where:
Base-Base interactions energy: -138.459
where: short stacking energy: -70.688
Base-Backbone interact. energy: -0.034
local terms energy: -81.188029
where:
bonds (distance) C4'-P energy: -14.208
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -16.298
flat angles P-C4'-P energy: -12.636
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: 3, replica: 10
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -208.656206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.656206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.656206 (E_RNA)
where:
Base-Base interactions energy: -134.018
where: short stacking energy: -67.331
Base-Backbone interact. energy: -0.538
local terms energy: -74.100399
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -14.516
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -12.877
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: 4, replica: 6
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -220.607187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.607187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.607187 (E_RNA)
where:
Base-Base interactions energy: -136.782
where: short stacking energy: -69.875
Base-Backbone interact. energy: -0.057
local terms energy: -83.768990
where:
bonds (distance) C4'-P energy: -16.590
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: -22.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -161.732605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.732605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.732605 (E_RNA)
where:
Base-Base interactions energy: -94.215
where: short stacking energy: -54.959
Base-Backbone interact. energy: 0.800
local terms energy: -68.317890
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -15.758
flat angles C4'-P-C4' energy: -17.305
flat angles P-C4'-P energy: -8.299
tors. eta vs tors. theta energy: -13.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -134.237525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.237525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.237525 (E_RNA)
where:
Base-Base interactions energy: -78.530
where: short stacking energy: -39.210
Base-Backbone interact. energy: -1.216
local terms energy: -54.491651
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -13.600
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -8.442
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: 7, replica: 7
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -94.705066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.705066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.705066 (E_RNA)
where:
Base-Base interactions energy: -37.319
where: short stacking energy: -37.319
Base-Backbone interact. energy: -0.032
local terms energy: -57.353885
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -9.079
flat angles P-C4'-P energy: -10.123
tors. eta vs tors. theta energy: -11.215
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: 5
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -82.025676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.025676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.025676 (E_RNA)
where:
Base-Base interactions energy: -30.783
where: short stacking energy: -26.089
Base-Backbone interact. energy: -0.171
local terms energy: -51.071504
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -9.571
flat angles C4'-P-C4' energy: -10.988
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -7.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -77.940794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.940794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.940794 (E_RNA)
where:
Base-Base interactions energy: -30.461
where: short stacking energy: -29.753
Base-Backbone interact. energy: -0.171
local terms energy: -47.309173
where:
bonds (distance) C4'-P energy: -9.801
bonds (distance) P-C4' energy: -10.800
flat angles C4'-P-C4' energy: -16.640
flat angles P-C4'-P energy: -6.388
tors. eta vs tors. theta energy: -3.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -82.031194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.031194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.031194 (E_RNA)
where:
Base-Base interactions energy: -32.621
where: short stacking energy: -20.458
Base-Backbone interact. energy: 0.548
local terms energy: -49.958861
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -9.103
flat angles P-C4'-P energy: -8.864
tors. eta vs tors. theta energy: -2.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -217.475379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.475379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.475379 (E_RNA)
where:
Base-Base interactions energy: -142.746
where: short stacking energy: -72.008
Base-Backbone interact. energy: -0.291
local terms energy: -74.437995
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -12.295
flat angles C4'-P-C4' energy: -17.945
flat angles P-C4'-P energy: -11.679
tors. eta vs tors. theta energy: -19.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -214.129856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.129856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.129856 (E_RNA)
where:
Base-Base interactions energy: -129.794
where: short stacking energy: -72.416
Base-Backbone interact. energy: -0.022
local terms energy: -84.314685
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -17.927
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: -23.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -218.824766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.824766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.824766 (E_RNA)
where:
Base-Base interactions energy: -143.003
where: short stacking energy: -72.608
Base-Backbone interact. energy: -1.351
local terms energy: -74.471145
where:
bonds (distance) C4'-P energy: -12.932
bonds (distance) P-C4' energy: -14.595
flat angles C4'-P-C4' energy: -17.051
flat angles P-C4'-P energy: -12.389
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: 4, replica: 6
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -190.666574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.666574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.666574 (E_RNA)
where:
Base-Base interactions energy: -132.702
where: short stacking energy: -66.154
Base-Backbone interact. energy: -0.064
local terms energy: -57.900213
where:
bonds (distance) C4'-P energy: -5.852
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -9.169
flat angles P-C4'-P energy: -9.635
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: 5, replica: 8
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -150.994166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.994166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.994166 (E_RNA)
where:
Base-Base interactions energy: -85.984
where: short stacking energy: -46.560
Base-Backbone interact. energy: -0.061
local terms energy: -64.948920
where:
bonds (distance) C4'-P energy: -9.756
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -15.076
flat angles P-C4'-P energy: -10.919
tors. eta vs tors. theta energy: -11.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -94.047720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.047720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.047720 (E_RNA)
where:
Base-Base interactions energy: -38.897
where: short stacking energy: -38.474
Base-Backbone interact. energy: -0.045
local terms energy: -55.105774
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -13.026
flat angles P-C4'-P energy: -4.874
tors. eta vs tors. theta energy: -6.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -131.374930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.374930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.374930 (E_RNA)
where:
Base-Base interactions energy: -75.461
where: short stacking energy: -34.837
Base-Backbone interact. energy: -0.198
local terms energy: -55.715908
where:
bonds (distance) C4'-P energy: -10.140
bonds (distance) P-C4' energy: -14.661
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -7.241
tors. eta vs tors. theta energy: -9.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -92.945500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.945500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.945500 (E_RNA)
where:
Base-Base interactions energy: -45.070
where: short stacking energy: -27.293
Base-Backbone interact. energy: -1.768
local terms energy: -46.107122
where:
bonds (distance) C4'-P energy: -11.866
bonds (distance) P-C4' energy: -14.428
flat angles C4'-P-C4' energy: -11.698
flat angles P-C4'-P energy: -7.380
tors. eta vs tors. theta energy: -0.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -82.430825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.430825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.430825 (E_RNA)
where:
Base-Base interactions energy: -41.970
where: short stacking energy: -31.928
Base-Backbone interact. energy: -0.400
local terms energy: -40.060542
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -10.868
flat angles C4'-P-C4' energy: -9.699
flat angles P-C4'-P energy: -2.686
tors. eta vs tors. theta energy: -4.072
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: 3
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -84.434437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.434437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.434437 (E_RNA)
where:
Base-Base interactions energy: -29.874
where: short stacking energy: -29.716
Base-Backbone interact. energy: -0.024
local terms energy: -54.536255
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -10.649
flat angles C4'-P-C4' energy: -13.473
flat angles P-C4'-P energy: -9.915
tors. eta vs tors. theta energy: -6.093
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: 1, replica: 2
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -230.148515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.148515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.148515 (E_RNA)
where:
Base-Base interactions energy: -146.548
where: short stacking energy: -79.840
Base-Backbone interact. energy: -0.007
local terms energy: -83.593742
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -17.598
flat angles P-C4'-P energy: -12.773
tors. eta vs tors. theta energy: -21.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -212.317357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.317357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.317357 (E_RNA)
where:
Base-Base interactions energy: -134.921
where: short stacking energy: -65.620
Base-Backbone interact. energy: -0.040
local terms energy: -77.356187
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: -11.854
tors. eta vs tors. theta energy: -20.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -211.320841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.320841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.320841 (E_RNA)
where:
Base-Base interactions energy: -133.375
where: short stacking energy: -66.684
Base-Backbone interact. energy: -0.003
local terms energy: -77.942836
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -16.240
flat angles C4'-P-C4' energy: -16.036
flat angles P-C4'-P energy: -12.961
tors. eta vs tors. theta energy: -18.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -216.151834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.151834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.151834 (E_RNA)
where:
Base-Base interactions energy: -139.028
where: short stacking energy: -72.761
Base-Backbone interact. energy: -0.296
local terms energy: -76.827623
where:
bonds (distance) C4'-P energy: -13.017
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -9.500
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: 5, replica: 8
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -160.755544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.755544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.755544 (E_RNA)
where:
Base-Base interactions energy: -104.400
where: short stacking energy: -52.224
Base-Backbone interact. energy: -1.285
local terms energy: -55.071126
where:
bonds (distance) C4'-P energy: -11.304
bonds (distance) P-C4' energy: -13.578
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -7.126
tors. eta vs tors. theta energy: -9.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -89.525075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.525075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.525075 (E_RNA)
where:
Base-Base interactions energy: -33.309
where: short stacking energy: -33.309
Base-Backbone interact. energy: -0.219
local terms energy: -55.996486
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -10.399
tors. eta vs tors. theta energy: -4.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -118.918052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.918052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.918052 (E_RNA)
where:
Base-Base interactions energy: -72.453
where: short stacking energy: -31.069
Base-Backbone interact. energy: 2.421
local terms energy: -48.885672
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -13.541
flat angles C4'-P-C4' energy: -12.981
flat angles P-C4'-P energy: -7.583
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: 8, replica: 9
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -88.389043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.389043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.389043 (E_RNA)
where:
Base-Base interactions energy: -36.358
where: short stacking energy: -28.764
Base-Backbone interact. energy: -0.340
local terms energy: -51.690600
where:
bonds (distance) C4'-P energy: -11.295
bonds (distance) P-C4' energy: -15.490
flat angles C4'-P-C4' energy: -12.707
flat angles P-C4'-P energy: -10.143
tors. eta vs tors. theta energy: -2.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -91.277915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.277915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.277915 (E_RNA)
where:
Base-Base interactions energy: -49.400
where: short stacking energy: -29.058
Base-Backbone interact. energy: -0.186
local terms energy: -41.691519
where:
bonds (distance) C4'-P energy: -8.965
bonds (distance) P-C4' energy: -10.303
flat angles C4'-P-C4' energy: -12.189
flat angles P-C4'-P energy: -5.262
tors. eta vs tors. theta energy: -4.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -71.365564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.365564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.365564 (E_RNA)
where:
Base-Base interactions energy: -33.396
where: short stacking energy: -18.349
Base-Backbone interact. energy: -0.261
local terms energy: -37.708564
where:
bonds (distance) C4'-P energy: -10.381
bonds (distance) P-C4' energy: -9.083
flat angles C4'-P-C4' energy: -15.067
flat angles P-C4'-P energy: -6.388
tors. eta vs tors. theta energy: 3.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -222.106552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.106552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.106552 (E_RNA)
where:
Base-Base interactions energy: -141.382
where: short stacking energy: -72.956
Base-Backbone interact. energy: -0.006
local terms energy: -80.719406
where:
bonds (distance) C4'-P energy: -14.961
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -22.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -218.364299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.364299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.364299 (E_RNA)
where:
Base-Base interactions energy: -140.736
where: short stacking energy: -66.314
Base-Backbone interact. energy: -0.233
local terms energy: -77.395049
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -16.998
flat angles P-C4'-P energy: -14.426
tors. eta vs tors. theta energy: -16.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -213.149922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.149922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.149922 (E_RNA)
where:
Base-Base interactions energy: -137.314
where: short stacking energy: -70.920
Base-Backbone interact. energy: 1.188
local terms energy: -77.023521
where:
bonds (distance) C4'-P energy: -12.611
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -11.619
tors. eta vs tors. theta energy: -22.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -176.464808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.464808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.464808 (E_RNA)
where:
Base-Base interactions energy: -109.790
where: short stacking energy: -50.745
Base-Backbone interact. energy: -1.119
local terms energy: -65.556021
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -12.552
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -8.614
tors. eta vs tors. theta energy: -11.007
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: 6
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -205.105285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.105285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.105285 (E_RNA)
where:
Base-Base interactions energy: -129.205
where: short stacking energy: -61.561
Base-Backbone interact. energy: -0.414
local terms energy: -75.486661
where:
bonds (distance) C4'-P energy: -12.275
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -15.485
flat angles P-C4'-P energy: -11.082
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: 6, replica: 7
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -91.228134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.228134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.228134 (E_RNA)
where:
Base-Base interactions energy: -40.259
where: short stacking energy: -19.959
Base-Backbone interact. energy: -0.067
local terms energy: -50.902268
where:
bonds (distance) C4'-P energy: -15.694
bonds (distance) P-C4' energy: -15.123
flat angles C4'-P-C4' energy: -11.756
flat angles P-C4'-P energy: -6.840
tors. eta vs tors. theta energy: -1.490
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: 1
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -94.461348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.461348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.461348 (E_RNA)
where:
Base-Base interactions energy: -43.750
where: short stacking energy: -32.494
Base-Backbone interact. energy: -0.241
local terms energy: -50.470134
where:
bonds (distance) C4'-P energy: -11.175
bonds (distance) P-C4' energy: -15.826
flat angles C4'-P-C4' energy: -11.593
flat angles P-C4'-P energy: -10.302
tors. eta vs tors. theta energy: -1.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -94.943286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.943286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.943286 (E_RNA)
where:
Base-Base interactions energy: -41.544
where: short stacking energy: -26.302
Base-Backbone interact. energy: -0.135
local terms energy: -53.264213
where:
bonds (distance) C4'-P energy: -10.742
bonds (distance) P-C4' energy: -17.239
flat angles C4'-P-C4' energy: -11.742
flat angles P-C4'-P energy: -7.060
tors. eta vs tors. theta energy: -6.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -82.204631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.204631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.204631 (E_RNA)
where:
Base-Base interactions energy: -35.666
where: short stacking energy: -32.423
Base-Backbone interact. energy: -0.102
local terms energy: -46.437269
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -5.602
flat angles P-C4'-P energy: -6.132
tors. eta vs tors. theta energy: -7.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -82.729791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.729791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.729791 (E_RNA)
where:
Base-Base interactions energy: -34.335
where: short stacking energy: -23.895
Base-Backbone interact. energy: -1.044
local terms energy: -47.351305
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -12.282
flat angles C4'-P-C4' energy: -6.256
flat angles P-C4'-P energy: -10.496
tors. eta vs tors. theta energy: -1.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -220.412653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.412653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.412653 (E_RNA)
where:
Base-Base interactions energy: -141.548
where: short stacking energy: -69.257
Base-Backbone interact. energy: -0.725
local terms energy: -78.139609
where:
bonds (distance) C4'-P energy: -13.807
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -11.624
tors. eta vs tors. theta energy: -21.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -224.907299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.907299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.907299 (E_RNA)
where:
Base-Base interactions energy: -148.728
where: short stacking energy: -74.507
Base-Backbone interact. energy: -0.009
local terms energy: -76.169455
where:
bonds (distance) C4'-P energy: -16.194
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -17.878
flat angles P-C4'-P energy: -12.492
tors. eta vs tors. theta energy: -12.990
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: 4
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -207.446630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.446630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.446630 (E_RNA)
where:
Base-Base interactions energy: -130.002
where: short stacking energy: -66.628
Base-Backbone interact. energy: -0.097
local terms energy: -77.348096
where:
bonds (distance) C4'-P energy: -10.803
bonds (distance) P-C4' energy: -17.153
flat angles C4'-P-C4' energy: -15.015
flat angles P-C4'-P energy: -14.079
tors. eta vs tors. theta energy: -20.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -160.527153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.527153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.527153 (E_RNA)
where:
Base-Base interactions energy: -97.091
where: short stacking energy: -52.992
Base-Backbone interact. energy: -0.638
local terms energy: -62.798299
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -12.173
flat angles P-C4'-P energy: -10.308
tors. eta vs tors. theta energy: -10.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -194.378782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.378782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.378782 (E_RNA)
where:
Base-Base interactions energy: -122.034
where: short stacking energy: -62.190
Base-Backbone interact. energy: -0.035
local terms energy: -72.310310
where:
bonds (distance) C4'-P energy: -10.582
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -13.016
tors. eta vs tors. theta energy: -17.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -106.469908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.469908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.469908 (E_RNA)
where:
Base-Base interactions energy: -45.987
where: short stacking energy: -45.987
Base-Backbone interact. energy: -0.174
local terms energy: -60.308911
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -11.582
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -8.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -92.896592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.896592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.896592 (E_RNA)
where:
Base-Base interactions energy: -38.500
where: short stacking energy: -22.714
Base-Backbone interact. energy: -0.318
local terms energy: -54.078494
where:
bonds (distance) C4'-P energy: -8.787
bonds (distance) P-C4' energy: -15.235
flat angles C4'-P-C4' energy: -12.858
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: -6.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -87.649507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.649507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.649507 (E_RNA)
where:
Base-Base interactions energy: -34.608
where: short stacking energy: -21.999
Base-Backbone interact. energy: -0.133
local terms energy: -52.908962
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -9.945
flat angles C4'-P-C4' energy: -14.148
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: -4.031
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: 9, replica: 5
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -74.372591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.372591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.372591 (E_RNA)
where:
Base-Base interactions energy: -27.218
where: short stacking energy: -27.218
Base-Backbone interact. energy: -0.139
local terms energy: -47.015626
where:
bonds (distance) C4'-P energy: -9.912
bonds (distance) P-C4' energy: -13.578
flat angles C4'-P-C4' energy: -11.749
flat angles P-C4'-P energy: -11.192
tors. eta vs tors. theta energy: -0.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -75.942385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.942385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.942385 (E_RNA)
where:
Base-Base interactions energy: -37.959
where: short stacking energy: -32.902
Base-Backbone interact. energy: -0.186
local terms energy: -37.797160
where:
bonds (distance) C4'-P energy: -9.346
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -10.220
flat angles P-C4'-P energy: -4.082
tors. eta vs tors. theta energy: 0.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -221.763642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.763642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.763642 (E_RNA)
where:
Base-Base interactions energy: -141.332
where: short stacking energy: -69.201
Base-Backbone interact. energy: 0.010
local terms energy: -80.442188
where:
bonds (distance) C4'-P energy: -14.712
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -16.856
flat angles P-C4'-P energy: -12.529
tors. eta vs tors. theta energy: -19.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -208.618715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.618715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.618715 (E_RNA)
where:
Base-Base interactions energy: -129.881
where: short stacking energy: -66.820
Base-Backbone interact. energy: -0.004
local terms energy: -78.734331
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -8.973
tors. eta vs tors. theta energy: -21.120
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: 10
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -215.285122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.285122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.285122 (E_RNA)
where:
Base-Base interactions energy: -143.060
where: short stacking energy: -67.604
Base-Backbone interact. energy: -0.067
local terms energy: -72.158012
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -14.580
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -8.586
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: 6
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -197.124973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.124973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.124973 (E_RNA)
where:
Base-Base interactions energy: -131.499
where: short stacking energy: -63.319
Base-Backbone interact. energy: -0.008
local terms energy: -65.618052
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -11.334
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -15.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -149.148512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.148512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.148512 (E_RNA)
where:
Base-Base interactions energy: -91.133
where: short stacking energy: -56.181
Base-Backbone interact. energy: -0.010
local terms energy: -58.005318
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -9.863
flat angles C4'-P-C4' energy: -13.151
flat angles P-C4'-P energy: -8.232
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: 6, replica: 3
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -112.944254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.944254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.944254 (E_RNA)
where:
Base-Base interactions energy: -55.212
where: short stacking energy: -47.075
Base-Backbone interact. energy: -0.026
local terms energy: -57.706539
where:
bonds (distance) C4'-P energy: -9.348
bonds (distance) P-C4' energy: -12.228
flat angles C4'-P-C4' energy: -15.399
flat angles P-C4'-P energy: -11.730
tors. eta vs tors. theta energy: -9.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -102.307015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.307015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.307015 (E_RNA)
where:
Base-Base interactions energy: -46.294
where: short stacking energy: -46.294
Base-Backbone interact. energy: -0.067
local terms energy: -55.945743
where:
bonds (distance) C4'-P energy: -5.666
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -14.762
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: -11.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -96.616432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.616432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.616432 (E_RNA)
where:
Base-Base interactions energy: -45.430
where: short stacking energy: -23.491
Base-Backbone interact. energy: -0.080
local terms energy: -51.106701
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -14.919
flat angles C4'-P-C4' energy: -13.952
flat angles P-C4'-P energy: -7.800
tors. eta vs tors. theta energy: -1.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -81.327889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.327889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.327889 (E_RNA)
where:
Base-Base interactions energy: -28.563
where: short stacking energy: -24.527
Base-Backbone interact. energy: -0.344
local terms energy: -52.421828
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -11.296
flat angles C4'-P-C4' energy: -12.720
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -1.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -83.145958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.145958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.145958 (E_RNA)
where:
Base-Base interactions energy: -37.952
where: short stacking energy: -31.811
Base-Backbone interact. energy: -0.126
local terms energy: -45.068194
where:
bonds (distance) C4'-P energy: -7.955
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -9.407
flat angles P-C4'-P energy: -8.876
tors. eta vs tors. theta energy: -1.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -216.132034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.132034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.132034 (E_RNA)
where:
Base-Base interactions energy: -139.254
where: short stacking energy: -67.484
Base-Backbone interact. energy: -0.495
local terms energy: -76.383724
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -13.392
flat angles C4'-P-C4' energy: -18.144
flat angles P-C4'-P energy: -11.103
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: 2, replica: 4
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -199.987666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.987666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.987666 (E_RNA)
where:
Base-Base interactions energy: -125.302
where: short stacking energy: -60.405
Base-Backbone interact. energy: -0.188
local terms energy: -74.498253
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -15.980
flat angles P-C4'-P energy: -9.663
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: 3, replica: 10
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -213.468069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.468069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.468069 (E_RNA)
where:
Base-Base interactions energy: -140.371
where: short stacking energy: -73.294
Base-Backbone interact. energy: -0.001
local terms energy: -73.095551
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -16.713
flat angles P-C4'-P energy: -8.646
tors. eta vs tors. theta energy: -19.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -203.407467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.407467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.407467 (E_RNA)
where:
Base-Base interactions energy: -126.386
where: short stacking energy: -67.785
Base-Backbone interact. energy: -0.089
local terms energy: -76.932396
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -6.689
tors. eta vs tors. theta energy: -22.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -153.048613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.048613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.048613 (E_RNA)
where:
Base-Base interactions energy: -95.760
where: short stacking energy: -43.216
Base-Backbone interact. energy: -0.124
local terms energy: -57.164932
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -12.503
flat angles C4'-P-C4' energy: -13.153
flat angles P-C4'-P energy: -9.524
tors. eta vs tors. theta energy: -6.897
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: 286
Temperature: 1.150000
Total energy: -96.542485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.542485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.542485 (E_RNA)
where:
Base-Base interactions energy: -44.024
where: short stacking energy: -27.733
Base-Backbone interact. energy: -0.481
local terms energy: -52.038257
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -10.771
flat angles P-C4'-P energy: -6.626
tors. eta vs tors. theta energy: -4.236
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: 286
Temperature: 1.200000
Total energy: -96.099394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.099394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.099394 (E_RNA)
where:
Base-Base interactions energy: -39.147
where: short stacking energy: -32.856
Base-Backbone interact. energy: 0.463
local terms energy: -57.415049
where:
bonds (distance) C4'-P energy: -16.424
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -11.530
flat angles P-C4'-P energy: -8.975
tors. eta vs tors. theta energy: -4.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -96.868663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.868663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.868663 (E_RNA)
where:
Base-Base interactions energy: -41.359
where: short stacking energy: -29.761
Base-Backbone interact. energy: -0.214
local terms energy: -55.295788
where:
bonds (distance) C4'-P energy: -10.973
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -11.518
flat angles P-C4'-P energy: -10.634
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: 286
Temperature: 1.300000
Total energy: -79.621861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.621861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.621861 (E_RNA)
where:
Base-Base interactions energy: -24.141
where: short stacking energy: -18.647
Base-Backbone interact. energy: -0.073
local terms energy: -55.408692
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -13.096
flat angles P-C4'-P energy: -7.892
tors. eta vs tors. theta energy: -3.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -81.507899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.507899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.507899 (E_RNA)
where:
Base-Base interactions energy: -31.961
where: short stacking energy: -30.421
Base-Backbone interact. energy: -0.172
local terms energy: -49.374346
where:
bonds (distance) C4'-P energy: -8.506
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -1.410
tors. eta vs tors. theta energy: -10.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -222.131487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.131487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.131487 (E_RNA)
where:
Base-Base interactions energy: -138.513
where: short stacking energy: -73.746
Base-Backbone interact. energy: -0.016
local terms energy: -83.602197
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -18.890
flat angles C4'-P-C4' energy: -16.905
flat angles P-C4'-P energy: -12.534
tors. eta vs tors. theta energy: -22.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -199.938800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.938800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.938800 (E_RNA)
where:
Base-Base interactions energy: -125.586
where: short stacking energy: -60.936
Base-Backbone interact. energy: -0.059
local terms energy: -74.293796
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -14.100
flat angles C4'-P-C4' energy: -16.100
flat angles P-C4'-P energy: -12.517
tors. eta vs tors. theta energy: -17.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -196.658027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.658027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.658027 (E_RNA)
where:
Base-Base interactions energy: -133.895
where: short stacking energy: -53.153
Base-Backbone interact. energy: -0.327
local terms energy: -62.435646
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -10.812
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -9.317
tors. eta vs tors. theta energy: -11.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -211.006650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.006650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.006650 (E_RNA)
where:
Base-Base interactions energy: -142.367
where: short stacking energy: -76.221
Base-Backbone interact. energy: -0.062
local terms energy: -68.577684
where:
bonds (distance) C4'-P energy: -7.254
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -15.923
flat angles P-C4'-P energy: -9.906
tors. eta vs tors. theta energy: -22.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -159.834847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.834847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.834847 (E_RNA)
where:
Base-Base interactions energy: -97.738
where: short stacking energy: -49.683
Base-Backbone interact. energy: -0.249
local terms energy: -61.847679
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -10.456
flat angles P-C4'-P energy: -9.446
tors. eta vs tors. theta energy: -12.275
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: 1
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -91.735674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.735674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.735674 (E_RNA)
where:
Base-Base interactions energy: -47.845
where: short stacking energy: -30.667
Base-Backbone interact. energy: -0.097
local terms energy: -43.792832
where:
bonds (distance) C4'-P energy: -14.259
bonds (distance) P-C4' energy: -9.216
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -5.060
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: 7, replica: 3
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -88.422395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.422395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.422395 (E_RNA)
where:
Base-Base interactions energy: -35.934
where: short stacking energy: -26.445
Base-Backbone interact. energy: -0.262
local terms energy: -52.226724
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -8.014
flat angles C4'-P-C4' energy: -9.879
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: -8.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -79.800713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.800713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.800713 (E_RNA)
where:
Base-Base interactions energy: -39.266
where: short stacking energy: -26.344
Base-Backbone interact. energy: -0.228
local terms energy: -40.307128
where:
bonds (distance) C4'-P energy: -9.851
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -10.996
flat angles P-C4'-P energy: -3.214
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: 9, replica: 7
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -87.717804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.717804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.717804 (E_RNA)
where:
Base-Base interactions energy: -33.553
where: short stacking energy: -33.553
Base-Backbone interact. energy: -0.016
local terms energy: -54.149009
where:
bonds (distance) C4'-P energy: -10.330
bonds (distance) P-C4' energy: -9.599
flat angles C4'-P-C4' energy: -15.527
flat angles P-C4'-P energy: -9.381
tors. eta vs tors. theta energy: -9.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -76.396927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.396927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.396927 (E_RNA)
where:
Base-Base interactions energy: -35.200
where: short stacking energy: -15.190
Base-Backbone interact. energy: -0.363
local terms energy: -40.833992
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -11.367
flat angles P-C4'-P energy: -6.661
tors. eta vs tors. theta energy: 5.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -227.106534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.106534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.106534 (E_RNA)
where:
Base-Base interactions energy: -141.955
where: short stacking energy: -75.524
Base-Backbone interact. energy: -0.048
local terms energy: -85.104222
where:
bonds (distance) C4'-P energy: -17.215
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -16.867
flat angles P-C4'-P energy: -12.243
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: 2, replica: 10
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -220.341124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.341124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.341124 (E_RNA)
where:
Base-Base interactions energy: -147.258
where: short stacking energy: -74.425
Base-Backbone interact. energy: -0.066
local terms energy: -73.017136
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -14.394
tors. eta vs tors. theta energy: -19.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -211.360347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.360347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.360347 (E_RNA)
where:
Base-Base interactions energy: -133.265
where: short stacking energy: -68.206
Base-Backbone interact. energy: -0.006
local terms energy: -78.089161
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -17.597
flat angles P-C4'-P energy: -13.978
tors. eta vs tors. theta energy: -17.348
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: 288
Temperature: 1.050000
Total energy: -214.002930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.002930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.002930 (E_RNA)
where:
Base-Base interactions energy: -135.305
where: short stacking energy: -71.235
Base-Backbone interact. energy: -0.031
local terms energy: -78.666927
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -14.888
flat angles P-C4'-P energy: -12.088
tors. eta vs tors. theta energy: -21.887
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: 8
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -162.899984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.899984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.899984 (E_RNA)
where:
Base-Base interactions energy: -86.384
where: short stacking energy: -60.850
Base-Backbone interact. energy: -0.059
local terms energy: -76.456541
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -14.059
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -11.892
tors. eta vs tors. theta energy: -19.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -87.925999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.925999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.925999 (E_RNA)
where:
Base-Base interactions energy: -40.401
where: short stacking energy: -24.165
Base-Backbone interact. energy: -0.171
local terms energy: -47.354135
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -15.384
flat angles C4'-P-C4' energy: -5.651
flat angles P-C4'-P energy: -7.640
tors. eta vs tors. theta energy: -5.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -87.204529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.204529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.204529 (E_RNA)
where:
Base-Base interactions energy: -37.171
where: short stacking energy: -34.551
Base-Backbone interact. energy: -0.070
local terms energy: -49.964190
where:
bonds (distance) C4'-P energy: -11.434
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -12.703
flat angles P-C4'-P energy: -4.938
tors. eta vs tors. theta energy: -8.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -86.711033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.711033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.711033 (E_RNA)
where:
Base-Base interactions energy: -30.493
where: short stacking energy: -30.493
Base-Backbone interact. energy: -0.149
local terms energy: -56.069081
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -10.399
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -11.029
tors. eta vs tors. theta energy: -4.511
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: 9, replica: 5
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -79.504042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.504042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.504042 (E_RNA)
where:
Base-Base interactions energy: -33.373
where: short stacking energy: -33.373
Base-Backbone interact. energy: 0.431
local terms energy: -46.562039
where:
bonds (distance) C4'-P energy: -6.931
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -13.063
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -2.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -67.913834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.913834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.913834 (E_RNA)
where:
Base-Base interactions energy: -28.425
where: short stacking energy: -27.391
Base-Backbone interact. energy: -0.328
local terms energy: -39.160983
where:
bonds (distance) C4'-P energy: -10.553
bonds (distance) P-C4' energy: -10.738
flat angles C4'-P-C4' energy: -9.030
flat angles P-C4'-P energy: -7.607
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: 1, replica: 2
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -221.007919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.007919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.007919 (E_RNA)
where:
Base-Base interactions energy: -141.736
where: short stacking energy: -74.431
Base-Backbone interact. energy: -0.059
local terms energy: -79.213109
where:
bonds (distance) C4'-P energy: -13.630
bonds (distance) P-C4' energy: -15.573
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -13.327
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: 2, replica: 10
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -223.572700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.572700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.572700 (E_RNA)
where:
Base-Base interactions energy: -142.460
where: short stacking energy: -74.372
Base-Backbone interact. energy: -0.060
local terms energy: -81.052667
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -16.982
flat angles P-C4'-P energy: -13.622
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: 3, replica: 4
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -214.332626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.332626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.332626 (E_RNA)
where:
Base-Base interactions energy: -138.716
where: short stacking energy: -72.006
Base-Backbone interact. energy: -0.431
local terms energy: -75.185831
where:
bonds (distance) C4'-P energy: -14.996
bonds (distance) P-C4' energy: -12.472
flat angles C4'-P-C4' energy: -16.248
flat angles P-C4'-P energy: -11.598
tors. eta vs tors. theta energy: -19.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -169.560427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.560427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.560427 (E_RNA)
where:
Base-Base interactions energy: -98.379
where: short stacking energy: -55.548
Base-Backbone interact. energy: -0.003
local terms energy: -71.178734
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -13.397
flat angles C4'-P-C4' energy: -9.938
flat angles P-C4'-P energy: -14.719
tors. eta vs tors. theta energy: -17.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -206.415983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.415983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.415983 (E_RNA)
where:
Base-Base interactions energy: -134.985
where: short stacking energy: -66.797
Base-Backbone interact. energy: -0.096
local terms energy: -71.335243
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: -19.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -99.333481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.333481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.333481 (E_RNA)
where:
Base-Base interactions energy: -41.829
where: short stacking energy: -41.829
Base-Backbone interact. energy: -0.061
local terms energy: -57.444391
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -11.745
flat angles P-C4'-P energy: -5.891
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: 7, replica: 1
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -90.022522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.022522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.022522 (E_RNA)
where:
Base-Base interactions energy: -36.158
where: short stacking energy: -22.114
Base-Backbone interact. energy: -0.079
local terms energy: -53.785633
where:
bonds (distance) C4'-P energy: -12.421
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -12.868
flat angles P-C4'-P energy: -11.109
tors. eta vs tors. theta energy: 0.076
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: 5
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -92.726417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.726417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.726417 (E_RNA)
where:
Base-Base interactions energy: -34.801
where: short stacking energy: -34.801
Base-Backbone interact. energy: -0.293
local terms energy: -57.632139
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -15.348
flat angles C4'-P-C4' energy: -12.652
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -5.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -84.365382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.365382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.365382 (E_RNA)
where:
Base-Base interactions energy: -29.033
where: short stacking energy: -22.307
Base-Backbone interact. energy: -0.533
local terms energy: -54.799813
where:
bonds (distance) C4'-P energy: -15.324
bonds (distance) P-C4' energy: -15.055
flat angles C4'-P-C4' energy: -12.142
flat angles P-C4'-P energy: -12.745
tors. eta vs tors. theta energy: 0.466
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: 289
Temperature: 1.350000
Total energy: -77.254132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.254132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.254132 (E_RNA)
where:
Base-Base interactions energy: -26.469
where: short stacking energy: -25.099
Base-Backbone interact. energy: -0.124
local terms energy: -50.661661
where:
bonds (distance) C4'-P energy: -10.843
bonds (distance) P-C4' energy: -14.366
flat angles C4'-P-C4' energy: -12.147
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: -4.535
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: 1, replica: 10
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -224.054417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.054417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.054417 (E_RNA)
where:
Base-Base interactions energy: -144.106
where: short stacking energy: -71.873
Base-Backbone interact. energy: -0.006
local terms energy: -79.941957
where:
bonds (distance) C4'-P energy: -18.110
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -13.528
tors. eta vs tors. theta energy: -17.383
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: 2, replica: 2
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -217.923131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.923131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.923131 (E_RNA)
where:
Base-Base interactions energy: -139.006
where: short stacking energy: -72.873
Base-Backbone interact. energy: -0.020
local terms energy: -78.897615
where:
bonds (distance) C4'-P energy: -12.389
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -13.295
tors. eta vs tors. theta energy: -23.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -211.881864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.881864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.881864 (E_RNA)
where:
Base-Base interactions energy: -142.896
where: short stacking energy: -68.216
Base-Backbone interact. energy: 0.367
local terms energy: -69.352753
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -18.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -180.592476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.592476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.592476 (E_RNA)
where:
Base-Base interactions energy: -107.014
where: short stacking energy: -63.069
Base-Backbone interact. energy: -0.010
local terms energy: -73.568693
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -8.777
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: 6
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -185.586855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.586855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.586855 (E_RNA)
where:
Base-Base interactions energy: -112.707
where: short stacking energy: -48.583
Base-Backbone interact. energy: -0.106
local terms energy: -72.774293
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -17.328
flat angles P-C4'-P energy: -9.916
tors. eta vs tors. theta energy: -13.199
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: 9
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -100.019171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.019171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.019171 (E_RNA)
where:
Base-Base interactions energy: -36.198
where: short stacking energy: -36.198
Base-Backbone interact. energy: 0.049
local terms energy: -63.870766
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -15.997
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -12.545
tors. eta vs tors. theta energy: -6.494
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: 5
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -78.843756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.843756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.843756 (E_RNA)
where:
Base-Base interactions energy: -29.529
where: short stacking energy: -29.529
Base-Backbone interact. energy: -0.023
local terms energy: -49.292098
where:
bonds (distance) C4'-P energy: -9.885
bonds (distance) P-C4' energy: -11.792
flat angles C4'-P-C4' energy: -15.450
flat angles P-C4'-P energy: -4.269
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: 8, replica: 1
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -83.651973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.651973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.651973 (E_RNA)
where:
Base-Base interactions energy: -31.342
where: short stacking energy: -22.408
Base-Backbone interact. energy: -0.286
local terms energy: -52.024246
where:
bonds (distance) C4'-P energy: -14.787
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -11.949
flat angles P-C4'-P energy: -9.277
tors. eta vs tors. theta energy: -1.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -83.958290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.958290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.958290 (E_RNA)
where:
Base-Base interactions energy: -28.046
where: short stacking energy: -28.046
Base-Backbone interact. energy: -0.094
local terms energy: -55.817710
where:
bonds (distance) C4'-P energy: -10.658
bonds (distance) P-C4' energy: -15.403
flat angles C4'-P-C4' energy: -14.263
flat angles P-C4'-P energy: -7.881
tors. eta vs tors. theta energy: -7.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -82.880398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.880398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.880398 (E_RNA)
where:
Base-Base interactions energy: -32.278
where: short stacking energy: -23.132
Base-Backbone interact. energy: -0.488
local terms energy: -50.114095
where:
bonds (distance) C4'-P energy: -14.432
bonds (distance) P-C4' energy: -13.443
flat angles C4'-P-C4' energy: -10.057
flat angles P-C4'-P energy: -10.223
tors. eta vs tors. theta energy: -1.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -223.445627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.445627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.445627 (E_RNA)
where:
Base-Base interactions energy: -140.686
where: short stacking energy: -74.845
Base-Backbone interact. energy: -0.770
local terms energy: -81.989568
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -24.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -215.446743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.446743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.446743 (E_RNA)
where:
Base-Base interactions energy: -138.287
where: short stacking energy: -72.388
Base-Backbone interact. energy: -0.736
local terms energy: -76.423572
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -15.601
flat angles P-C4'-P energy: -10.310
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: 3, replica: 4
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -197.378303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.378303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.378303 (E_RNA)
where:
Base-Base interactions energy: -127.300
where: short stacking energy: -61.179
Base-Backbone interact. energy: -0.101
local terms energy: -69.977164
where:
bonds (distance) C4'-P energy: -15.480
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -16.229
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -15.109
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: 8
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -177.987094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.987094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.987094 (E_RNA)
where:
Base-Base interactions energy: -104.155
where: short stacking energy: -63.069
Base-Backbone interact. energy: -0.067
local terms energy: -73.764934
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -15.049
flat angles C4'-P-C4' energy: -13.776
flat angles P-C4'-P energy: -12.658
tors. eta vs tors. theta energy: -20.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -170.167078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.167078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.167078 (E_RNA)
where:
Base-Base interactions energy: -102.769
where: short stacking energy: -48.369
Base-Backbone interact. energy: -0.708
local terms energy: -66.690025
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -9.504
tors. eta vs tors. theta energy: -9.990
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: 5
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -94.513973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.513973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.513973 (E_RNA)
where:
Base-Base interactions energy: -30.326
where: short stacking energy: -30.326
Base-Backbone interact. energy: -0.001
local terms energy: -64.186705
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -7.731
tors. eta vs tors. theta energy: -11.422
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: 9
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -93.374197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.374197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.374197 (E_RNA)
where:
Base-Base interactions energy: -45.567
where: short stacking energy: -34.230
Base-Backbone interact. energy: -0.039
local terms energy: -47.768784
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -12.142
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -7.179
tors. eta vs tors. theta energy: 1.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -83.452612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.452612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.452612 (E_RNA)
where:
Base-Base interactions energy: -26.836
where: short stacking energy: -26.461
Base-Backbone interact. energy: -0.552
local terms energy: -56.065165
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -13.967
flat angles C4'-P-C4' energy: -11.445
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: -4.381
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: 9, replica: 1
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -78.665536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.665536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.665536 (E_RNA)
where:
Base-Base interactions energy: -26.409
where: short stacking energy: -26.409
Base-Backbone interact. energy: -0.006
local terms energy: -52.250766
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -11.996
flat angles P-C4'-P energy: -4.709
tors. eta vs tors. theta energy: -6.467
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: 3
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -78.784693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.784693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.784693 (E_RNA)
where:
Base-Base interactions energy: -29.156
where: short stacking energy: -21.469
Base-Backbone interact. energy: -0.046
local terms energy: -49.582684
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -14.839
flat angles P-C4'-P energy: -6.984
tors. eta vs tors. theta energy: 0.242
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: 10
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -222.102317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.102317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.102317 (E_RNA)
where:
Base-Base interactions energy: -137.751
where: short stacking energy: -71.617
Base-Backbone interact. energy: -0.025
local terms energy: -84.325579
where:
bonds (distance) C4'-P energy: -15.575
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -18.297
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -24.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -214.674950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.674950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.674950 (E_RNA)
where:
Base-Base interactions energy: -134.634
where: short stacking energy: -69.172
Base-Backbone interact. energy: -0.024
local terms energy: -80.016367
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -15.465
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -22.744
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: 3, replica: 4
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -191.701616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.701616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.701616 (E_RNA)
where:
Base-Base interactions energy: -127.307
where: short stacking energy: -56.264
Base-Backbone interact. energy: -0.217
local terms energy: -64.177124
where:
bonds (distance) C4'-P energy: -6.327
bonds (distance) P-C4' energy: -15.373
flat angles C4'-P-C4' energy: -15.811
flat angles P-C4'-P energy: -13.448
tors. eta vs tors. theta energy: -13.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -179.998797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.998797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.998797 (E_RNA)
where:
Base-Base interactions energy: -115.341
where: short stacking energy: -57.679
Base-Backbone interact. energy: -0.009
local terms energy: -64.649024
where:
bonds (distance) C4'-P energy: -10.280
bonds (distance) P-C4' energy: -11.842
flat angles C4'-P-C4' energy: -15.760
flat angles P-C4'-P energy: -7.234
tors. eta vs tors. theta energy: -19.533
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: 6
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -198.212775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.212775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.212775 (E_RNA)
where:
Base-Base interactions energy: -128.448
where: short stacking energy: -64.909
Base-Backbone interact. energy: -0.391
local terms energy: -69.373334
where:
bonds (distance) C4'-P energy: -10.115
bonds (distance) P-C4' energy: -12.927
flat angles C4'-P-C4' energy: -14.399
flat angles P-C4'-P energy: -10.252
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: 6, replica: 5
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -102.202419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.202419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.202419 (E_RNA)
where:
Base-Base interactions energy: -50.418
where: short stacking energy: -50.418
Base-Backbone interact. energy: -0.005
local terms energy: -51.779532
where:
bonds (distance) C4'-P energy: -12.549
bonds (distance) P-C4' energy: -11.348
flat angles C4'-P-C4' energy: -10.190
flat angles P-C4'-P energy: -8.122
tors. eta vs tors. theta energy: -9.571
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: 7
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -105.725094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.725094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.725094 (E_RNA)
where:
Base-Base interactions energy: -48.647
where: short stacking energy: -32.857
Base-Backbone interact. energy: 0.076
local terms energy: -57.154622
where:
bonds (distance) C4'-P energy: -14.385
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -12.736
flat angles P-C4'-P energy: -6.259
tors. eta vs tors. theta energy: -8.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -92.330761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.330761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.330761 (E_RNA)
where:
Base-Base interactions energy: -33.996
where: short stacking energy: -32.148
Base-Backbone interact. energy: -0.744
local terms energy: -57.590977
where:
bonds (distance) C4'-P energy: -9.817
bonds (distance) P-C4' energy: -14.323
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -12.933
tors. eta vs tors. theta energy: -6.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -88.792746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.792746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.792746 (E_RNA)
where:
Base-Base interactions energy: -38.287
where: short stacking energy: -23.062
Base-Backbone interact. energy: 1.317
local terms energy: -51.822823
where:
bonds (distance) C4'-P energy: -12.376
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -6.500
tors. eta vs tors. theta energy: -4.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -78.818368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.818368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.818368 (E_RNA)
where:
Base-Base interactions energy: -30.177
where: short stacking energy: -30.177
Base-Backbone interact. energy: 0.828
local terms energy: -49.469258
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -14.720
flat angles C4'-P-C4' energy: -7.844
flat angles P-C4'-P energy: -11.411
tors. eta vs tors. theta energy: -3.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -224.353117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.353117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.353117 (E_RNA)
where:
Base-Base interactions energy: -145.782
where: short stacking energy: -65.682
Base-Backbone interact. energy: 0.446
local terms energy: -79.016453
where:
bonds (distance) C4'-P energy: -17.423
bonds (distance) P-C4' energy: -12.798
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -14.922
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: 2, replica: 2
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -220.600892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.600892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.600892 (E_RNA)
where:
Base-Base interactions energy: -142.979
where: short stacking energy: -71.340
Base-Backbone interact. energy: -0.037
local terms energy: -77.585350
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -13.657
flat angles C4'-P-C4' energy: -15.879
flat angles P-C4'-P energy: -14.208
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: 3, replica: 4
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -216.404636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.404636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.404636 (E_RNA)
where:
Base-Base interactions energy: -148.004
where: short stacking energy: -75.861
Base-Backbone interact. energy: -0.061
local terms energy: -68.339341
where:
bonds (distance) C4'-P energy: -9.917
bonds (distance) P-C4' energy: -14.175
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -10.178
tors. eta vs tors. theta energy: -18.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -207.527676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.527676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.527676 (E_RNA)
where:
Base-Base interactions energy: -137.614
where: short stacking energy: -71.184
Base-Backbone interact. energy: -0.001
local terms energy: -69.913404
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -12.834
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -7.962
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: 5, replica: 8
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -164.639716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.639716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.639716 (E_RNA)
where:
Base-Base interactions energy: -94.633
where: short stacking energy: -56.735
Base-Backbone interact. energy: -0.186
local terms energy: -69.820698
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -13.034
flat angles P-C4'-P energy: -11.425
tors. eta vs tors. theta energy: -15.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -110.291942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.291942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.291942 (E_RNA)
where:
Base-Base interactions energy: -52.893
where: short stacking energy: -39.672
Base-Backbone interact. energy: -0.299
local terms energy: -57.099698
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -11.508
flat angles C4'-P-C4' energy: -13.428
flat angles P-C4'-P energy: -9.442
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: 7, replica: 7
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -90.625095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.625095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.625095 (E_RNA)
where:
Base-Base interactions energy: -36.371
where: short stacking energy: -36.371
Base-Backbone interact. energy: -0.112
local terms energy: -54.141990
where:
bonds (distance) C4'-P energy: -15.151
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -7.594
flat angles P-C4'-P energy: -8.286
tors. eta vs tors. theta energy: -8.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -96.141648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.141648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.141648 (E_RNA)
where:
Base-Base interactions energy: -41.275
where: short stacking energy: -41.275
Base-Backbone interact. energy: -0.182
local terms energy: -54.684726
where:
bonds (distance) C4'-P energy: -7.383
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -16.067
flat angles P-C4'-P energy: -7.037
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: 9
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -79.711222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.711222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.711222 (E_RNA)
where:
Base-Base interactions energy: -23.517
where: short stacking energy: -18.649
Base-Backbone interact. energy: -0.119
local terms energy: -56.075313
where:
bonds (distance) C4'-P energy: -13.184
bonds (distance) P-C4' energy: -17.500
flat angles C4'-P-C4' energy: -12.958
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: -2.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -78.910749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.910749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.910749 (E_RNA)
where:
Base-Base interactions energy: -29.234
where: short stacking energy: -23.163
Base-Backbone interact. energy: 0.344
local terms energy: -50.020700
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -13.155
flat angles C4'-P-C4' energy: -10.608
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: -2.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -220.873683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.873683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.873683 (E_RNA)
where:
Base-Base interactions energy: -144.687
where: short stacking energy: -73.820
Base-Backbone interact. energy: -0.056
local terms energy: -76.130543
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -9.867
tors. eta vs tors. theta energy: -21.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -210.656603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.656603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.656603 (E_RNA)
where:
Base-Base interactions energy: -127.272
where: short stacking energy: -66.882
Base-Backbone interact. energy: -0.000
local terms energy: -83.384410
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -17.948
flat angles P-C4'-P energy: -11.096
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: 6
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -215.564523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.564523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.564523 (E_RNA)
where:
Base-Base interactions energy: -142.328
where: short stacking energy: -69.485
Base-Backbone interact. energy: -0.055
local terms energy: -73.181194
where:
bonds (distance) C4'-P energy: -10.141
bonds (distance) P-C4' energy: -15.048
flat angles C4'-P-C4' energy: -14.843
flat angles P-C4'-P energy: -11.648
tors. eta vs tors. theta energy: -21.502
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: 4
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -211.873651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.873651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.873651 (E_RNA)
where:
Base-Base interactions energy: -138.138
where: short stacking energy: -72.159
Base-Backbone interact. energy: -0.626
local terms energy: -73.109547
where:
bonds (distance) C4'-P energy: -14.528
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -17.281
flat angles P-C4'-P energy: -8.657
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: 5, replica: 8
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -154.571700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.571700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.571700 (E_RNA)
where:
Base-Base interactions energy: -91.552
where: short stacking energy: -54.549
Base-Backbone interact. energy: -0.067
local terms energy: -62.952526
where:
bonds (distance) C4'-P energy: -13.483
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -14.442
flat angles P-C4'-P energy: -6.370
tors. eta vs tors. theta energy: -12.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -100.031563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.031563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.031563 (E_RNA)
where:
Base-Base interactions energy: -50.024
where: short stacking energy: -25.434
Base-Backbone interact. energy: 1.657
local terms energy: -51.664044
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -13.869
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -8.953
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: 7, replica: 7
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -96.165123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.165123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.165123 (E_RNA)
where:
Base-Base interactions energy: -42.722
where: short stacking energy: -26.640
Base-Backbone interact. energy: -0.148
local terms energy: -53.294492
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -13.822
flat angles C4'-P-C4' energy: -14.260
flat angles P-C4'-P energy: -3.285
tors. eta vs tors. theta energy: -6.851
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: 8, replica: 3
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -73.572564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.572564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.572564 (E_RNA)
where:
Base-Base interactions energy: -25.266
where: short stacking energy: -17.141
Base-Backbone interact. energy: -0.125
local terms energy: -48.182300
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -16.038
flat angles C4'-P-C4' energy: -12.712
flat angles P-C4'-P energy: -7.600
tors. eta vs tors. theta energy: 0.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -82.724280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.724280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.724280 (E_RNA)
where:
Base-Base interactions energy: -35.103
where: short stacking energy: -22.387
Base-Backbone interact. energy: -0.005
local terms energy: -47.616183
where:
bonds (distance) C4'-P energy: -12.423
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -13.435
flat angles P-C4'-P energy: -4.981
tors. eta vs tors. theta energy: -0.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -73.173929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.173929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.173929 (E_RNA)
where:
Base-Base interactions energy: -25.847
where: short stacking energy: -18.543
Base-Backbone interact. energy: -0.375
local terms energy: -46.951894
where:
bonds (distance) C4'-P energy: -10.518
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -13.290
flat angles P-C4'-P energy: -11.245
tors. eta vs tors. theta energy: 1.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -220.485261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.485261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.485261 (E_RNA)
where:
Base-Base interactions energy: -138.694
where: short stacking energy: -75.897
Base-Backbone interact. energy: -0.005
local terms energy: -81.785508
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -15.196
flat angles P-C4'-P energy: -13.861
tors. eta vs tors. theta energy: -21.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -217.234618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.234618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.234618 (E_RNA)
where:
Base-Base interactions energy: -140.752
where: short stacking energy: -74.212
Base-Backbone interact. energy: 2.818
local terms energy: -79.300397
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -10.185
tors. eta vs tors. theta energy: -22.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -204.187463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.187463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.187463 (E_RNA)
where:
Base-Base interactions energy: -131.286
where: short stacking energy: -66.126
Base-Backbone interact. energy: -0.100
local terms energy: -72.801456
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -16.415
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -10.729
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: 4, replica: 4
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -213.618612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.618612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.618612 (E_RNA)
where:
Base-Base interactions energy: -147.426
where: short stacking energy: -63.919
Base-Backbone interact. energy: -0.019
local terms energy: -66.174110
where:
bonds (distance) C4'-P energy: -7.879
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -12.747
flat angles P-C4'-P energy: -11.622
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: 5, replica: 8
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -156.315054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.315054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.315054 (E_RNA)
where:
Base-Base interactions energy: -89.439
where: short stacking energy: -49.302
Base-Backbone interact. energy: 0.292
local terms energy: -67.167808
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -10.783
flat angles C4'-P-C4' energy: -14.449
flat angles P-C4'-P energy: -11.760
tors. eta vs tors. theta energy: -13.904
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: 5
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -106.379139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.379139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.379139 (E_RNA)
where:
Base-Base interactions energy: -49.447
where: short stacking energy: -45.188
Base-Backbone interact. energy: -0.111
local terms energy: -56.821569
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -15.489
flat angles C4'-P-C4' energy: -8.793
flat angles P-C4'-P energy: -7.722
tors. eta vs tors. theta energy: -12.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -119.483785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.483785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.483785 (E_RNA)
where:
Base-Base interactions energy: -66.472
where: short stacking energy: -36.939
Base-Backbone interact. energy: -0.095
local terms energy: -52.916750
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -14.028
flat angles P-C4'-P energy: -3.814
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: 8, replica: 1
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -87.999430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.999430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.999430 (E_RNA)
where:
Base-Base interactions energy: -40.181
where: short stacking energy: -25.436
Base-Backbone interact. energy: -0.095
local terms energy: -47.722840
where:
bonds (distance) C4'-P energy: -10.617
bonds (distance) P-C4' energy: -11.168
flat angles C4'-P-C4' energy: -16.737
flat angles P-C4'-P energy: -5.873
tors. eta vs tors. theta energy: -3.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -83.525158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.525158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.525158 (E_RNA)
where:
Base-Base interactions energy: -34.799
where: short stacking energy: -33.534
Base-Backbone interact. energy: 0.595
local terms energy: -49.320279
where:
bonds (distance) C4'-P energy: -10.319
bonds (distance) P-C4' energy: -17.027
flat angles C4'-P-C4' energy: -11.818
flat angles P-C4'-P energy: -4.288
tors. eta vs tors. theta energy: -5.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -91.952379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.952379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.952379 (E_RNA)
where:
Base-Base interactions energy: -50.983
where: short stacking energy: -22.965
Base-Backbone interact. energy: 0.251
local terms energy: -41.220564
where:
bonds (distance) C4'-P energy: -10.174
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -9.587
flat angles P-C4'-P energy: -8.376
tors. eta vs tors. theta energy: -0.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -220.559953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.559953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.559953 (E_RNA)
where:
Base-Base interactions energy: -141.644
where: short stacking energy: -73.231
Base-Backbone interact. energy: -0.006
local terms energy: -78.910360
where:
bonds (distance) C4'-P energy: -13.497
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -19.164
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: -19.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -215.319636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.319636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.319636 (E_RNA)
where:
Base-Base interactions energy: -135.936
where: short stacking energy: -68.707
Base-Backbone interact. energy: -0.231
local terms energy: -79.152392
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -18.107
flat angles C4'-P-C4' energy: -17.252
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: -19.269
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: 4
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -215.873908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.873908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.873908 (E_RNA)
where:
Base-Base interactions energy: -141.296
where: short stacking energy: -71.993
Base-Backbone interact. energy: -0.079
local terms energy: -74.499758
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -12.545
flat angles C4'-P-C4' energy: -15.971
flat angles P-C4'-P energy: -13.286
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: 4, replica: 6
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -199.579127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.579127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.579127 (E_RNA)
where:
Base-Base interactions energy: -126.263
where: short stacking energy: -65.055
Base-Backbone interact. energy: -0.014
local terms energy: -73.302881
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -17.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -164.660458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.660458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.660458 (E_RNA)
where:
Base-Base interactions energy: -91.690
where: short stacking energy: -56.453
Base-Backbone interact. energy: -0.028
local terms energy: -72.942193
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -14.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -93.464933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.464933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.464933 (E_RNA)
where:
Base-Base interactions energy: -38.477
where: short stacking energy: -29.766
Base-Backbone interact. energy: -0.318
local terms energy: -54.669960
where:
bonds (distance) C4'-P energy: -11.448
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -7.059
tors. eta vs tors. theta energy: -6.083
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: 7, replica: 1
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -84.031411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.031411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.031411 (E_RNA)
where:
Base-Base interactions energy: -34.076
where: short stacking energy: -34.076
Base-Backbone interact. energy: -0.120
local terms energy: -49.835830
where:
bonds (distance) C4'-P energy: -12.000
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -11.822
flat angles P-C4'-P energy: -2.510
tors. eta vs tors. theta energy: -8.636
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: 7
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -105.467815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.467815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.467815 (E_RNA)
where:
Base-Base interactions energy: -58.200
where: short stacking energy: -32.633
Base-Backbone interact. energy: -0.267
local terms energy: -47.001290
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -7.409
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -1.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -93.088067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.088067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.088067 (E_RNA)
where:
Base-Base interactions energy: -40.248
where: short stacking energy: -22.610
Base-Backbone interact. energy: -0.263
local terms energy: -52.577053
where:
bonds (distance) C4'-P energy: -11.336
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -13.720
flat angles P-C4'-P energy: -11.793
tors. eta vs tors. theta energy: -2.341
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: 3
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -70.626200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.626200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.626200 (E_RNA)
where:
Base-Base interactions energy: -23.334
where: short stacking energy: -23.334
Base-Backbone interact. energy: -0.029
local terms energy: -47.263292
where:
bonds (distance) C4'-P energy: -10.153
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -11.614
flat angles P-C4'-P energy: -7.378
tors. eta vs tors. theta energy: -2.895
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: 297
Temperature: 0.900000
Total energy: -223.171406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.171406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.171406 (E_RNA)
where:
Base-Base interactions energy: -148.514
where: short stacking energy: -71.957
Base-Backbone interact. energy: 1.064
local terms energy: -75.721452
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -13.052
tors. eta vs tors. theta energy: -18.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -225.876190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.876190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.876190 (E_RNA)
where:
Base-Base interactions energy: -143.539
where: short stacking energy: -72.112
Base-Backbone interact. energy: -0.033
local terms energy: -82.303520
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -17.178
flat angles P-C4'-P energy: -13.070
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: 10
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -214.396002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.396002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.396002 (E_RNA)
where:
Base-Base interactions energy: -140.495
where: short stacking energy: -70.016
Base-Backbone interact. energy: -0.002
local terms energy: -73.899273
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -16.446
flat angles P-C4'-P energy: -9.876
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: 6
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -202.202223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.202223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.202223 (E_RNA)
where:
Base-Base interactions energy: -124.586
where: short stacking energy: -68.675
Base-Backbone interact. energy: -0.014
local terms energy: -77.602555
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -17.026
flat angles P-C4'-P energy: -11.023
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: 5, replica: 8
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -158.713108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.713108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.713108 (E_RNA)
where:
Base-Base interactions energy: -95.060
where: short stacking energy: -54.334
Base-Backbone interact. energy: -0.627
local terms energy: -63.025794
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -12.922
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -5.723
tors. eta vs tors. theta energy: -15.669
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: 5
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -93.485301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.485301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.485301 (E_RNA)
where:
Base-Base interactions energy: -41.648
where: short stacking energy: -41.306
Base-Backbone interact. energy: -0.053
local terms energy: -51.783942
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -11.104
flat angles C4'-P-C4' energy: -10.031
flat angles P-C4'-P energy: -8.133
tors. eta vs tors. theta energy: -9.922
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: 1
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -91.635913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.635913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.635913 (E_RNA)
where:
Base-Base interactions energy: -30.372
where: short stacking energy: -30.223
Base-Backbone interact. energy: -0.079
local terms energy: -61.185177
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -9.970
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: 8, replica: 9
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -82.074281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.074281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.074281 (E_RNA)
where:
Base-Base interactions energy: -31.914
where: short stacking energy: -24.118
Base-Backbone interact. energy: -0.198
local terms energy: -49.961928
where:
bonds (distance) C4'-P energy: -10.889
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -11.829
flat angles P-C4'-P energy: -8.972
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: 9, replica: 7
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -88.722765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.722765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.722765 (E_RNA)
where:
Base-Base interactions energy: -37.564
where: short stacking energy: -29.142
Base-Backbone interact. energy: 5.644
local terms energy: -56.802500
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -7.232
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -8.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -82.164124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.164124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.164124 (E_RNA)
where:
Base-Base interactions energy: -31.640
where: short stacking energy: -29.230
Base-Backbone interact. energy: -0.169
local terms energy: -50.354521
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -14.509
flat angles C4'-P-C4' energy: -11.837
flat angles P-C4'-P energy: -1.981
tors. eta vs tors. theta energy: -7.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -222.425325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.425325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.425325 (E_RNA)
where:
Base-Base interactions energy: -145.527
where: short stacking energy: -75.674
Base-Backbone interact. energy: -0.012
local terms energy: -76.886633
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -13.306
flat angles P-C4'-P energy: -11.805
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: 2, replica: 2
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -220.215669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.215669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.215669 (E_RNA)
where:
Base-Base interactions energy: -139.535
where: short stacking energy: -68.435
Base-Backbone interact. energy: -0.033
local terms energy: -80.647728
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -10.149
tors. eta vs tors. theta energy: -21.996
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: 6
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -210.753355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.753355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.753355 (E_RNA)
where:
Base-Base interactions energy: -133.003
where: short stacking energy: -73.756
Base-Backbone interact. energy: -0.042
local terms energy: -77.708801
where:
bonds (distance) C4'-P energy: -9.690
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -18.119
flat angles P-C4'-P energy: -10.714
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: 10
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -189.012395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.012395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.012395 (E_RNA)
where:
Base-Base interactions energy: -112.693
where: short stacking energy: -54.447
Base-Backbone interact. energy: -0.082
local terms energy: -76.237408
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -15.723
flat angles C4'-P-C4' energy: -15.774
flat angles P-C4'-P energy: -10.906
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: 5, replica: 5
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -114.170349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.170349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.170349 (E_RNA)
where:
Base-Base interactions energy: -54.978
where: short stacking energy: -54.674
Base-Backbone interact. energy: -0.033
local terms energy: -59.159312
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -10.742
flat angles C4'-P-C4' energy: -16.594
flat angles P-C4'-P energy: -9.786
tors. eta vs tors. theta energy: -10.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -145.078724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.078724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.078724 (E_RNA)
where:
Base-Base interactions energy: -80.913
where: short stacking energy: -45.157
Base-Backbone interact. energy: -0.043
local terms energy: -64.122377
where:
bonds (distance) C4'-P energy: -14.331
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -8.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -86.559917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.559917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.559917 (E_RNA)
where:
Base-Base interactions energy: -28.151
where: short stacking energy: -28.151
Base-Backbone interact. energy: -0.183
local terms energy: -58.225952
where:
bonds (distance) C4'-P energy: -15.494
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -10.228
flat angles P-C4'-P energy: -8.730
tors. eta vs tors. theta energy: -7.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -79.358743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.358743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.358743 (E_RNA)
where:
Base-Base interactions energy: -31.681
where: short stacking energy: -26.414
Base-Backbone interact. energy: -0.075
local terms energy: -47.602231
where:
bonds (distance) C4'-P energy: -16.727
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -11.594
flat angles P-C4'-P energy: -2.889
tors. eta vs tors. theta energy: -1.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -84.644542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.644542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.644542 (E_RNA)
where:
Base-Base interactions energy: -35.924
where: short stacking energy: -35.924
Base-Backbone interact. energy: -0.175
local terms energy: -48.544801
where:
bonds (distance) C4'-P energy: -12.760
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -12.527
flat angles P-C4'-P energy: -7.837
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: 10, replica: 7
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -69.437667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.437667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.437667 (E_RNA)
where:
Base-Base interactions energy: -18.396
where: short stacking energy: -18.396
Base-Backbone interact. energy: -0.236
local terms energy: -50.806162
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -12.358
flat angles C4'-P-C4' energy: -18.089
flat angles P-C4'-P energy: -7.370
tors. eta vs tors. theta energy: 2.048
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: 4
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -214.292041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.292041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.292041 (E_RNA)
where:
Base-Base interactions energy: -134.279
where: short stacking energy: -69.510
Base-Backbone interact. energy: -0.252
local terms energy: -79.761599
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -17.531
flat angles P-C4'-P energy: -12.683
tors. eta vs tors. theta energy: -21.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -207.140295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.140295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.140295 (E_RNA)
where:
Base-Base interactions energy: -131.216
where: short stacking energy: -64.218
Base-Backbone interact. energy: -0.044
local terms energy: -75.881074
where:
bonds (distance) C4'-P energy: -15.759
bonds (distance) P-C4' energy: -13.829
flat angles C4'-P-C4' energy: -15.925
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: -19.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -216.257768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.257768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.257768 (E_RNA)
where:
Base-Base interactions energy: -139.223
where: short stacking energy: -69.151
Base-Backbone interact. energy: -0.036
local terms energy: -76.999611
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -17.342
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -19.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -211.017418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.017418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.017418 (E_RNA)
where:
Base-Base interactions energy: -140.591
where: short stacking energy: -65.463
Base-Backbone interact. energy: -0.066
local terms energy: -70.360253
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -16.449
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -13.588
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: 299
Temperature: 1.100000
Total energy: -104.667911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.667911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.667911 (E_RNA)
where:
Base-Base interactions energy: -52.277
where: short stacking energy: -40.759
Base-Backbone interact. energy: -0.106
local terms energy: -52.285175
where:
bonds (distance) C4'-P energy: -16.385
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -12.439
flat angles P-C4'-P energy: -3.304
tors. eta vs tors. theta energy: -6.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -140.900600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.900600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.900600 (E_RNA)
where:
Base-Base interactions energy: -82.498
where: short stacking energy: -46.369
Base-Backbone interact. energy: 0.253
local terms energy: -58.655769
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -14.236
flat angles C4'-P-C4' energy: -16.523
flat angles P-C4'-P energy: -5.041
tors. eta vs tors. theta energy: -8.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -136.340538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.340538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.340538 (E_RNA)
where:
Base-Base interactions energy: -81.146
where: short stacking energy: -52.009
Base-Backbone interact. energy: -0.110
local terms energy: -55.084021
where:
bonds (distance) C4'-P energy: -12.176
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -10.528
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: -9.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -84.301142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.301142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.301142 (E_RNA)
where:
Base-Base interactions energy: -30.853
where: short stacking energy: -24.131
Base-Backbone interact. energy: -0.360
local terms energy: -53.088258
where:
bonds (distance) C4'-P energy: -11.717
bonds (distance) P-C4' energy: -16.866
flat angles C4'-P-C4' energy: -17.977
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: 2.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -86.946569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.946569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.946569 (E_RNA)
where:
Base-Base interactions energy: -33.841
where: short stacking energy: -29.724
Base-Backbone interact. energy: 1.120
local terms energy: -54.226155
where:
bonds (distance) C4'-P energy: -15.674
bonds (distance) P-C4' energy: -14.094
flat angles C4'-P-C4' energy: -16.765
flat angles P-C4'-P energy: -5.214
tors. eta vs tors. theta energy: -2.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -73.395909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.395909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.395909 (E_RNA)
where:
Base-Base interactions energy: -26.663
where: short stacking energy: -26.663
Base-Backbone interact. energy: 2.752
local terms energy: -49.484877
where:
bonds (distance) C4'-P energy: -10.579
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -13.100
flat angles P-C4'-P energy: -8.669
tors. eta vs tors. theta energy: -1.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -216.877537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.877537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.877537 (E_RNA)
where:
Base-Base interactions energy: -141.372
where: short stacking energy: -75.310
Base-Backbone interact. energy: -0.870
local terms energy: -74.635476
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -15.082
flat angles P-C4'-P energy: -12.235
tors. eta vs tors. theta energy: -17.469
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: 4
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -225.462891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.462891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.462891 (E_RNA)
where:
Base-Base interactions energy: -144.779
where: short stacking energy: -78.782
Base-Backbone interact. energy: -0.709
local terms energy: -79.974353
where:
bonds (distance) C4'-P energy: -9.999
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -18.459
flat angles P-C4'-P energy: -10.056
tors. eta vs tors. theta energy: -24.401
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: 10
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -214.651845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.651845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.651845 (E_RNA)
where:
Base-Base interactions energy: -145.548
where: short stacking energy: -74.956
Base-Backbone interact. energy: -0.035
local terms energy: -69.068878
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -6.997
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -11.490
tors. eta vs tors. theta energy: -21.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -202.823430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.823430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.823430 (E_RNA)
where:
Base-Base interactions energy: -131.745
where: short stacking energy: -64.913
Base-Backbone interact. energy: -0.236
local terms energy: -70.842961
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -12.731
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -9.445
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: 5, replica: 8
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -150.601819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.601819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.601819 (E_RNA)
where:
Base-Base interactions energy: -82.153
where: short stacking energy: -45.196
Base-Backbone interact. energy: -0.110
local terms energy: -68.339675
where:
bonds (distance) C4'-P energy: -17.344
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -7.988
tors. eta vs tors. theta energy: -11.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -108.170614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.170614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.170614 (E_RNA)
where:
Base-Base interactions energy: -48.157
where: short stacking energy: -48.157
Base-Backbone interact. energy: -0.744
local terms energy: -59.269548
where:
bonds (distance) C4'-P energy: -12.665
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -13.653
flat angles P-C4'-P energy: -6.240
tors. eta vs tors. theta energy: -13.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -149.493615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.493615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.493615 (E_RNA)
where:
Base-Base interactions energy: -86.721
where: short stacking energy: -46.254
Base-Backbone interact. energy: -0.620
local terms energy: -62.152370
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -14.699
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -6.932
tors. eta vs tors. theta energy: -11.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -85.966708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.966708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.966708 (E_RNA)
where:
Base-Base interactions energy: -37.885
where: short stacking energy: -34.454
Base-Backbone interact. energy: -0.027
local terms energy: -48.053861
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -9.861
flat angles C4'-P-C4' energy: -13.478
flat angles P-C4'-P energy: -7.450
tors. eta vs tors. theta energy: -3.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -78.878889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.878889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.878889 (E_RNA)
where:
Base-Base interactions energy: -20.393
where: short stacking energy: -20.393
Base-Backbone interact. energy: -0.172
local terms energy: -58.314536
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -14.692
flat angles P-C4'-P energy: -11.330
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: 10, replica: 1
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -77.505645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.505645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.505645 (E_RNA)
where:
Base-Base interactions energy: -32.595
where: short stacking energy: -28.599
Base-Backbone interact. energy: -0.153
local terms energy: -44.758341
where:
bonds (distance) C4'-P energy: -12.069
bonds (distance) P-C4' energy: -8.433
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -11.857
tors. eta vs tors. theta energy: 2.223
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: 6
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -222.078747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.078747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.078747 (E_RNA)
where:
Base-Base interactions energy: -145.191
where: short stacking energy: -76.967
Base-Backbone interact. energy: -0.003
local terms energy: -76.884762
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -16.618
flat angles P-C4'-P energy: -11.648
tors. eta vs tors. theta energy: -21.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -223.452046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.452046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.452046 (E_RNA)
where:
Base-Base interactions energy: -148.220
where: short stacking energy: -73.484
Base-Backbone interact. energy: -0.008
local terms energy: -75.223371
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -18.902
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -7.446
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: 4
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -216.025794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.025794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.025794 (E_RNA)
where:
Base-Base interactions energy: -142.091
where: short stacking energy: -70.109
Base-Backbone interact. energy: -0.052
local terms energy: -73.883605
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -15.249
flat angles C4'-P-C4' energy: -16.243
flat angles P-C4'-P energy: -10.803
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: 4, replica: 2
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -214.374989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.374989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.374989 (E_RNA)
where:
Base-Base interactions energy: -133.581
where: short stacking energy: -67.951
Base-Backbone interact. energy: -0.389
local terms energy: -80.404804
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -15.114
flat angles P-C4'-P energy: -11.946
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: 5, replica: 8
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -163.842377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.842377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.842377 (E_RNA)
where:
Base-Base interactions energy: -97.192
where: short stacking energy: -54.657
Base-Backbone interact. energy: 0.917
local terms energy: -67.567002
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -13.866
flat angles C4'-P-C4' energy: -14.176
flat angles P-C4'-P energy: -8.974
tors. eta vs tors. theta energy: -16.522
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: 9
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -173.336179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.336179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.336179 (E_RNA)
where:
Base-Base interactions energy: -107.164
where: short stacking energy: -55.322
Base-Backbone interact. energy: -0.104
local terms energy: -66.067935
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -10.408
flat angles P-C4'-P energy: -12.013
tors. eta vs tors. theta energy: -14.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -88.284962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.284962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.284962 (E_RNA)
where:
Base-Base interactions energy: -30.606
where: short stacking energy: -27.749
Base-Backbone interact. energy: -0.183
local terms energy: -57.495996
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -15.982
flat angles P-C4'-P energy: -6.583
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: 8, replica: 7
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -80.954338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.954338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.954338 (E_RNA)
where:
Base-Base interactions energy: -27.836
where: short stacking energy: -27.836
Base-Backbone interact. energy: -0.355
local terms energy: -52.762938
where:
bonds (distance) C4'-P energy: -12.653
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -4.383
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -8.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -77.117346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.117346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.117346 (E_RNA)
where:
Base-Base interactions energy: -31.170
where: short stacking energy: -30.187
Base-Backbone interact. energy: -0.350
local terms energy: -45.597275
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -11.404
flat angles C4'-P-C4' energy: -14.108
flat angles P-C4'-P energy: -6.703
tors. eta vs tors. theta energy: -1.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -72.925410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.925410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.925410 (E_RNA)
where:
Base-Base interactions energy: -23.070
where: short stacking energy: -22.739
Base-Backbone interact. energy: -0.390
local terms energy: -49.465829
where:
bonds (distance) C4'-P energy: -11.874
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -8.528
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: -3.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -221.403003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.403003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.403003 (E_RNA)
where:
Base-Base interactions energy: -142.657
where: short stacking energy: -70.003
Base-Backbone interact. energy: -0.140
local terms energy: -78.605872
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -19.363
flat angles P-C4'-P energy: -8.791
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: 10
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -219.417703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.417703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.417703 (E_RNA)
where:
Base-Base interactions energy: -137.923
where: short stacking energy: -62.938
Base-Backbone interact. energy: 0.800
local terms energy: -82.294082
where:
bonds (distance) C4'-P energy: -15.061
bonds (distance) P-C4' energy: -18.641
flat angles C4'-P-C4' energy: -16.524
flat angles P-C4'-P energy: -11.589
tors. eta vs tors. theta energy: -20.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -209.282976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.282976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.282976 (E_RNA)
where:
Base-Base interactions energy: -123.809
where: short stacking energy: -62.569
Base-Backbone interact. energy: -0.000
local terms energy: -85.473556
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -17.071
flat angles P-C4'-P energy: -13.725
tors. eta vs tors. theta energy: -19.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -214.386771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.386771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.386771 (E_RNA)
where:
Base-Base interactions energy: -138.551
where: short stacking energy: -72.007
Base-Backbone interact. energy: -0.106
local terms energy: -75.729077
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -14.295
tors. eta vs tors. theta energy: -19.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -152.267615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.267615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.267615 (E_RNA)
where:
Base-Base interactions energy: -88.072
where: short stacking energy: -46.955
Base-Backbone interact. energy: 0.774
local terms energy: -64.969578
where:
bonds (distance) C4'-P energy: -16.000
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -15.411
flat angles P-C4'-P energy: -9.423
tors. eta vs tors. theta energy: -9.927
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: 9
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -152.903038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.903038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.903038 (E_RNA)
where:
Base-Base interactions energy: -89.896
where: short stacking energy: -43.380
Base-Backbone interact. energy: 0.021
local terms energy: -63.027901
where:
bonds (distance) C4'-P energy: -15.443
bonds (distance) P-C4' energy: -16.070
flat angles C4'-P-C4' energy: -8.332
flat angles P-C4'-P energy: -10.836
tors. eta vs tors. theta energy: -12.347
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: 7
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -89.110462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.110462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.110462 (E_RNA)
where:
Base-Base interactions energy: -36.584
where: short stacking energy: -36.584
Base-Backbone interact. energy: -0.006
local terms energy: -52.520511
where:
bonds (distance) C4'-P energy: -11.326
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -16.562
flat angles P-C4'-P energy: -6.078
tors. eta vs tors. theta energy: -3.449
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: 5
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -90.991565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.991565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.991565 (E_RNA)
where:
Base-Base interactions energy: -32.543
where: short stacking energy: -32.643
Base-Backbone interact. energy: -0.014
local terms energy: -58.435395
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -13.231
flat angles P-C4'-P energy: -8.165
tors. eta vs tors. theta energy: -8.402
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: 9, replica: 1
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -86.165781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.165781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.165781 (E_RNA)
where:
Base-Base interactions energy: -33.683
where: short stacking energy: -33.683
Base-Backbone interact. energy: -0.440
local terms energy: -52.043172
where:
bonds (distance) C4'-P energy: -9.597
bonds (distance) P-C4' energy: -14.728
flat angles C4'-P-C4' energy: -16.178
flat angles P-C4'-P energy: -8.063
tors. eta vs tors. theta energy: -3.477
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: 10, replica: 3
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -80.018403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.018403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.018403 (E_RNA)
where:
Base-Base interactions energy: -27.318
where: short stacking energy: -19.704
Base-Backbone interact. energy: -0.055
local terms energy: -52.645243
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -15.155
flat angles C4'-P-C4' energy: -9.043
flat angles P-C4'-P energy: -9.026
tors. eta vs tors. theta energy: -5.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -220.191397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.191397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.191397 (E_RNA)
where:
Base-Base interactions energy: -145.165
where: short stacking energy: -70.000
Base-Backbone interact. energy: -0.001
local terms energy: -75.024723
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -17.362
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -17.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -213.512814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.512814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.512814 (E_RNA)
where:
Base-Base interactions energy: -135.342
where: short stacking energy: -68.895
Base-Backbone interact. energy: -0.005
local terms energy: -78.165318
where:
bonds (distance) C4'-P energy: -14.387
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -14.456
flat angles P-C4'-P energy: -11.477
tors. eta vs tors. theta energy: -22.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -204.767792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.767792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.767792 (E_RNA)
where:
Base-Base interactions energy: -131.894
where: short stacking energy: -68.077
Base-Backbone interact. energy: -0.203
local terms energy: -72.670690
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -12.778
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -9.423
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: 4, replica: 2
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -207.762338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.762338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.762338 (E_RNA)
where:
Base-Base interactions energy: -135.053
where: short stacking energy: -72.767
Base-Backbone interact. energy: -0.298
local terms energy: -72.411285
where:
bonds (distance) C4'-P energy: -11.586
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -9.440
tors. eta vs tors. theta energy: -19.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -148.922859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.922859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.922859 (E_RNA)
where:
Base-Base interactions energy: -96.855
where: short stacking energy: -51.859
Base-Backbone interact. energy: -0.028
local terms energy: -52.039833
where:
bonds (distance) C4'-P energy: -13.175
bonds (distance) P-C4' energy: -11.194
flat angles C4'-P-C4' energy: -10.461
flat angles P-C4'-P energy: -7.435
tors. eta vs tors. theta energy: -9.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -152.417530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.417530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.417530 (E_RNA)
where:
Base-Base interactions energy: -94.699
where: short stacking energy: -49.272
Base-Backbone interact. energy: 2.798
local terms energy: -60.516586
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -16.295
flat angles C4'-P-C4' energy: -12.957
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -8.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -105.603263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.603263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.603263 (E_RNA)
where:
Base-Base interactions energy: -49.338
where: short stacking energy: -27.120
Base-Backbone interact. energy: -0.293
local terms energy: -55.972283
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -13.978
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: -2.586
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: 8, replica: 1
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -89.622760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.622760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.622760 (E_RNA)
where:
Base-Base interactions energy: -30.665
where: short stacking energy: -30.665
Base-Backbone interact. energy: 0.329
local terms energy: -59.287196
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -13.267
flat angles C4'-P-C4' energy: -13.565
flat angles P-C4'-P energy: -8.601
tors. eta vs tors. theta energy: -11.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -87.369299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.369299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.369299 (E_RNA)
where:
Base-Base interactions energy: -38.435
where: short stacking energy: -38.435
Base-Backbone interact. energy: -0.098
local terms energy: -48.835621
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -8.407
flat angles C4'-P-C4' energy: -13.321
flat angles P-C4'-P energy: -8.419
tors. eta vs tors. theta energy: -6.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -86.077428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.077428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.077428 (E_RNA)
where:
Base-Base interactions energy: -34.952
where: short stacking energy: -30.967
Base-Backbone interact. energy: -0.064
local terms energy: -51.060676
where:
bonds (distance) C4'-P energy: -8.849
bonds (distance) P-C4' energy: -12.182
flat angles C4'-P-C4' energy: -17.343
flat angles P-C4'-P energy: -10.079
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: 1, replica: 6
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -221.997287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.997287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.997287 (E_RNA)
where:
Base-Base interactions energy: -136.940
where: short stacking energy: -71.086
Base-Backbone interact. energy: 1.568
local terms energy: -86.626101
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -16.714
flat angles P-C4'-P energy: -13.204
tors. eta vs tors. theta energy: -23.146
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: 4
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -209.454846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.454846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.454846 (E_RNA)
where:
Base-Base interactions energy: -132.376
where: short stacking energy: -69.090
Base-Backbone interact. energy: -0.029
local terms energy: -77.050067
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -15.743
flat angles C4'-P-C4' energy: -12.915
flat angles P-C4'-P energy: -10.485
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: 3, replica: 10
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -217.312462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.312462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.312462 (E_RNA)
where:
Base-Base interactions energy: -139.346
where: short stacking energy: -70.018
Base-Backbone interact. energy: -0.145
local terms energy: -77.821990
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -16.690
flat angles P-C4'-P energy: -11.166
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: 2
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -202.828721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.828721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.828721 (E_RNA)
where:
Base-Base interactions energy: -134.095
where: short stacking energy: -71.503
Base-Backbone interact. energy: -0.006
local terms energy: -68.727964
where:
bonds (distance) C4'-P energy: -11.502
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -13.861
flat angles P-C4'-P energy: -9.911
tors. eta vs tors. theta energy: -18.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -131.328726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.328726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.328726 (E_RNA)
where:
Base-Base interactions energy: -71.168
where: short stacking energy: -41.465
Base-Backbone interact. energy: -0.148
local terms energy: -60.013061
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -14.877
flat angles P-C4'-P energy: -6.792
tors. eta vs tors. theta energy: -6.511
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: 8
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -124.942331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.942331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.942331 (E_RNA)
where:
Base-Base interactions energy: -69.727
where: short stacking energy: -33.316
Base-Backbone interact. energy: -0.144
local terms energy: -55.070852
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -11.067
flat angles C4'-P-C4' energy: -11.022
flat angles P-C4'-P energy: -12.074
tors. eta vs tors. theta energy: -7.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -87.352076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.352076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.352076 (E_RNA)
where:
Base-Base interactions energy: -31.866
where: short stacking energy: -26.813
Base-Backbone interact. energy: -0.026
local terms energy: -55.460077
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -15.064
flat angles P-C4'-P energy: -6.993
tors. eta vs tors. theta energy: -3.778
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: 7
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -89.663374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.663374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.663374 (E_RNA)
where:
Base-Base interactions energy: -42.332
where: short stacking energy: -42.332
Base-Backbone interact. energy: -0.099
local terms energy: -47.232066
where:
bonds (distance) C4'-P energy: -10.207
bonds (distance) P-C4' energy: -13.412
flat angles C4'-P-C4' energy: -7.972
flat angles P-C4'-P energy: -8.635
tors. eta vs tors. theta energy: -7.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -75.299079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.299079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.299079 (E_RNA)
where:
Base-Base interactions energy: -31.649
where: short stacking energy: -31.649
Base-Backbone interact. energy: -0.113
local terms energy: -43.537209
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -9.986
flat angles C4'-P-C4' energy: -8.080
flat angles P-C4'-P energy: -10.872
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: 10, replica: 5
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -81.161466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.161466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.161466 (E_RNA)
where:
Base-Base interactions energy: -28.284
where: short stacking energy: -26.572
Base-Backbone interact. energy: -0.192
local terms energy: -52.685837
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -6.888
flat angles P-C4'-P energy: -7.139
tors. eta vs tors. theta energy: -8.197
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: 6
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -225.648882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.648882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.648882 (E_RNA)
where:
Base-Base interactions energy: -142.283
where: short stacking energy: -77.007
Base-Backbone interact. energy: -0.039
local terms energy: -83.326005
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -16.109
flat angles C4'-P-C4' energy: -16.225
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -25.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -216.889162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.889162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.889162 (E_RNA)
where:
Base-Base interactions energy: -142.689
where: short stacking energy: -72.265
Base-Backbone interact. energy: 1.462
local terms energy: -75.663016
where:
bonds (distance) C4'-P energy: -9.096
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -17.473
flat angles P-C4'-P energy: -12.384
tors. eta vs tors. theta energy: -19.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -209.915009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.915009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.915009 (E_RNA)
where:
Base-Base interactions energy: -135.644
where: short stacking energy: -67.809
Base-Backbone interact. energy: -0.021
local terms energy: -74.249812
where:
bonds (distance) C4'-P energy: -12.063
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -14.870
flat angles P-C4'-P energy: -12.605
tors. eta vs tors. theta energy: -20.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -144.171687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.171687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.171687 (E_RNA)
where:
Base-Base interactions energy: -83.841
where: short stacking energy: -43.378
Base-Backbone interact. energy: -0.008
local terms energy: -60.322898
where:
bonds (distance) C4'-P energy: -17.534
bonds (distance) P-C4' energy: -10.283
flat angles C4'-P-C4' energy: -12.650
flat angles P-C4'-P energy: -7.211
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: 5, replica: 2
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -199.318582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.318582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.318582 (E_RNA)
where:
Base-Base interactions energy: -134.574
where: short stacking energy: -63.564
Base-Backbone interact. energy: 0.573
local terms energy: -65.317561
where:
bonds (distance) C4'-P energy: -9.883
bonds (distance) P-C4' energy: -12.400
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: -8.123
tors. eta vs tors. theta energy: -21.185
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: 305
Temperature: 1.150000
Total energy: -137.383755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.383755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.383755 (E_RNA)
where:
Base-Base interactions energy: -77.820
where: short stacking energy: -46.029
Base-Backbone interact. energy: 0.476
local terms energy: -60.040018
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -16.910
flat angles C4'-P-C4' energy: -10.321
flat angles P-C4'-P energy: -7.858
tors. eta vs tors. theta energy: -10.658
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: 7, replica: 1
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -90.903750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.903750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.903750 (E_RNA)
where:
Base-Base interactions energy: -33.653
where: short stacking energy: -33.653
Base-Backbone interact. energy: -0.506
local terms energy: -56.744841
where:
bonds (distance) C4'-P energy: -5.137
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -14.047
flat angles P-C4'-P energy: -12.458
tors. eta vs tors. theta energy: -8.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -87.928909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.928909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.928909 (E_RNA)
where:
Base-Base interactions energy: -38.966
where: short stacking energy: -36.100
Base-Backbone interact. energy: 0.548
local terms energy: -49.510787
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -12.623
flat angles P-C4'-P energy: -5.451
tors. eta vs tors. theta energy: -5.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -76.949566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.949566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.949566 (E_RNA)
where:
Base-Base interactions energy: -28.056
where: short stacking energy: -28.056
Base-Backbone interact. energy: -0.141
local terms energy: -48.752578
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -12.175
flat angles C4'-P-C4' energy: -12.589
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: -2.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -77.899877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.899877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.899877 (E_RNA)
where:
Base-Base interactions energy: -28.915
where: short stacking energy: -28.683
Base-Backbone interact. energy: -0.253
local terms energy: -48.732588
where:
bonds (distance) C4'-P energy: -10.973
bonds (distance) P-C4' energy: -15.495
flat angles C4'-P-C4' energy: -10.445
flat angles P-C4'-P energy: -7.960
tors. eta vs tors. theta energy: -3.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -223.002332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.002332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.002332 (E_RNA)
where:
Base-Base interactions energy: -147.419
where: short stacking energy: -64.742
Base-Backbone interact. energy: -0.037
local terms energy: -75.546285
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -15.585
flat angles C4'-P-C4' energy: -16.779
flat angles P-C4'-P energy: -10.726
tors. eta vs tors. theta energy: -16.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -218.673700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.673700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.673700 (E_RNA)
where:
Base-Base interactions energy: -136.560
where: short stacking energy: -66.907
Base-Backbone interact. energy: -0.012
local terms energy: -82.101966
where:
bonds (distance) C4'-P energy: -17.224
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -14.643
flat angles P-C4'-P energy: -11.741
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: 3, replica: 4
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -218.113026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.113026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.113026 (E_RNA)
where:
Base-Base interactions energy: -145.387
where: short stacking energy: -69.421
Base-Backbone interact. energy: -0.508
local terms energy: -72.218402
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -11.077
flat angles C4'-P-C4' energy: -14.686
flat angles P-C4'-P energy: -11.293
tors. eta vs tors. theta energy: -20.668
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: 9
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -187.082982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.082982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.082982 (E_RNA)
where:
Base-Base interactions energy: -119.775
where: short stacking energy: -62.002
Base-Backbone interact. energy: 0.371
local terms energy: -67.679157
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -17.883
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -13.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -203.095123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.095123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.095123 (E_RNA)
where:
Base-Base interactions energy: -129.319
where: short stacking energy: -59.973
Base-Backbone interact. energy: 0.364
local terms energy: -74.139912
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -12.435
flat angles P-C4'-P energy: -10.479
tors. eta vs tors. theta energy: -21.046
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: 8
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -127.720337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.720337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.720337 (E_RNA)
where:
Base-Base interactions energy: -73.511
where: short stacking energy: -42.907
Base-Backbone interact. energy: 1.034
local terms energy: -55.243001
where:
bonds (distance) C4'-P energy: -8.817
bonds (distance) P-C4' energy: -16.039
flat angles C4'-P-C4' energy: -11.138
flat angles P-C4'-P energy: -10.564
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: 7, replica: 1
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -90.369799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.369799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.369799 (E_RNA)
where:
Base-Base interactions energy: -41.573
where: short stacking energy: -23.535
Base-Backbone interact. energy: -0.304
local terms energy: -48.493489
where:
bonds (distance) C4'-P energy: -12.698
bonds (distance) P-C4' energy: -14.978
flat angles C4'-P-C4' energy: -10.488
flat angles P-C4'-P energy: -9.297
tors. eta vs tors. theta energy: -1.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -88.048588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.048588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.048588 (E_RNA)
where:
Base-Base interactions energy: -32.236
where: short stacking energy: -32.236
Base-Backbone interact. energy: -0.014
local terms energy: -55.798362
where:
bonds (distance) C4'-P energy: -14.516
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -10.550
flat angles P-C4'-P energy: -8.516
tors. eta vs tors. theta energy: -5.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -83.917577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.917577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.917577 (E_RNA)
where:
Base-Base interactions energy: -26.887
where: short stacking energy: -26.743
Base-Backbone interact. energy: -0.143
local terms energy: -56.888303
where:
bonds (distance) C4'-P energy: -15.327
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -11.103
flat angles P-C4'-P energy: -14.396
tors. eta vs tors. theta energy: -1.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -91.015213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.015213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.015213 (E_RNA)
where:
Base-Base interactions energy: -36.694
where: short stacking energy: -35.006
Base-Backbone interact. energy: -0.186
local terms energy: -54.135434
where:
bonds (distance) C4'-P energy: -17.522
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -11.357
flat angles P-C4'-P energy: -9.886
tors. eta vs tors. theta energy: -2.761
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: 307
Temperature: 0.900000
Total energy: -217.198960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.198960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.198960 (E_RNA)
where:
Base-Base interactions energy: -142.591
where: short stacking energy: -61.655
Base-Backbone interact. energy: -1.046
local terms energy: -73.562398
where:
bonds (distance) C4'-P energy: -11.660
bonds (distance) P-C4' energy: -17.143
flat angles C4'-P-C4' energy: -16.460
flat angles P-C4'-P energy: -12.974
tors. eta vs tors. theta energy: -15.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -212.903241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.903241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.903241 (E_RNA)
where:
Base-Base interactions energy: -138.531
where: short stacking energy: -71.433
Base-Backbone interact. energy: -0.017
local terms energy: -74.355280
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -14.988
flat angles P-C4'-P energy: -9.775
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: 3, replica: 6
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -212.768277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.768277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.768277 (E_RNA)
where:
Base-Base interactions energy: -135.926
where: short stacking energy: -66.994
Base-Backbone interact. energy: -0.088
local terms energy: -76.754196
where:
bonds (distance) C4'-P energy: -17.398
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -14.520
tors. eta vs tors. theta energy: -14.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -194.679239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.679239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.679239 (E_RNA)
where:
Base-Base interactions energy: -125.916
where: short stacking energy: -61.762
Base-Backbone interact. energy: -0.002
local terms energy: -68.761711
where:
bonds (distance) C4'-P energy: -13.587
bonds (distance) P-C4' energy: -14.431
flat angles C4'-P-C4' energy: -16.473
flat angles P-C4'-P energy: -7.318
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: 5, replica: 9
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -178.228833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.228833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.228833 (E_RNA)
where:
Base-Base interactions energy: -121.639
where: short stacking energy: -58.737
Base-Backbone interact. energy: -0.003
local terms energy: -56.587141
where:
bonds (distance) C4'-P energy: -6.656
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -13.384
flat angles P-C4'-P energy: -7.180
tors. eta vs tors. theta energy: -13.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -92.701076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.701076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.701076 (E_RNA)
where:
Base-Base interactions energy: -44.660
where: short stacking energy: -27.395
Base-Backbone interact. energy: -0.179
local terms energy: -47.861245
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -14.118
flat angles C4'-P-C4' energy: -15.010
flat angles P-C4'-P energy: -5.623
tors. eta vs tors. theta energy: -0.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -125.973319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.973319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.973319 (E_RNA)
where:
Base-Base interactions energy: -69.495
where: short stacking energy: -33.575
Base-Backbone interact. energy: -0.305
local terms energy: -56.173329
where:
bonds (distance) C4'-P energy: -12.491
bonds (distance) P-C4' energy: -13.117
flat angles C4'-P-C4' energy: -15.335
flat angles P-C4'-P energy: -9.225
tors. eta vs tors. theta energy: -6.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -75.732014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.732014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.732014 (E_RNA)
where:
Base-Base interactions energy: -25.148
where: short stacking energy: -25.148
Base-Backbone interact. energy: 0.788
local terms energy: -51.371735
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -17.177
flat angles C4'-P-C4' energy: -12.111
flat angles P-C4'-P energy: -3.633
tors. eta vs tors. theta energy: -3.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -76.850057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.850057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.850057 (E_RNA)
where:
Base-Base interactions energy: -25.313
where: short stacking energy: -21.435
Base-Backbone interact. energy: -0.880
local terms energy: -50.657584
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -16.567
flat angles C4'-P-C4' energy: -12.651
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: 1.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -82.641227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.641227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.641227 (E_RNA)
where:
Base-Base interactions energy: -32.984
where: short stacking energy: -28.521
Base-Backbone interact. energy: -0.001
local terms energy: -49.655796
where:
bonds (distance) C4'-P energy: -10.447
bonds (distance) P-C4' energy: -13.731
flat angles C4'-P-C4' energy: -12.043
flat angles P-C4'-P energy: -8.841
tors. eta vs tors. theta energy: -4.593
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: 1, replica: 4
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -219.803415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.803415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.803415 (E_RNA)
where:
Base-Base interactions energy: -139.929
where: short stacking energy: -73.499
Base-Backbone interact. energy: -0.045
local terms energy: -79.829287
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -17.221
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -11.439
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: 10
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -211.096980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.096980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.096980 (E_RNA)
where:
Base-Base interactions energy: -137.670
where: short stacking energy: -63.603
Base-Backbone interact. energy: -0.105
local terms energy: -73.321416
where:
bonds (distance) C4'-P energy: -13.522
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -17.352
flat angles P-C4'-P energy: -13.030
tors. eta vs tors. theta energy: -11.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -215.800769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.800769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.800769 (E_RNA)
where:
Base-Base interactions energy: -135.603
where: short stacking energy: -72.380
Base-Backbone interact. energy: -0.004
local terms energy: -80.194095
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -17.303
flat angles P-C4'-P energy: -13.508
tors. eta vs tors. theta energy: -18.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -198.487887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.487887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.487887 (E_RNA)
where:
Base-Base interactions energy: -129.107
where: short stacking energy: -51.870
Base-Backbone interact. energy: -0.311
local terms energy: -69.069463
where:
bonds (distance) C4'-P energy: -16.984
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -12.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -201.870927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.870927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.870927 (E_RNA)
where:
Base-Base interactions energy: -127.326
where: short stacking energy: -60.367
Base-Backbone interact. energy: -0.095
local terms energy: -74.450162
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -12.996
flat angles C4'-P-C4' energy: -14.549
flat angles P-C4'-P energy: -11.667
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: 6, replica: 1
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -101.114024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.114024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.114024 (E_RNA)
where:
Base-Base interactions energy: -48.353
where: short stacking energy: -38.192
Base-Backbone interact. energy: -0.689
local terms energy: -52.072627
where:
bonds (distance) C4'-P energy: -11.732
bonds (distance) P-C4' energy: -14.599
flat angles C4'-P-C4' energy: -10.007
flat angles P-C4'-P energy: -7.141
tors. eta vs tors. theta energy: -8.594
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: 8
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -137.060864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.060864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.060864 (E_RNA)
where:
Base-Base interactions energy: -77.098
where: short stacking energy: -41.177
Base-Backbone interact. energy: -0.019
local terms energy: -59.942975
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -16.458
flat angles C4'-P-C4' energy: -14.200
flat angles P-C4'-P energy: -7.654
tors. eta vs tors. theta energy: -9.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -79.567588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.567588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.567588 (E_RNA)
where:
Base-Base interactions energy: -25.638
where: short stacking energy: -25.638
Base-Backbone interact. energy: -0.096
local terms energy: -53.833880
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -10.360
flat angles C4'-P-C4' energy: -14.926
flat angles P-C4'-P energy: -9.694
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: 9, replica: 7
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -84.207526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.207526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.207526 (E_RNA)
where:
Base-Base interactions energy: -33.754
where: short stacking energy: -33.754
Base-Backbone interact. energy: -0.036
local terms energy: -50.417819
where:
bonds (distance) C4'-P energy: -11.284
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -12.785
flat angles P-C4'-P energy: -3.840
tors. eta vs tors. theta energy: -8.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -82.006936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.006936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.006936 (E_RNA)
where:
Base-Base interactions energy: -29.261
where: short stacking energy: -25.366
Base-Backbone interact. energy: -0.288
local terms energy: -52.457915
where:
bonds (distance) C4'-P energy: -14.921
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -8.246
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: -2.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -218.537505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.537505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.537505 (E_RNA)
where:
Base-Base interactions energy: -131.190
where: short stacking energy: -71.009
Base-Backbone interact. energy: -1.327
local terms energy: -86.020377
where:
bonds (distance) C4'-P energy: -18.325
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -15.789
flat angles P-C4'-P energy: -13.422
tors. eta vs tors. theta energy: -22.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -215.857927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.857927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.857927 (E_RNA)
where:
Base-Base interactions energy: -144.596
where: short stacking energy: -62.156
Base-Backbone interact. energy: -0.832
local terms energy: -70.430258
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -16.535
flat angles C4'-P-C4' energy: -16.712
flat angles P-C4'-P energy: -8.416
tors. eta vs tors. theta energy: -14.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -211.772656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.772656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.772656 (E_RNA)
where:
Base-Base interactions energy: -135.676
where: short stacking energy: -66.762
Base-Backbone interact. energy: -0.077
local terms energy: -76.020031
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -16.877
flat angles P-C4'-P energy: -13.719
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: 4, replica: 6
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -195.507782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.507782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.507782 (E_RNA)
where:
Base-Base interactions energy: -130.078
where: short stacking energy: -53.257
Base-Backbone interact. energy: 1.500
local terms energy: -66.930175
where:
bonds (distance) C4'-P energy: -10.936
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -10.889
tors. eta vs tors. theta energy: -13.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -184.884250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.884250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.884250 (E_RNA)
where:
Base-Base interactions energy: -118.192
where: short stacking energy: -56.216
Base-Backbone interact. energy: -0.425
local terms energy: -66.267940
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -10.411
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -10.852
tors. eta vs tors. theta energy: -16.396
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: 8
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -167.572895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.572895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.572895 (E_RNA)
where:
Base-Base interactions energy: -103.020
where: short stacking energy: -47.668
Base-Backbone interact. energy: 0.250
local terms energy: -64.802214
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -12.302
flat angles P-C4'-P energy: -8.850
tors. eta vs tors. theta energy: -13.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -87.495645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.495645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.495645 (E_RNA)
where:
Base-Base interactions energy: -39.529
where: short stacking energy: -27.394
Base-Backbone interact. energy: -0.052
local terms energy: -47.914808
where:
bonds (distance) C4'-P energy: -13.534
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -10.737
flat angles P-C4'-P energy: -7.430
tors. eta vs tors. theta energy: -0.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -83.461327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.461327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.461327 (E_RNA)
where:
Base-Base interactions energy: -30.075
where: short stacking energy: -30.075
Base-Backbone interact. energy: -0.156
local terms energy: -53.230434
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -13.584
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -10.994
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: 7
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -79.106408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.106408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.106408 (E_RNA)
where:
Base-Base interactions energy: -37.724
where: short stacking energy: -37.724
Base-Backbone interact. energy: 0.371
local terms energy: -41.753339
where:
bonds (distance) C4'-P energy: -9.722
bonds (distance) P-C4' energy: -6.939
flat angles C4'-P-C4' energy: -13.274
flat angles P-C4'-P energy: -6.631
tors. eta vs tors. theta energy: -5.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -83.410354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.410354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.410354 (E_RNA)
where:
Base-Base interactions energy: -37.727
where: short stacking energy: -25.531
Base-Backbone interact. energy: -0.144
local terms energy: -45.539817
where:
bonds (distance) C4'-P energy: -10.001
bonds (distance) P-C4' energy: -11.667
flat angles C4'-P-C4' energy: -11.901
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -2.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -221.483345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.483345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.483345 (E_RNA)
where:
Base-Base interactions energy: -139.738
where: short stacking energy: -75.154
Base-Backbone interact. energy: -0.404
local terms energy: -81.342191
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -16.013
flat angles P-C4'-P energy: -12.117
tors. eta vs tors. theta energy: -22.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -216.947887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.947887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.947887 (E_RNA)
where:
Base-Base interactions energy: -136.038
where: short stacking energy: -70.242
Base-Backbone interact. energy: -0.352
local terms energy: -80.557765
where:
bonds (distance) C4'-P energy: -15.859
bonds (distance) P-C4' energy: -15.183
flat angles C4'-P-C4' energy: -16.983
flat angles P-C4'-P energy: -13.227
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: 3, replica: 6
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -205.960252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.960252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.960252 (E_RNA)
where:
Base-Base interactions energy: -127.023
where: short stacking energy: -65.130
Base-Backbone interact. energy: -0.004
local terms energy: -78.933100
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -12.919
flat angles P-C4'-P energy: -13.008
tors. eta vs tors. theta energy: -22.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -212.721334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.721334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.721334 (E_RNA)
where:
Base-Base interactions energy: -144.696
where: short stacking energy: -60.685
Base-Backbone interact. energy: -0.630
local terms energy: -67.394958
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -12.805
flat angles C4'-P-C4' energy: -13.545
flat angles P-C4'-P energy: -9.188
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: 5, replica: 8
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -191.879135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.879135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.879135 (E_RNA)
where:
Base-Base interactions energy: -122.157
where: short stacking energy: -61.010
Base-Backbone interact. energy: -0.191
local terms energy: -69.531714
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -8.204
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: 9
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -178.677147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.677147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.677147 (E_RNA)
where:
Base-Base interactions energy: -117.222
where: short stacking energy: -52.406
Base-Backbone interact. energy: -0.307
local terms energy: -61.147265
where:
bonds (distance) C4'-P energy: -9.520
bonds (distance) P-C4' energy: -13.569
flat angles C4'-P-C4' energy: -14.844
flat angles P-C4'-P energy: -9.008
tors. eta vs tors. theta energy: -14.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -89.347686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.347686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.347686 (E_RNA)
where:
Base-Base interactions energy: -31.318
where: short stacking energy: -26.361
Base-Backbone interact. energy: -0.268
local terms energy: -57.762009
where:
bonds (distance) C4'-P energy: -14.083
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -15.149
flat angles P-C4'-P energy: -4.756
tors. eta vs tors. theta energy: -5.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -85.356812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.356812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.356812 (E_RNA)
where:
Base-Base interactions energy: -36.221
where: short stacking energy: -28.451
Base-Backbone interact. energy: -0.738
local terms energy: -48.397641
where:
bonds (distance) C4'-P energy: -8.361
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -15.906
flat angles P-C4'-P energy: -4.486
tors. eta vs tors. theta energy: -5.107
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: 3
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -83.972195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.972195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.972195 (E_RNA)
where:
Base-Base interactions energy: -31.419
where: short stacking energy: -27.470
Base-Backbone interact. energy: -0.235
local terms energy: -52.318483
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -11.224
flat angles C4'-P-C4' energy: -13.325
flat angles P-C4'-P energy: -8.331
tors. eta vs tors. theta energy: -6.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -69.545597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.545597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.545597 (E_RNA)
where:
Base-Base interactions energy: -22.246
where: short stacking energy: -22.246
Base-Backbone interact. energy: -0.058
local terms energy: -47.241357
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -13.242
flat angles C4'-P-C4' energy: -10.234
flat angles P-C4'-P energy: -11.377
tors. eta vs tors. theta energy: 0.832
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: 10
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -216.851761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.851761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.851761 (E_RNA)
where:
Base-Base interactions energy: -137.033
where: short stacking energy: -70.082
Base-Backbone interact. energy: 0.200
local terms energy: -80.018594
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -17.849
flat angles C4'-P-C4' energy: -16.950
flat angles P-C4'-P energy: -8.850
tors. eta vs tors. theta energy: -23.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -218.985366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.985366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.985366 (E_RNA)
where:
Base-Base interactions energy: -143.122
where: short stacking energy: -77.022
Base-Backbone interact. energy: -0.470
local terms energy: -75.393121
where:
bonds (distance) C4'-P energy: -13.632
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -17.050
flat angles P-C4'-P energy: -9.469
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: 3, replica: 6
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -187.486928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.486928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.486928 (E_RNA)
where:
Base-Base interactions energy: -116.437
where: short stacking energy: -56.106
Base-Backbone interact. energy: -0.111
local terms energy: -70.938194
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -14.345
flat angles P-C4'-P energy: -7.621
tors. eta vs tors. theta energy: -15.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -194.579057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.579057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.579057 (E_RNA)
where:
Base-Base interactions energy: -123.876
where: short stacking energy: -63.462
Base-Backbone interact. energy: -0.066
local terms energy: -70.637371
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -15.430
flat angles P-C4'-P energy: -5.573
tors. eta vs tors. theta energy: -18.128
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: 2
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -199.343223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.343223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.343223 (E_RNA)
where:
Base-Base interactions energy: -129.658
where: short stacking energy: -66.474
Base-Backbone interact. energy: 3.962
local terms energy: -73.647259
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -10.974
flat angles C4'-P-C4' energy: -15.914
flat angles P-C4'-P energy: -11.217
tors. eta vs tors. theta energy: -20.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -148.580704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.580704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.580704 (E_RNA)
where:
Base-Base interactions energy: -93.446
where: short stacking energy: -47.002
Base-Backbone interact. energy: -1.131
local terms energy: -54.004354
where:
bonds (distance) C4'-P energy: -14.128
bonds (distance) P-C4' energy: -8.374
flat angles C4'-P-C4' energy: -11.940
flat angles P-C4'-P energy: -7.958
tors. eta vs tors. theta energy: -11.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -85.183306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.183306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.183306 (E_RNA)
where:
Base-Base interactions energy: -29.789
where: short stacking energy: -21.549
Base-Backbone interact. energy: -0.834
local terms energy: -54.560316
where:
bonds (distance) C4'-P energy: -12.035
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -11.787
flat angles P-C4'-P energy: -11.036
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: 8, replica: 3
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -77.929966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.929966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.929966 (E_RNA)
where:
Base-Base interactions energy: -29.880
where: short stacking energy: -29.880
Base-Backbone interact. energy: 0.980
local terms energy: -49.029398
where:
bonds (distance) C4'-P energy: -11.312
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -15.411
flat angles P-C4'-P energy: -8.038
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: 9, replica: 5
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -75.107164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.107164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.107164 (E_RNA)
where:
Base-Base interactions energy: -40.097
where: short stacking energy: -31.049
Base-Backbone interact. energy: 0.707
local terms energy: -35.717385
where:
bonds (distance) C4'-P energy: -13.121
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -3.595
flat angles P-C4'-P energy: -2.995
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: 10, replica: 7
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -75.632370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.632370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.632370 (E_RNA)
where:
Base-Base interactions energy: -32.702
where: short stacking energy: -20.097
Base-Backbone interact. energy: -0.099
local terms energy: -42.831025
where:
bonds (distance) C4'-P energy: -14.387
bonds (distance) P-C4' energy: -12.894
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -4.206
tors. eta vs tors. theta energy: 2.308
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: 10
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -219.857583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.857583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.857583 (E_RNA)
where:
Base-Base interactions energy: -145.945
where: short stacking energy: -69.588
Base-Backbone interact. energy: -0.023
local terms energy: -73.889995
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -15.559
flat angles C4'-P-C4' energy: -17.180
flat angles P-C4'-P energy: -9.239
tors. eta vs tors. theta energy: -17.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -212.907850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.907850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.907850 (E_RNA)
where:
Base-Base interactions energy: -138.108
where: short stacking energy: -70.688
Base-Backbone interact. energy: -0.015
local terms energy: -74.785333
where:
bonds (distance) C4'-P energy: -11.990
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -14.176
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -21.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -201.230841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.230841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.230841 (E_RNA)
where:
Base-Base interactions energy: -124.312
where: short stacking energy: -62.830
Base-Backbone interact. energy: -0.025
local terms energy: -76.893747
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -15.837
flat angles C4'-P-C4' energy: -17.556
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -19.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -210.667554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.667554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.667554 (E_RNA)
where:
Base-Base interactions energy: -134.163
where: short stacking energy: -70.639
Base-Backbone interact. energy: -0.020
local terms energy: -76.484651
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -15.980
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -21.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -190.359882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.359882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.359882 (E_RNA)
where:
Base-Base interactions energy: -122.899
where: short stacking energy: -58.164
Base-Backbone interact. energy: -0.020
local terms energy: -67.440225
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -11.774
flat angles C4'-P-C4' energy: -17.131
flat angles P-C4'-P energy: -7.787
tors. eta vs tors. theta energy: -18.645
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: 6, replica: 9
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -139.784048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.784048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.784048 (E_RNA)
where:
Base-Base interactions energy: -83.242
where: short stacking energy: -40.968
Base-Backbone interact. energy: 0.683
local terms energy: -57.225137
where:
bonds (distance) C4'-P energy: -14.071
bonds (distance) P-C4' energy: -13.450
flat angles C4'-P-C4' energy: -15.331
flat angles P-C4'-P energy: -7.247
tors. eta vs tors. theta energy: -7.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -85.276117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.276117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.276117 (E_RNA)
where:
Base-Base interactions energy: -30.948
where: short stacking energy: -17.305
Base-Backbone interact. energy: 1.432
local terms energy: -55.759720
where:
bonds (distance) C4'-P energy: -16.751
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -10.694
flat angles P-C4'-P energy: -12.976
tors. eta vs tors. theta energy: -2.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -94.293590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.293590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.293590 (E_RNA)
where:
Base-Base interactions energy: -36.723
where: short stacking energy: -27.148
Base-Backbone interact. energy: -0.232
local terms energy: -57.338650
where:
bonds (distance) C4'-P energy: -15.075
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -12.864
flat angles P-C4'-P energy: -8.405
tors. eta vs tors. theta energy: -2.563
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: 7
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -91.951892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.951892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.951892 (E_RNA)
where:
Base-Base interactions energy: -47.114
where: short stacking energy: -15.744
Base-Backbone interact. energy: -0.247
local terms energy: -44.590781
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -15.865
flat angles C4'-P-C4' energy: -9.314
flat angles P-C4'-P energy: -7.446
tors. eta vs tors. theta energy: 1.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -76.748533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.748533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.748533 (E_RNA)
where:
Base-Base interactions energy: -29.563
where: short stacking energy: -29.563
Base-Backbone interact. energy: 0.039
local terms energy: -47.224409
where:
bonds (distance) C4'-P energy: -11.153
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -10.044
flat angles P-C4'-P energy: -8.113
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: 1, replica: 10
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -220.266144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.266144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.266144 (E_RNA)
where:
Base-Base interactions energy: -140.014
where: short stacking energy: -78.702
Base-Backbone interact. energy: -0.002
local terms energy: -80.250609
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -15.951
flat angles P-C4'-P energy: -13.316
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: 2, replica: 4
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -217.644769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.644769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.644769 (E_RNA)
where:
Base-Base interactions energy: -146.320
where: short stacking energy: -75.482
Base-Backbone interact. energy: -0.029
local terms energy: -71.295883
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -15.869
flat angles P-C4'-P energy: -10.613
tors. eta vs tors. theta energy: -17.197
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: 8
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -200.329061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.329061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.329061 (E_RNA)
where:
Base-Base interactions energy: -129.255
where: short stacking energy: -66.226
Base-Backbone interact. energy: -1.423
local terms energy: -69.650748
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -17.586
flat angles P-C4'-P energy: -9.554
tors. eta vs tors. theta energy: -16.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -203.900119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.900119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.900119 (E_RNA)
where:
Base-Base interactions energy: -139.412
where: short stacking energy: -67.063
Base-Backbone interact. energy: -0.035
local terms energy: -64.453075
where:
bonds (distance) C4'-P energy: -10.066
bonds (distance) P-C4' energy: -11.894
flat angles C4'-P-C4' energy: -14.995
flat angles P-C4'-P energy: -6.378
tors. eta vs tors. theta energy: -21.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -198.765652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.765652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.765652 (E_RNA)
where:
Base-Base interactions energy: -134.086
where: short stacking energy: -50.939
Base-Backbone interact. energy: -0.648
local terms energy: -64.031320
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -12.418
flat angles C4'-P-C4' energy: -12.410
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -13.680
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: 9
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -132.929898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.929898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.929898 (E_RNA)
where:
Base-Base interactions energy: -70.570
where: short stacking energy: -41.671
Base-Backbone interact. energy: -0.010
local terms energy: -62.350057
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -12.069
flat angles P-C4'-P energy: -12.799
tors. eta vs tors. theta energy: -8.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -88.033548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.033548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.033548 (E_RNA)
where:
Base-Base interactions energy: -37.503
where: short stacking energy: -28.250
Base-Backbone interact. energy: -0.140
local terms energy: -50.390326
where:
bonds (distance) C4'-P energy: -12.024
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -13.585
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: 1.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -93.984042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.984042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.984042 (E_RNA)
where:
Base-Base interactions energy: -48.515
where: short stacking energy: -40.694
Base-Backbone interact. energy: -0.263
local terms energy: -45.205863
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -12.552
flat angles C4'-P-C4' energy: -7.887
flat angles P-C4'-P energy: -2.720
tors. eta vs tors. theta energy: -9.542
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: 3
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -80.461183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.461183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.461183 (E_RNA)
where:
Base-Base interactions energy: -29.860
where: short stacking energy: -28.572
Base-Backbone interact. energy: -0.051
local terms energy: -50.550631
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -8.033
flat angles P-C4'-P energy: -8.118
tors. eta vs tors. theta energy: -6.401
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: 5
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -85.941661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.941661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.941661 (E_RNA)
where:
Base-Base interactions energy: -34.428
where: short stacking energy: -21.940
Base-Backbone interact. energy: 0.355
local terms energy: -51.868104
where:
bonds (distance) C4'-P energy: -11.556
bonds (distance) P-C4' energy: -13.262
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -11.622
tors. eta vs tors. theta energy: -2.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -223.190229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.190229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.190229 (E_RNA)
where:
Base-Base interactions energy: -141.492
where: short stacking energy: -82.260
Base-Backbone interact. energy: -0.026
local terms energy: -81.671854
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -14.163
flat angles P-C4'-P energy: -11.428
tors. eta vs tors. theta energy: -23.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -215.742134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.742134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.742134 (E_RNA)
where:
Base-Base interactions energy: -139.497
where: short stacking energy: -69.076
Base-Backbone interact. energy: -0.013
local terms energy: -76.231435
where:
bonds (distance) C4'-P energy: -14.903
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -9.277
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: 2
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -210.485097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.485097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.485097 (E_RNA)
where:
Base-Base interactions energy: -142.567
where: short stacking energy: -61.439
Base-Backbone interact. energy: -0.098
local terms energy: -67.819913
where:
bonds (distance) C4'-P energy: -12.315
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -12.502
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: -19.413
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: 8
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -210.475003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.475003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.475003 (E_RNA)
where:
Base-Base interactions energy: -134.393
where: short stacking energy: -67.128
Base-Backbone interact. energy: -1.838
local terms energy: -74.243763
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -14.390
flat angles P-C4'-P energy: -11.919
tors. eta vs tors. theta energy: -16.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -203.051570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.051570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.051570 (E_RNA)
where:
Base-Base interactions energy: -132.329
where: short stacking energy: -67.905
Base-Backbone interact. energy: -0.002
local terms energy: -70.720733
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -14.126
flat angles C4'-P-C4' energy: -10.917
flat angles P-C4'-P energy: -12.992
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: 9
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -121.910573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.910573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.910573 (E_RNA)
where:
Base-Base interactions energy: -72.813
where: short stacking energy: -36.891
Base-Backbone interact. energy: -0.298
local terms energy: -48.799852
where:
bonds (distance) C4'-P energy: -12.252
bonds (distance) P-C4' energy: -11.887
flat angles C4'-P-C4' energy: -11.637
flat angles P-C4'-P energy: -9.482
tors. eta vs tors. theta energy: -3.542
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: 7
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -85.861778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.861778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.861778 (E_RNA)
where:
Base-Base interactions energy: -40.986
where: short stacking energy: -38.914
Base-Backbone interact. energy: -0.002
local terms energy: -44.873461
where:
bonds (distance) C4'-P energy: -10.286
bonds (distance) P-C4' energy: -15.380
flat angles C4'-P-C4' energy: -11.504
flat angles P-C4'-P energy: -5.337
tors. eta vs tors. theta energy: -2.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -84.830893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.830893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.830893 (E_RNA)
where:
Base-Base interactions energy: -32.480
where: short stacking energy: -25.303
Base-Backbone interact. energy: -0.074
local terms energy: -52.277561
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -6.717
tors. eta vs tors. theta energy: -2.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -84.680824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.680824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.680824 (E_RNA)
where:
Base-Base interactions energy: -37.027
where: short stacking energy: -29.155
Base-Backbone interact. energy: -0.062
local terms energy: -47.592001
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -12.941
flat angles P-C4'-P energy: -6.074
tors. eta vs tors. theta energy: -1.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -76.906913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.906913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.906913 (E_RNA)
where:
Base-Base interactions energy: -32.910
where: short stacking energy: -26.470
Base-Backbone interact. energy: -1.303
local terms energy: -42.693400
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -8.840
flat angles P-C4'-P energy: -2.425
tors. eta vs tors. theta energy: -3.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -223.377136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.377136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.377136 (E_RNA)
where:
Base-Base interactions energy: -143.446
where: short stacking energy: -68.907
Base-Backbone interact. energy: -0.014
local terms energy: -79.916755
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -14.453
flat angles P-C4'-P energy: -12.884
tors. eta vs tors. theta energy: -21.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -216.236129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.236129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.236129 (E_RNA)
where:
Base-Base interactions energy: -137.750
where: short stacking energy: -72.234
Base-Backbone interact. energy: -1.388
local terms energy: -77.097887
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -15.924
flat angles P-C4'-P energy: -14.196
tors. eta vs tors. theta energy: -20.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -217.126410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.126410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.126410 (E_RNA)
where:
Base-Base interactions energy: -141.741
where: short stacking energy: -73.983
Base-Backbone interact. energy: -0.886
local terms energy: -74.498976
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -11.703
flat angles C4'-P-C4' energy: -16.574
flat angles P-C4'-P energy: -9.213
tors. eta vs tors. theta energy: -20.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -208.629575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.629575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.629575 (E_RNA)
where:
Base-Base interactions energy: -137.004
where: short stacking energy: -67.874
Base-Backbone interact. energy: -0.013
local terms energy: -71.611932
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -10.073
flat angles C4'-P-C4' energy: -15.818
flat angles P-C4'-P energy: -11.302
tors. eta vs tors. theta energy: -20.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -202.581720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.581720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.581720 (E_RNA)
where:
Base-Base interactions energy: -134.811
where: short stacking energy: -73.115
Base-Backbone interact. energy: -0.389
local terms energy: -67.381029
where:
bonds (distance) C4'-P energy: -8.528
bonds (distance) P-C4' energy: -11.462
flat angles C4'-P-C4' energy: -18.173
flat angles P-C4'-P energy: -8.948
tors. eta vs tors. theta energy: -20.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -170.048852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.048852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.048852 (E_RNA)
where:
Base-Base interactions energy: -102.580
where: short stacking energy: -57.232
Base-Backbone interact. energy: -0.026
local terms energy: -67.442753
where:
bonds (distance) C4'-P energy: -12.289
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -12.535
flat angles P-C4'-P energy: -9.055
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: 7, replica: 7
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -97.407649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.407649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.407649 (E_RNA)
where:
Base-Base interactions energy: -48.960
where: short stacking energy: -29.343
Base-Backbone interact. energy: 0.554
local terms energy: -49.001414
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -13.830
flat angles P-C4'-P energy: -7.359
tors. eta vs tors. theta energy: 1.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -99.183063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.183063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.183063 (E_RNA)
where:
Base-Base interactions energy: -47.778
where: short stacking energy: -36.352
Base-Backbone interact. energy: -0.656
local terms energy: -50.748822
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -12.336
flat angles C4'-P-C4' energy: -13.051
flat angles P-C4'-P energy: -6.160
tors. eta vs tors. theta energy: -7.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -77.030747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.030747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.030747 (E_RNA)
where:
Base-Base interactions energy: -34.974
where: short stacking energy: -30.491
Base-Backbone interact. energy: -0.610
local terms energy: -41.446584
where:
bonds (distance) C4'-P energy: -8.740
bonds (distance) P-C4' energy: -12.157
flat angles C4'-P-C4' energy: -11.719
flat angles P-C4'-P energy: -6.631
tors. eta vs tors. theta energy: -2.199
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: 10, replica: 5
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -87.257370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.257370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.257370 (E_RNA)
where:
Base-Base interactions energy: -42.022
where: short stacking energy: -34.326
Base-Backbone interact. energy: -0.329
local terms energy: -44.906342
where:
bonds (distance) C4'-P energy: -9.408
bonds (distance) P-C4' energy: -10.332
flat angles C4'-P-C4' energy: -10.082
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: -4.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -223.414166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.414166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.414166 (E_RNA)
where:
Base-Base interactions energy: -147.448
where: short stacking energy: -70.842
Base-Backbone interact. energy: -0.004
local terms energy: -75.962643
where:
bonds (distance) C4'-P energy: -11.366
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -16.621
flat angles P-C4'-P energy: -10.638
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: 2, replica: 10
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -218.783749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.783749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.783749 (E_RNA)
where:
Base-Base interactions energy: -134.565
where: short stacking energy: -75.103
Base-Backbone interact. energy: -0.003
local terms energy: -84.215722
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -17.476
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -20.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -215.800406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.800406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.800406 (E_RNA)
where:
Base-Base interactions energy: -137.593
where: short stacking energy: -69.993
Base-Backbone interact. energy: 0.211
local terms energy: -78.418532
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -13.714
flat angles C4'-P-C4' energy: -16.237
flat angles P-C4'-P energy: -10.432
tors. eta vs tors. theta energy: -24.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -198.113701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.113701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.113701 (E_RNA)
where:
Base-Base interactions energy: -133.750
where: short stacking energy: -59.277
Base-Backbone interact. energy: -0.077
local terms energy: -64.286824
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -11.243
flat angles P-C4'-P energy: -9.106
tors. eta vs tors. theta energy: -14.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -197.920243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.920243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.920243 (E_RNA)
where:
Base-Base interactions energy: -125.690
where: short stacking energy: -66.086
Base-Backbone interact. energy: -0.008
local terms energy: -72.222586
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -15.559
flat angles C4'-P-C4' energy: -14.763
flat angles P-C4'-P energy: -11.446
tors. eta vs tors. theta energy: -17.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -201.257421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.257421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.257421 (E_RNA)
where:
Base-Base interactions energy: -126.622
where: short stacking energy: -65.739
Base-Backbone interact. energy: 1.115
local terms energy: -75.751319
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -17.278
flat angles P-C4'-P energy: -8.524
tors. eta vs tors. theta energy: -20.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -122.819537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.819537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.819537 (E_RNA)
where:
Base-Base interactions energy: -72.593
where: short stacking energy: -30.281
Base-Backbone interact. energy: 0.084
local terms energy: -50.310375
where:
bonds (distance) C4'-P energy: -8.507
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -11.440
flat angles P-C4'-P energy: -10.860
tors. eta vs tors. theta energy: -3.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -91.074943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.074943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.074943 (E_RNA)
where:
Base-Base interactions energy: -32.214
where: short stacking energy: -27.373
Base-Backbone interact. energy: -0.406
local terms energy: -58.454604
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -12.537
flat angles P-C4'-P energy: -8.980
tors. eta vs tors. theta energy: -5.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -85.589099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.589099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.589099 (E_RNA)
where:
Base-Base interactions energy: -29.446
where: short stacking energy: -29.446
Base-Backbone interact. energy: 0.421
local terms energy: -56.564025
where:
bonds (distance) C4'-P energy: -15.714
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -12.383
flat angles P-C4'-P energy: -9.292
tors. eta vs tors. theta energy: -4.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -74.674117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.674117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.674117 (E_RNA)
where:
Base-Base interactions energy: -22.001
where: short stacking energy: -19.968
Base-Backbone interact. energy: 1.239
local terms energy: -53.911815
where:
bonds (distance) C4'-P energy: -10.481
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -16.087
flat angles P-C4'-P energy: -8.742
tors. eta vs tors. theta energy: -1.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -222.394254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.394254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.394254 (E_RNA)
where:
Base-Base interactions energy: -146.462
where: short stacking energy: -71.671
Base-Backbone interact. energy: -0.724
local terms energy: -75.208125
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -14.218
flat angles C4'-P-C4' energy: -15.955
flat angles P-C4'-P energy: -12.385
tors. eta vs tors. theta energy: -18.120
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: 2, replica: 6
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -219.653672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.653672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.653672 (E_RNA)
where:
Base-Base interactions energy: -142.610
where: short stacking energy: -72.494
Base-Backbone interact. energy: -0.040
local terms energy: -77.002904
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -16.943
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -8.493
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: 3, replica: 10
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -214.199544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.199544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.199544 (E_RNA)
where:
Base-Base interactions energy: -138.475
where: short stacking energy: -70.918
Base-Backbone interact. energy: 1.318
local terms energy: -77.042680
where:
bonds (distance) C4'-P energy: -15.127
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -16.446
flat angles P-C4'-P energy: -11.229
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: 4, replica: 8
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -206.186732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.186732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.186732 (E_RNA)
where:
Base-Base interactions energy: -138.331
where: short stacking energy: -63.442
Base-Backbone interact. energy: -0.016
local terms energy: -67.840282
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -12.101
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -10.164
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: 5, replica: 2
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -199.913089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.913089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.913089 (E_RNA)
where:
Base-Base interactions energy: -130.244
where: short stacking energy: -64.135
Base-Backbone interact. energy: -0.417
local terms energy: -69.251461
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -11.081
flat angles C4'-P-C4' energy: -11.855
flat angles P-C4'-P energy: -11.465
tors. eta vs tors. theta energy: -20.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -184.339867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.339867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.339867 (E_RNA)
where:
Base-Base interactions energy: -115.569
where: short stacking energy: -63.362
Base-Backbone interact. energy: 0.051
local terms energy: -68.821876
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -13.886
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -7.284
tors. eta vs tors. theta energy: -19.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -84.573489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.573489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.573489 (E_RNA)
where:
Base-Base interactions energy: -39.538
where: short stacking energy: -27.325
Base-Backbone interact. energy: -0.119
local terms energy: -44.916239
where:
bonds (distance) C4'-P energy: -8.297
bonds (distance) P-C4' energy: -11.836
flat angles C4'-P-C4' energy: -12.280
flat angles P-C4'-P energy: -3.695
tors. eta vs tors. theta energy: -8.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -75.710704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.710704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.710704 (E_RNA)
where:
Base-Base interactions energy: -31.459
where: short stacking energy: -31.459
Base-Backbone interact. energy: 0.101
local terms energy: -44.352689
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -13.034
flat angles C4'-P-C4' energy: -13.729
flat angles P-C4'-P energy: -4.057
tors. eta vs tors. theta energy: -1.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -76.051662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.051662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.051662 (E_RNA)
where:
Base-Base interactions energy: -31.160
where: short stacking energy: -22.727
Base-Backbone interact. energy: -0.380
local terms energy: -44.511196
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -11.602
flat angles C4'-P-C4' energy: -12.088
flat angles P-C4'-P energy: -8.281
tors. eta vs tors. theta energy: 0.030
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: 1
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -76.641383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.641383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.641383 (E_RNA)
where:
Base-Base interactions energy: -28.011
where: short stacking energy: -28.011
Base-Backbone interact. energy: -0.163
local terms energy: -48.467481
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -15.134
flat angles C4'-P-C4' energy: -11.751
flat angles P-C4'-P energy: -8.062
tors. eta vs tors. theta energy: -0.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -224.270495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.270495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.270495 (E_RNA)
where:
Base-Base interactions energy: -143.016
where: short stacking energy: -76.510
Base-Backbone interact. energy: -0.439
local terms energy: -80.815020
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -13.392
flat angles C4'-P-C4' energy: -16.959
flat angles P-C4'-P energy: -14.148
tors. eta vs tors. theta energy: -23.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -220.543833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.543833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.543833 (E_RNA)
where:
Base-Base interactions energy: -139.286
where: short stacking energy: -68.852
Base-Backbone interact. energy: -0.997
local terms energy: -80.260506
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -18.912
flat angles C4'-P-C4' energy: -16.872
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: -20.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -218.158668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.158668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.158668 (E_RNA)
where:
Base-Base interactions energy: -141.634
where: short stacking energy: -69.171
Base-Backbone interact. energy: 0.393
local terms energy: -76.918521
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -17.611
flat angles P-C4'-P energy: -11.197
tors. eta vs tors. theta energy: -17.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -205.346417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.346417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.346417 (E_RNA)
where:
Base-Base interactions energy: -127.548
where: short stacking energy: -63.109
Base-Backbone interact. energy: -0.061
local terms energy: -77.737580
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -15.401
flat angles P-C4'-P energy: -13.682
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: 5, replica: 2
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -204.804029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.804029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.804029 (E_RNA)
where:
Base-Base interactions energy: -134.299
where: short stacking energy: -61.048
Base-Backbone interact. energy: -0.086
local terms energy: -70.419050
where:
bonds (distance) C4'-P energy: -9.750
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -15.218
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -18.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -182.449136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.449136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.449136 (E_RNA)
where:
Base-Base interactions energy: -117.857
where: short stacking energy: -57.614
Base-Backbone interact. energy: -0.105
local terms energy: -64.487010
where:
bonds (distance) C4'-P energy: -12.938
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -4.726
tors. eta vs tors. theta energy: -15.004
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: 7, replica: 5
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -109.068718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.068718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.068718 (E_RNA)
where:
Base-Base interactions energy: -54.262
where: short stacking energy: -49.340
Base-Backbone interact. energy: -0.107
local terms energy: -54.699323
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -13.567
flat angles C4'-P-C4' energy: -8.219
flat angles P-C4'-P energy: -7.049
tors. eta vs tors. theta energy: -13.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -111.016532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.016532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.016532 (E_RNA)
where:
Base-Base interactions energy: -54.852
where: short stacking energy: -33.941
Base-Backbone interact. energy: -0.386
local terms energy: -55.778180
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -14.172
flat angles P-C4'-P energy: -7.748
tors. eta vs tors. theta energy: -6.905
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: 318
Temperature: 1.300000
Total energy: -75.901222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.901222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.901222 (E_RNA)
where:
Base-Base interactions energy: -34.621
where: short stacking energy: -32.944
Base-Backbone interact. energy: -0.027
local terms energy: -41.252944
where:
bonds (distance) C4'-P energy: -16.937
bonds (distance) P-C4' energy: -11.403
flat angles C4'-P-C4' energy: -8.842
flat angles P-C4'-P energy: -1.988
tors. eta vs tors. theta energy: -2.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -79.776393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.776393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.776393 (E_RNA)
where:
Base-Base interactions energy: -36.769
where: short stacking energy: -25.041
Base-Backbone interact. energy: -0.095
local terms energy: -42.912554
where:
bonds (distance) C4'-P energy: -11.874
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -11.370
flat angles P-C4'-P energy: -3.400
tors. eta vs tors. theta energy: -4.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -218.698471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.698471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.698471 (E_RNA)
where:
Base-Base interactions energy: -137.253
where: short stacking energy: -63.415
Base-Backbone interact. energy: -0.618
local terms energy: -80.828279
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -17.534
flat angles P-C4'-P energy: -13.069
tors. eta vs tors. theta energy: -16.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -212.633134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.633134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.633134 (E_RNA)
where:
Base-Base interactions energy: -142.912
where: short stacking energy: -62.186
Base-Backbone interact. energy: 0.248
local terms energy: -69.969359
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -15.815
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -15.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -206.235444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.235444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.235444 (E_RNA)
where:
Base-Base interactions energy: -132.216
where: short stacking energy: -65.478
Base-Backbone interact. energy: 1.154
local terms energy: -75.173036
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -17.858
flat angles C4'-P-C4' energy: -13.557
flat angles P-C4'-P energy: -12.240
tors. eta vs tors. theta energy: -18.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -193.445730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.445730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.445730 (E_RNA)
where:
Base-Base interactions energy: -124.512
where: short stacking energy: -57.083
Base-Backbone interact. energy: 0.902
local terms energy: -69.835176
where:
bonds (distance) C4'-P energy: -18.342
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -7.713
tors. eta vs tors. theta energy: -11.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -184.620904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.620904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.620904 (E_RNA)
where:
Base-Base interactions energy: -122.638
where: short stacking energy: -51.847
Base-Backbone interact. energy: -0.882
local terms energy: -61.100567
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -15.133
flat angles C4'-P-C4' energy: -13.522
flat angles P-C4'-P energy: -6.725
tors. eta vs tors. theta energy: -12.417
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: 319
Temperature: 1.150000
Total energy: -179.681423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.681423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.681423 (E_RNA)
where:
Base-Base interactions energy: -115.114
where: short stacking energy: -58.294
Base-Backbone interact. energy: -0.006
local terms energy: -64.561285
where:
bonds (distance) C4'-P energy: -11.122
bonds (distance) P-C4' energy: -13.685
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -5.941
tors. eta vs tors. theta energy: -20.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -86.808489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.808489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.808489 (E_RNA)
where:
Base-Base interactions energy: -36.040
where: short stacking energy: -36.040
Base-Backbone interact. energy: -0.163
local terms energy: -50.605809
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -13.767
flat angles C4'-P-C4' energy: -11.382
flat angles P-C4'-P energy: -5.659
tors. eta vs tors. theta energy: -6.287
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: 7
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -87.616044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.616044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.616044 (E_RNA)
where:
Base-Base interactions energy: -48.836
where: short stacking energy: -24.418
Base-Backbone interact. energy: -0.146
local terms energy: -38.634198
where:
bonds (distance) C4'-P energy: -9.731
bonds (distance) P-C4' energy: -10.911
flat angles C4'-P-C4' energy: -9.932
flat angles P-C4'-P energy: -8.350
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: 1
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -77.622233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.622233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.622233 (E_RNA)
where:
Base-Base interactions energy: -27.064
where: short stacking energy: -23.081
Base-Backbone interact. energy: 0.749
local terms energy: -51.308050
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -15.412
flat angles C4'-P-C4' energy: -13.042
flat angles P-C4'-P energy: -8.522
tors. eta vs tors. theta energy: -1.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -78.216324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.216324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.216324 (E_RNA)
where:
Base-Base interactions energy: -35.338
where: short stacking energy: -23.619
Base-Backbone interact. energy: -0.601
local terms energy: -42.277029
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -10.837
flat angles C4'-P-C4' energy: -13.381
flat angles P-C4'-P energy: -7.679
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: 6
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -221.482370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.482370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.482370 (E_RNA)
where:
Base-Base interactions energy: -140.037
where: short stacking energy: -76.753
Base-Backbone interact. energy: -0.004
local terms energy: -81.441101
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -17.191
flat angles C4'-P-C4' energy: -17.748
flat angles P-C4'-P energy: -12.961
tors. eta vs tors. theta energy: -20.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -211.878757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.878757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.878757 (E_RNA)
where:
Base-Base interactions energy: -138.004
where: short stacking energy: -63.241
Base-Backbone interact. energy: 0.312
local terms energy: -74.187092
where:
bonds (distance) C4'-P energy: -14.979
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -10.543
flat angles P-C4'-P energy: -12.847
tors. eta vs tors. theta energy: -18.061
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: 2
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -208.257758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.257758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.257758 (E_RNA)
where:
Base-Base interactions energy: -131.329
where: short stacking energy: -69.029
Base-Backbone interact. energy: -0.005
local terms energy: -76.923234
where:
bonds (distance) C4'-P energy: -13.429
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -14.516
tors. eta vs tors. theta energy: -16.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -214.223609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.223609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.223609 (E_RNA)
where:
Base-Base interactions energy: -140.673
where: short stacking energy: -73.190
Base-Backbone interact. energy: -0.266
local terms energy: -73.284705
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -12.158
tors. eta vs tors. theta energy: -18.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -180.032711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.032711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.032711 (E_RNA)
where:
Base-Base interactions energy: -114.090
where: short stacking energy: -51.518
Base-Backbone interact. energy: -0.430
local terms energy: -65.512212
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -13.473
flat angles P-C4'-P energy: -7.497
tors. eta vs tors. theta energy: -14.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -183.688765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.688765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.688765 (E_RNA)
where:
Base-Base interactions energy: -110.179
where: short stacking energy: -57.729
Base-Backbone interact. energy: -0.604
local terms energy: -72.906037
where:
bonds (distance) C4'-P energy: -15.493
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -10.820
flat angles P-C4'-P energy: -14.601
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: 7, replica: 7
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -85.255692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.255692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.255692 (E_RNA)
where:
Base-Base interactions energy: -28.902
where: short stacking energy: -25.917
Base-Backbone interact. energy: -0.011
local terms energy: -56.342686
where:
bonds (distance) C4'-P energy: -18.031
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -12.661
flat angles P-C4'-P energy: -4.536
tors. eta vs tors. theta energy: -6.960
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: 5
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -86.869393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.869393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.869393 (E_RNA)
where:
Base-Base interactions energy: -37.919
where: short stacking energy: -36.909
Base-Backbone interact. energy: -0.022
local terms energy: -48.928557
where:
bonds (distance) C4'-P energy: -5.913
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -9.546
tors. eta vs tors. theta energy: -1.057
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: 3
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -92.808018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.808018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.808018 (E_RNA)
where:
Base-Base interactions energy: -45.142
where: short stacking energy: -24.516
Base-Backbone interact. energy: -0.306
local terms energy: -47.359987
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -11.518
flat angles C4'-P-C4' energy: -8.942
flat angles P-C4'-P energy: -5.981
tors. eta vs tors. theta energy: -4.134
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: 1
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -76.981007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.981007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.981007 (E_RNA)
where:
Base-Base interactions energy: -29.010
where: short stacking energy: -17.056
Base-Backbone interact. energy: -0.235
local terms energy: -47.736060
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -12.971
flat angles P-C4'-P energy: -8.870
tors. eta vs tors. theta energy: 3.359
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: 6
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -222.811397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.811397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.811397 (E_RNA)
where:
Base-Base interactions energy: -144.149
where: short stacking energy: -69.235
Base-Backbone interact. energy: -0.009
local terms energy: -78.653017
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -16.960
flat angles P-C4'-P energy: -11.434
tors. eta vs tors. theta energy: -20.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -215.841933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.841933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.841933 (E_RNA)
where:
Base-Base interactions energy: -135.818
where: short stacking energy: -68.807
Base-Backbone interact. energy: -0.001
local terms energy: -80.023127
where:
bonds (distance) C4'-P energy: -17.497
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -16.456
flat angles P-C4'-P energy: -7.538
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: 3, replica: 10
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -206.932975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.932975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.932975 (E_RNA)
where:
Base-Base interactions energy: -136.149
where: short stacking energy: -61.837
Base-Backbone interact. energy: -0.078
local terms energy: -70.706144
where:
bonds (distance) C4'-P energy: -10.645
bonds (distance) P-C4' energy: -13.438
flat angles C4'-P-C4' energy: -16.701
flat angles P-C4'-P energy: -13.526
tors. eta vs tors. theta energy: -16.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -203.934269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.934269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.934269 (E_RNA)
where:
Base-Base interactions energy: -132.976
where: short stacking energy: -67.064
Base-Backbone interact. energy: -0.374
local terms energy: -70.583759
where:
bonds (distance) C4'-P energy: -14.170
bonds (distance) P-C4' energy: -12.350
flat angles C4'-P-C4' energy: -13.496
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -20.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -186.402501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.402501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.402501 (E_RNA)
where:
Base-Base interactions energy: -116.394
where: short stacking energy: -50.577
Base-Backbone interact. energy: -0.112
local terms energy: -69.896552
where:
bonds (distance) C4'-P energy: -13.797
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: -13.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -183.939240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.939240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.939240 (E_RNA)
where:
Base-Base interactions energy: -118.990
where: short stacking energy: -56.630
Base-Backbone interact. energy: -0.536
local terms energy: -64.413155
where:
bonds (distance) C4'-P energy: -12.011
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -12.640
flat angles P-C4'-P energy: -9.117
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: 321
Temperature: 1.200000
Total energy: -92.063476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.063476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.063476 (E_RNA)
where:
Base-Base interactions energy: -42.935
where: short stacking energy: -33.794
Base-Backbone interact. energy: -0.210
local terms energy: -48.918823
where:
bonds (distance) C4'-P energy: -9.656
bonds (distance) P-C4' energy: -14.337
flat angles C4'-P-C4' energy: -13.613
flat angles P-C4'-P energy: -7.711
tors. eta vs tors. theta energy: -3.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -97.766779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.766779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.766779 (E_RNA)
where:
Base-Base interactions energy: -37.398
where: short stacking energy: -24.837
Base-Backbone interact. energy: -0.024
local terms energy: -60.344872
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -12.535
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -10.535
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: 5
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -79.933433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.933433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.933433 (E_RNA)
where:
Base-Base interactions energy: -28.429
where: short stacking energy: -22.672
Base-Backbone interact. energy: -0.150
local terms energy: -51.354548
where:
bonds (distance) C4'-P energy: -10.622
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -12.624
flat angles P-C4'-P energy: -9.684
tors. eta vs tors. theta energy: -2.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -85.372577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.372577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.372577 (E_RNA)
where:
Base-Base interactions energy: -39.668
where: short stacking energy: -21.573
Base-Backbone interact. energy: -0.158
local terms energy: -45.547112
where:
bonds (distance) C4'-P energy: -8.067
bonds (distance) P-C4' energy: -18.058
flat angles C4'-P-C4' energy: -8.529
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -0.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -224.228606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.228606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.228606 (E_RNA)
where:
Base-Base interactions energy: -142.850
where: short stacking energy: -73.871
Base-Backbone interact. energy: -0.943
local terms energy: -80.434796
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -16.904
flat angles P-C4'-P energy: -11.672
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: 2, replica: 2
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -202.355577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.355577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.355577 (E_RNA)
where:
Base-Base interactions energy: -128.998
where: short stacking energy: -54.057
Base-Backbone interact. energy: -0.211
local terms energy: -73.146939
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -14.574
flat angles C4'-P-C4' energy: -14.413
flat angles P-C4'-P energy: -12.967
tors. eta vs tors. theta energy: -16.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -213.175723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.175723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.175723 (E_RNA)
where:
Base-Base interactions energy: -132.894
where: short stacking energy: -68.078
Base-Backbone interact. energy: -0.679
local terms energy: -79.602901
where:
bonds (distance) C4'-P energy: -17.294
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -15.936
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: -16.834
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: 4, replica: 10
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -208.352528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.352528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.352528 (E_RNA)
where:
Base-Base interactions energy: -140.429
where: short stacking energy: -67.143
Base-Backbone interact. energy: -0.716
local terms energy: -67.207526
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -14.307
flat angles C4'-P-C4' energy: -13.502
flat angles P-C4'-P energy: -10.733
tors. eta vs tors. theta energy: -16.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -188.883033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.883033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.883033 (E_RNA)
where:
Base-Base interactions energy: -117.783
where: short stacking energy: -59.809
Base-Backbone interact. energy: -0.464
local terms energy: -70.636342
where:
bonds (distance) C4'-P energy: -12.498
bonds (distance) P-C4' energy: -11.696
flat angles C4'-P-C4' energy: -16.310
flat angles P-C4'-P energy: -12.448
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: 6, replica: 9
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -179.618036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.618036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.618036 (E_RNA)
where:
Base-Base interactions energy: -108.366
where: short stacking energy: -51.143
Base-Backbone interact. energy: -0.078
local terms energy: -71.174465
where:
bonds (distance) C4'-P energy: -16.859
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -15.888
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: -12.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -101.242330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.242330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.242330 (E_RNA)
where:
Base-Base interactions energy: -40.692
where: short stacking energy: -40.692
Base-Backbone interact. energy: -0.183
local terms energy: -60.366751
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -17.178
flat angles P-C4'-P energy: -7.777
tors. eta vs tors. theta energy: -5.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -86.690421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.690421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.690421 (E_RNA)
where:
Base-Base interactions energy: -39.410
where: short stacking energy: -38.280
Base-Backbone interact. energy: -0.417
local terms energy: -46.862953
where:
bonds (distance) C4'-P energy: -11.306
bonds (distance) P-C4' energy: -12.949
flat angles C4'-P-C4' energy: -6.547
flat angles P-C4'-P energy: -9.194
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: 9, replica: 1
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -86.829814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.829814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.829814 (E_RNA)
where:
Base-Base interactions energy: -36.271
where: short stacking energy: -27.105
Base-Backbone interact. energy: 0.087
local terms energy: -50.645972
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -12.870
flat angles P-C4'-P energy: -9.891
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: 10, replica: 5
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -86.087073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.087073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.087073 (E_RNA)
where:
Base-Base interactions energy: -29.111
where: short stacking energy: -29.111
Base-Backbone interact. energy: -0.505
local terms energy: -56.471207
where:
bonds (distance) C4'-P energy: -11.663
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -12.256
flat angles P-C4'-P energy: -7.869
tors. eta vs tors. theta energy: -9.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -222.322221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.322221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.322221 (E_RNA)
where:
Base-Base interactions energy: -139.927
where: short stacking energy: -73.676
Base-Backbone interact. energy: -0.484
local terms energy: -81.910724
where:
bonds (distance) C4'-P energy: -17.302
bonds (distance) P-C4' energy: -16.538
flat angles C4'-P-C4' energy: -16.946
flat angles P-C4'-P energy: -10.208
tors. eta vs tors. theta energy: -20.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -220.128843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.128843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.128843 (E_RNA)
where:
Base-Base interactions energy: -142.952
where: short stacking energy: -69.596
Base-Backbone interact. energy: -0.581
local terms energy: -76.596280
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -15.312
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -12.748
tors. eta vs tors. theta energy: -20.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -206.507657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.507657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.507657 (E_RNA)
where:
Base-Base interactions energy: -134.002
where: short stacking energy: -63.757
Base-Backbone interact. energy: -0.347
local terms energy: -72.159184
where:
bonds (distance) C4'-P energy: -11.809
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -16.318
flat angles P-C4'-P energy: -9.006
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: 4, replica: 8
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -208.478241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.478241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.478241 (E_RNA)
where:
Base-Base interactions energy: -140.546
where: short stacking energy: -63.194
Base-Backbone interact. energy: -0.041
local terms energy: -67.891604
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -14.833
flat angles C4'-P-C4' energy: -12.608
flat angles P-C4'-P energy: -10.995
tors. eta vs tors. theta energy: -16.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -179.262851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.262851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.262851 (E_RNA)
where:
Base-Base interactions energy: -115.380
where: short stacking energy: -51.375
Base-Backbone interact. energy: -0.008
local terms energy: -63.874489
where:
bonds (distance) C4'-P energy: -9.455
bonds (distance) P-C4' energy: -18.253
flat angles C4'-P-C4' energy: -10.426
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: -16.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -179.893946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.893946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.893946 (E_RNA)
where:
Base-Base interactions energy: -111.383
where: short stacking energy: -52.693
Base-Backbone interact. energy: -0.098
local terms energy: -68.413054
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -9.917
tors. eta vs tors. theta energy: -13.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -97.501900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.501900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.501900 (E_RNA)
where:
Base-Base interactions energy: -47.071
where: short stacking energy: -36.563
Base-Backbone interact. energy: -0.116
local terms energy: -50.315071
where:
bonds (distance) C4'-P energy: -10.421
bonds (distance) P-C4' energy: -9.601
flat angles C4'-P-C4' energy: -15.022
flat angles P-C4'-P energy: -7.627
tors. eta vs tors. theta energy: -7.643
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: 1
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -81.172952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.172952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.172952 (E_RNA)
where:
Base-Base interactions energy: -26.606
where: short stacking energy: -26.606
Base-Backbone interact. energy: -0.165
local terms energy: -54.401720
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -14.834
flat angles C4'-P-C4' energy: -10.670
flat angles P-C4'-P energy: -12.974
tors. eta vs tors. theta energy: -2.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -81.612099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.612099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.612099 (E_RNA)
where:
Base-Base interactions energy: -38.029
where: short stacking energy: -21.322
Base-Backbone interact. energy: 0.523
local terms energy: -44.105994
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -13.555
flat angles C4'-P-C4' energy: -10.442
flat angles P-C4'-P energy: -3.490
tors. eta vs tors. theta energy: -2.540
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: 5
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -76.385684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.385684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.385684 (E_RNA)
where:
Base-Base interactions energy: -30.677
where: short stacking energy: -28.097
Base-Backbone interact. energy: -0.068
local terms energy: -45.640710
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -12.264
flat angles C4'-P-C4' energy: -10.588
flat angles P-C4'-P energy: -5.158
tors. eta vs tors. theta energy: -4.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -225.400811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.400811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.400811 (E_RNA)
where:
Base-Base interactions energy: -143.086
where: short stacking energy: -76.927
Base-Backbone interact. energy: -0.004
local terms energy: -82.310173
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -17.960
flat angles P-C4'-P energy: -10.533
tors. eta vs tors. theta energy: -22.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -220.866350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.866350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.866350 (E_RNA)
where:
Base-Base interactions energy: -143.888
where: short stacking energy: -69.172
Base-Backbone interact. energy: -0.083
local terms energy: -76.895233
where:
bonds (distance) C4'-P energy: -12.854
bonds (distance) P-C4' energy: -12.142
flat angles C4'-P-C4' energy: -18.587
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: -21.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -212.098851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.098851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.098851 (E_RNA)
where:
Base-Base interactions energy: -128.342
where: short stacking energy: -69.060
Base-Backbone interact. energy: -0.018
local terms energy: -83.738767
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -17.160
flat angles P-C4'-P energy: -11.831
tors. eta vs tors. theta energy: -21.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -206.763373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.763373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.763373 (E_RNA)
where:
Base-Base interactions energy: -132.905
where: short stacking energy: -64.083
Base-Backbone interact. energy: -0.020
local terms energy: -73.838436
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -14.302
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -9.199
tors. eta vs tors. theta energy: -19.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -184.399684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.399684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.399684 (E_RNA)
where:
Base-Base interactions energy: -115.203
where: short stacking energy: -58.742
Base-Backbone interact. energy: -0.078
local terms energy: -69.118522
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -16.745
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -8.753
tors. eta vs tors. theta energy: -15.889
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: 6, replica: 10
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -154.440134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.440134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.440134 (E_RNA)
where:
Base-Base interactions energy: -100.282
where: short stacking energy: -39.644
Base-Backbone interact. energy: -0.063
local terms energy: -54.095599
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -12.263
flat angles P-C4'-P energy: -7.411
tors. eta vs tors. theta energy: -7.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -91.118540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.118540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.118540 (E_RNA)
where:
Base-Base interactions energy: -40.954
where: short stacking energy: -41.205
Base-Backbone interact. energy: -0.647
local terms energy: -49.517662
where:
bonds (distance) C4'-P energy: -11.098
bonds (distance) P-C4' energy: -12.586
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -6.981
tors. eta vs tors. theta energy: -3.614
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: 1
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -81.957616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.957616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.957616 (E_RNA)
where:
Base-Base interactions energy: -29.996
where: short stacking energy: -29.996
Base-Backbone interact. energy: -0.133
local terms energy: -51.828722
where:
bonds (distance) C4'-P energy: -10.944
bonds (distance) P-C4' energy: -11.316
flat angles C4'-P-C4' energy: -15.909
flat angles P-C4'-P energy: -7.320
tors. eta vs tors. theta energy: -6.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -87.208961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.208961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.208961 (E_RNA)
where:
Base-Base interactions energy: -39.879
where: short stacking energy: -27.464
Base-Backbone interact. energy: -0.267
local terms energy: -47.063404
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -9.859
flat angles P-C4'-P energy: -7.153
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: 10, replica: 7
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -69.405798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.405798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.405798 (E_RNA)
where:
Base-Base interactions energy: -29.003
where: short stacking energy: -28.180
Base-Backbone interact. energy: 1.589
local terms energy: -41.991890
where:
bonds (distance) C4'-P energy: -12.064
bonds (distance) P-C4' energy: -13.593
flat angles C4'-P-C4' energy: -7.416
flat angles P-C4'-P energy: -5.959
tors. eta vs tors. theta energy: -2.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -218.751860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.751860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.751860 (E_RNA)
where:
Base-Base interactions energy: -148.211
where: short stacking energy: -68.865
Base-Backbone interact. energy: 0.182
local terms energy: -70.722289
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -14.317
flat angles C4'-P-C4' energy: -13.739
flat angles P-C4'-P energy: -6.788
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: 2, replica: 8
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -222.344524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.344524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.344524 (E_RNA)
where:
Base-Base interactions energy: -141.875
where: short stacking energy: -75.175
Base-Backbone interact. energy: 0.338
local terms energy: -80.807240
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -16.276
flat angles C4'-P-C4' energy: -15.689
flat angles P-C4'-P energy: -9.969
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: 6
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -224.895660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.895660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.895660 (E_RNA)
where:
Base-Base interactions energy: -149.919
where: short stacking energy: -65.511
Base-Backbone interact. energy: -0.425
local terms energy: -74.551518
where:
bonds (distance) C4'-P energy: -16.486
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -10.893
tors. eta vs tors. theta energy: -17.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -204.949966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.949966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.949966 (E_RNA)
where:
Base-Base interactions energy: -133.683
where: short stacking energy: -72.600
Base-Backbone interact. energy: -0.005
local terms energy: -71.262160
where:
bonds (distance) C4'-P energy: -7.782
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -16.232
flat angles P-C4'-P energy: -10.712
tors. eta vs tors. theta energy: -21.379
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: 2
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -185.175188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.175188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.175188 (E_RNA)
where:
Base-Base interactions energy: -120.610
where: short stacking energy: -62.837
Base-Backbone interact. energy: -0.010
local terms energy: -64.555889
where:
bonds (distance) C4'-P energy: -10.211
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -16.698
flat angles P-C4'-P energy: -5.214
tors. eta vs tors. theta energy: -16.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -154.771719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.771719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.771719 (E_RNA)
where:
Base-Base interactions energy: -90.300
where: short stacking energy: -46.326
Base-Backbone interact. energy: -0.043
local terms energy: -64.428470
where:
bonds (distance) C4'-P energy: -13.214
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -13.799
flat angles P-C4'-P energy: -10.101
tors. eta vs tors. theta energy: -11.869
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: 3
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -92.474887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.474887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.474887 (E_RNA)
where:
Base-Base interactions energy: -35.824
where: short stacking energy: -27.373
Base-Backbone interact. energy: -0.308
local terms energy: -56.342941
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -14.090
flat angles C4'-P-C4' energy: -14.875
flat angles P-C4'-P energy: -7.524
tors. eta vs tors. theta energy: -5.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -90.579027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.579027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.579027 (E_RNA)
where:
Base-Base interactions energy: -40.350
where: short stacking energy: -19.919
Base-Backbone interact. energy: -0.091
local terms energy: -50.138598
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -12.413
flat angles C4'-P-C4' energy: -12.969
flat angles P-C4'-P energy: -9.336
tors. eta vs tors. theta energy: -2.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -82.657548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.657548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.657548 (E_RNA)
where:
Base-Base interactions energy: -36.448
where: short stacking energy: -18.173
Base-Backbone interact. energy: -0.441
local terms energy: -45.769041
where:
bonds (distance) C4'-P energy: -10.990
bonds (distance) P-C4' energy: -12.552
flat angles C4'-P-C4' energy: -10.541
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -2.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -73.609761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.609761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.609761 (E_RNA)
where:
Base-Base interactions energy: -20.578
where: short stacking energy: -18.146
Base-Backbone interact. energy: -0.254
local terms energy: -52.777873
where:
bonds (distance) C4'-P energy: -14.946
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -16.135
flat angles P-C4'-P energy: -3.277
tors. eta vs tors. theta energy: -2.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -225.321964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.321964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.321964 (E_RNA)
where:
Base-Base interactions energy: -151.616
where: short stacking energy: -76.664
Base-Backbone interact. energy: -0.009
local terms energy: -73.697281
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -14.647
flat angles C4'-P-C4' energy: -14.635
flat angles P-C4'-P energy: -10.514
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: 2, replica: 4
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -217.605548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.605548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.605548 (E_RNA)
where:
Base-Base interactions energy: -136.117
where: short stacking energy: -71.364
Base-Backbone interact. energy: -0.007
local terms energy: -81.481401
where:
bonds (distance) C4'-P energy: -18.264
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -11.313
flat angles P-C4'-P energy: -14.958
tors. eta vs tors. theta energy: -20.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -205.260320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.260320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.260320 (E_RNA)
where:
Base-Base interactions energy: -126.999
where: short stacking energy: -65.256
Base-Backbone interact. energy: -0.046
local terms energy: -78.214791
where:
bonds (distance) C4'-P energy: -11.502
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -16.683
flat angles P-C4'-P energy: -12.733
tors. eta vs tors. theta energy: -20.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -213.514655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.514655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.514655 (E_RNA)
where:
Base-Base interactions energy: -134.796
where: short stacking energy: -66.232
Base-Backbone interact. energy: -0.425
local terms energy: -78.293760
where:
bonds (distance) C4'-P energy: -16.681
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -11.973
flat angles P-C4'-P energy: -8.797
tors. eta vs tors. theta energy: -23.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -182.353593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.353593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.353593 (E_RNA)
where:
Base-Base interactions energy: -120.612
where: short stacking energy: -50.597
Base-Backbone interact. energy: -0.502
local terms energy: -61.239921
where:
bonds (distance) C4'-P energy: -14.203
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -11.846
flat angles P-C4'-P energy: -8.628
tors. eta vs tors. theta energy: -11.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -173.820464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.820464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.820464 (E_RNA)
where:
Base-Base interactions energy: -110.548
where: short stacking energy: -58.690
Base-Backbone interact. energy: -0.118
local terms energy: -63.154730
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -15.171
flat angles C4'-P-C4' energy: -16.283
flat angles P-C4'-P energy: -2.744
tors. eta vs tors. theta energy: -16.996
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: 1
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -106.748137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.748137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.748137 (E_RNA)
where:
Base-Base interactions energy: -51.530
where: short stacking energy: -37.619
Base-Backbone interact. energy: -0.423
local terms energy: -54.794738
where:
bonds (distance) C4'-P energy: -9.044
bonds (distance) P-C4' energy: -14.805
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -11.563
tors. eta vs tors. theta energy: -5.296
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: 3
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -92.327617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.327617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.327617 (E_RNA)
where:
Base-Base interactions energy: -36.679
where: short stacking energy: -34.400
Base-Backbone interact. energy: -0.237
local terms energy: -55.411042
where:
bonds (distance) C4'-P energy: -15.262
bonds (distance) P-C4' energy: -14.583
flat angles C4'-P-C4' energy: -9.259
flat angles P-C4'-P energy: -12.078
tors. eta vs tors. theta energy: -4.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -81.749353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.749353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.749353 (E_RNA)
where:
Base-Base interactions energy: -24.338
where: short stacking energy: -21.265
Base-Backbone interact. energy: -0.167
local terms energy: -57.244872
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -15.778
flat angles P-C4'-P energy: -11.981
tors. eta vs tors. theta energy: -0.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -78.073908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.073908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.073908 (E_RNA)
where:
Base-Base interactions energy: -33.319
where: short stacking energy: -33.319
Base-Backbone interact. energy: -0.117
local terms energy: -44.637451
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -18.616
flat angles C4'-P-C4' energy: -6.834
flat angles P-C4'-P energy: -3.471
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: 8
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -225.525775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.525775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.525775 (E_RNA)
where:
Base-Base interactions energy: -150.697
where: short stacking energy: -67.191
Base-Backbone interact. energy: -0.037
local terms energy: -74.791524
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -11.629
tors. eta vs tors. theta energy: -19.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -211.819777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.819777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.819777 (E_RNA)
where:
Base-Base interactions energy: -140.846
where: short stacking energy: -72.536
Base-Backbone interact. energy: -0.022
local terms energy: -70.951838
where:
bonds (distance) C4'-P energy: -9.060
bonds (distance) P-C4' energy: -12.947
flat angles C4'-P-C4' energy: -12.381
flat angles P-C4'-P energy: -13.546
tors. eta vs tors. theta energy: -23.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -216.394466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.394466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.394466 (E_RNA)
where:
Base-Base interactions energy: -142.553
where: short stacking energy: -68.355
Base-Backbone interact. energy: -0.021
local terms energy: -73.820370
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -16.966
flat angles C4'-P-C4' energy: -17.531
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: -17.720
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: 9
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -195.297019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.297019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.297019 (E_RNA)
where:
Base-Base interactions energy: -122.621
where: short stacking energy: -49.541
Base-Backbone interact. energy: -0.322
local terms energy: -72.354678
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -12.931
tors. eta vs tors. theta energy: -15.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -180.232994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.232994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.232994 (E_RNA)
where:
Base-Base interactions energy: -114.949
where: short stacking energy: -59.603
Base-Backbone interact. energy: -0.198
local terms energy: -65.085989
where:
bonds (distance) C4'-P energy: -16.860
bonds (distance) P-C4' energy: -12.807
flat angles C4'-P-C4' energy: -13.798
flat angles P-C4'-P energy: -7.002
tors. eta vs tors. theta energy: -14.620
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: 10
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -153.484189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.484189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.484189 (E_RNA)
where:
Base-Base interactions energy: -106.815
where: short stacking energy: -43.394
Base-Backbone interact. energy: -0.671
local terms energy: -45.997541
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -10.838
flat angles C4'-P-C4' energy: -10.304
flat angles P-C4'-P energy: -6.347
tors. eta vs tors. theta energy: -5.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -85.248623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.248623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.248623 (E_RNA)
where:
Base-Base interactions energy: -26.662
where: short stacking energy: -26.662
Base-Backbone interact. energy: 0.003
local terms energy: -58.589518
where:
bonds (distance) C4'-P energy: -16.636
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -13.390
flat angles P-C4'-P energy: -8.358
tors. eta vs tors. theta energy: -6.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -88.036848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.036848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.036848 (E_RNA)
where:
Base-Base interactions energy: -41.259
where: short stacking energy: -40.882
Base-Backbone interact. energy: -0.006
local terms energy: -46.772619
where:
bonds (distance) C4'-P energy: -6.861
bonds (distance) P-C4' energy: -7.780
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -9.029
tors. eta vs tors. theta energy: -8.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -84.091426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.091426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.091426 (E_RNA)
where:
Base-Base interactions energy: -36.238
where: short stacking energy: -23.722
Base-Backbone interact. energy: -0.164
local terms energy: -47.689418
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -13.486
flat angles P-C4'-P energy: -5.638
tors. eta vs tors. theta energy: -0.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -81.145858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.145858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.145858 (E_RNA)
where:
Base-Base interactions energy: -41.155
where: short stacking energy: -35.984
Base-Backbone interact. energy: -0.289
local terms energy: -39.701866
where:
bonds (distance) C4'-P energy: -1.538
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -2.560
tors. eta vs tors. theta energy: -7.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -223.214722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.214722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.214722 (E_RNA)
where:
Base-Base interactions energy: -140.999
where: short stacking energy: -71.372
Base-Backbone interact. energy: -0.915
local terms energy: -81.300649
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -17.123
flat angles P-C4'-P energy: -13.569
tors. eta vs tors. theta energy: -22.980
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: 2, replica: 6
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -200.471109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.471109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.471109 (E_RNA)
where:
Base-Base interactions energy: -125.069
where: short stacking energy: -65.159
Base-Backbone interact. energy: -0.103
local terms energy: -75.299206
where:
bonds (distance) C4'-P energy: -13.625
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -12.935
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: 3, replica: 9
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -202.439710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.439710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.439710 (E_RNA)
where:
Base-Base interactions energy: -132.201
where: short stacking energy: -65.379
Base-Backbone interact. energy: -0.002
local terms energy: -70.236016
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -11.321
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: 4, replica: 4
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -188.010884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.010884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.010884 (E_RNA)
where:
Base-Base interactions energy: -128.384
where: short stacking energy: -57.897
Base-Backbone interact. energy: -0.268
local terms energy: -59.358911
where:
bonds (distance) C4'-P energy: -12.131
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -6.197
tors. eta vs tors. theta energy: -12.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -193.668580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.668580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.668580 (E_RNA)
where:
Base-Base interactions energy: -121.361
where: short stacking energy: -48.724
Base-Backbone interact. energy: -0.160
local terms energy: -72.147615
where:
bonds (distance) C4'-P energy: -13.766
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -13.402
tors. eta vs tors. theta energy: -12.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -121.377129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.377129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.377129 (E_RNA)
where:
Base-Base interactions energy: -72.225
where: short stacking energy: -41.591
Base-Backbone interact. energy: -0.581
local terms energy: -48.571253
where:
bonds (distance) C4'-P energy: -10.678
bonds (distance) P-C4' energy: -12.129
flat angles C4'-P-C4' energy: -16.320
flat angles P-C4'-P energy: -7.100
tors. eta vs tors. theta energy: -2.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -89.161662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.161662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.161662 (E_RNA)
where:
Base-Base interactions energy: -29.991
where: short stacking energy: -29.991
Base-Backbone interact. energy: 0.526
local terms energy: -59.696788
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -16.006
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -8.011
tors. eta vs tors. theta energy: -7.092
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: 8, replica: 1
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -97.128576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.128576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.128576 (E_RNA)
where:
Base-Base interactions energy: -50.297
where: short stacking energy: -35.450
Base-Backbone interact. energy: -0.068
local terms energy: -46.763642
where:
bonds (distance) C4'-P energy: -16.765
bonds (distance) P-C4' energy: -8.503
flat angles C4'-P-C4' energy: -10.291
flat angles P-C4'-P energy: -8.847
tors. eta vs tors. theta energy: -2.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -87.674558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.674558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.674558 (E_RNA)
where:
Base-Base interactions energy: -36.750
where: short stacking energy: -19.607
Base-Backbone interact. energy: -0.046
local terms energy: -50.878763
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -15.723
flat angles C4'-P-C4' energy: -17.343
flat angles P-C4'-P energy: -1.860
tors. eta vs tors. theta energy: -2.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -76.143421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.143421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.143421 (E_RNA)
where:
Base-Base interactions energy: -23.030
where: short stacking energy: -21.789
Base-Backbone interact. energy: -0.612
local terms energy: -52.501751
where:
bonds (distance) C4'-P energy: -15.844
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -11.626
flat angles P-C4'-P energy: -11.109
tors. eta vs tors. theta energy: 1.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -227.731142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.731142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.731142 (E_RNA)
where:
Base-Base interactions energy: -144.675
where: short stacking energy: -79.019
Base-Backbone interact. energy: -0.741
local terms energy: -82.314938
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -17.162
flat angles P-C4'-P energy: -10.194
tors. eta vs tors. theta energy: -23.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -214.499639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.499639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.499639 (E_RNA)
where:
Base-Base interactions energy: -137.498
where: short stacking energy: -70.366
Base-Backbone interact. energy: -0.003
local terms energy: -76.999081
where:
bonds (distance) C4'-P energy: -13.553
bonds (distance) P-C4' energy: -13.794
flat angles C4'-P-C4' energy: -16.772
flat angles P-C4'-P energy: -12.358
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: 6
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -211.197504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.197504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.197504 (E_RNA)
where:
Base-Base interactions energy: -139.320
where: short stacking energy: -68.051
Base-Backbone interact. energy: -0.469
local terms energy: -71.409180
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -12.716
flat angles P-C4'-P energy: -10.688
tors. eta vs tors. theta energy: -18.041
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: 329
Temperature: 1.050000
Total energy: -191.418266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.418266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.418266 (E_RNA)
where:
Base-Base interactions energy: -128.583
where: short stacking energy: -54.895
Base-Backbone interact. energy: -0.513
local terms energy: -62.322810
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -13.015
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: -10.797
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: 5, replica: 2
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -205.108669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.108669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.108669 (E_RNA)
where:
Base-Base interactions energy: -128.747
where: short stacking energy: -68.195
Base-Backbone interact. energy: -0.175
local terms energy: -76.186312
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -10.087
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: 10
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -124.084551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.084551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.084551 (E_RNA)
where:
Base-Base interactions energy: -74.272
where: short stacking energy: -42.061
Base-Backbone interact. energy: -0.000
local terms energy: -49.812037
where:
bonds (distance) C4'-P energy: -10.898
bonds (distance) P-C4' energy: -16.366
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -4.899
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: 7, replica: 7
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -97.583546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.583546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.583546 (E_RNA)
where:
Base-Base interactions energy: -41.608
where: short stacking energy: -41.608
Base-Backbone interact. energy: -0.121
local terms energy: -55.854813
where:
bonds (distance) C4'-P energy: -13.964
bonds (distance) P-C4' energy: -13.677
flat angles C4'-P-C4' energy: -12.711
flat angles P-C4'-P energy: -8.125
tors. eta vs tors. theta energy: -7.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -83.723950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.723950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.723950 (E_RNA)
where:
Base-Base interactions energy: -34.988
where: short stacking energy: -32.346
Base-Backbone interact. energy: -0.228
local terms energy: -48.508250
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -11.188
flat angles C4'-P-C4' energy: -10.752
flat angles P-C4'-P energy: -8.492
tors. eta vs tors. theta energy: -2.810
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: 1
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -86.025318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.025318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.025318 (E_RNA)
where:
Base-Base interactions energy: -38.582
where: short stacking energy: -23.302
Base-Backbone interact. energy: -0.758
local terms energy: -46.684825
where:
bonds (distance) C4'-P energy: -17.123
bonds (distance) P-C4' energy: -14.311
flat angles C4'-P-C4' energy: -12.101
flat angles P-C4'-P energy: 1.058
tors. eta vs tors. theta energy: -4.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -74.596055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.596055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.596055 (E_RNA)
where:
Base-Base interactions energy: -25.763
where: short stacking energy: -25.763
Base-Backbone interact. energy: -0.051
local terms energy: -48.781722
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -11.417
flat angles P-C4'-P energy: -5.484
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: 1, replica: 8
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -226.972153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.972153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.972153 (E_RNA)
where:
Base-Base interactions energy: -142.575
where: short stacking energy: -72.920
Base-Backbone interact. energy: -0.064
local terms energy: -84.333322
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -17.773
flat angles P-C4'-P energy: -12.596
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: 9
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -209.200534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.200534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.200534 (E_RNA)
where:
Base-Base interactions energy: -135.109
where: short stacking energy: -72.466
Base-Backbone interact. energy: -0.035
local terms energy: -74.056146
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -13.559
flat angles C4'-P-C4' energy: -17.163
flat angles P-C4'-P energy: -6.242
tors. eta vs tors. theta energy: -20.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -212.198870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.198870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.198870 (E_RNA)
where:
Base-Base interactions energy: -141.576
where: short stacking energy: -72.331
Base-Backbone interact. energy: -0.004
local terms energy: -70.619116
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -4.988
tors. eta vs tors. theta energy: -21.820
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: 4
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -204.567784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.567784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.567784 (E_RNA)
where:
Base-Base interactions energy: -132.999
where: short stacking energy: -68.012
Base-Backbone interact. energy: -0.381
local terms energy: -71.188528
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -15.628
flat angles C4'-P-C4' energy: -13.336
flat angles P-C4'-P energy: -13.223
tors. eta vs tors. theta energy: -16.480
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: 2
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -192.242935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.242935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.242935 (E_RNA)
where:
Base-Base interactions energy: -125.597
where: short stacking energy: -52.110
Base-Backbone interact. energy: -0.663
local terms energy: -65.983162
where:
bonds (distance) C4'-P energy: -12.142
bonds (distance) P-C4' energy: -11.747
flat angles C4'-P-C4' energy: -15.319
flat angles P-C4'-P energy: -10.502
tors. eta vs tors. theta energy: -16.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -121.796828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.796828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.796828 (E_RNA)
where:
Base-Base interactions energy: -66.315
where: short stacking energy: -37.667
Base-Backbone interact. energy: -1.001
local terms energy: -54.480821
where:
bonds (distance) C4'-P energy: -11.577
bonds (distance) P-C4' energy: -12.261
flat angles C4'-P-C4' energy: -15.956
flat angles P-C4'-P energy: -6.200
tors. eta vs tors. theta energy: -8.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -99.874451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.874451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.874451 (E_RNA)
where:
Base-Base interactions energy: -43.381
where: short stacking energy: -43.381
Base-Backbone interact. energy: -0.060
local terms energy: -56.433656
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -12.673
flat angles C4'-P-C4' energy: -12.172
flat angles P-C4'-P energy: -9.650
tors. eta vs tors. theta energy: -9.762
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: 5
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -92.950506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.950506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.950506 (E_RNA)
where:
Base-Base interactions energy: -36.940
where: short stacking energy: -34.884
Base-Backbone interact. energy: 0.724
local terms energy: -56.735183
where:
bonds (distance) C4'-P energy: -13.195
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -13.927
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -8.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -85.676877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.676877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.676877 (E_RNA)
where:
Base-Base interactions energy: -35.096
where: short stacking energy: -25.975
Base-Backbone interact. energy: -0.143
local terms energy: -50.437776
where:
bonds (distance) C4'-P energy: -4.374
bonds (distance) P-C4' energy: -15.654
flat angles C4'-P-C4' energy: -13.779
flat angles P-C4'-P energy: -12.361
tors. eta vs tors. theta energy: -4.270
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: 1
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -82.716457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.716457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.716457 (E_RNA)
where:
Base-Base interactions energy: -31.879
where: short stacking energy: -18.214
Base-Backbone interact. energy: -1.093
local terms energy: -49.744517
where:
bonds (distance) C4'-P energy: -10.952
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -15.980
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: 0.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -221.774624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.774624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.774624 (E_RNA)
where:
Base-Base interactions energy: -141.953
where: short stacking energy: -72.804
Base-Backbone interact. energy: -0.653
local terms energy: -79.169241
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -16.407
flat angles P-C4'-P energy: -13.840
tors. eta vs tors. theta energy: -23.006
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: 6
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -219.161871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.161871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.161871 (E_RNA)
where:
Base-Base interactions energy: -140.719
where: short stacking energy: -69.512
Base-Backbone interact. energy: -0.008
local terms energy: -78.435310
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -15.791
flat angles P-C4'-P energy: -12.870
tors. eta vs tors. theta energy: -22.408
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: 9
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -213.113169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.113169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.113169 (E_RNA)
where:
Base-Base interactions energy: -135.954
where: short stacking energy: -71.446
Base-Backbone interact. energy: -0.090
local terms energy: -77.068955
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -12.106
tors. eta vs tors. theta energy: -21.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -205.626430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.626430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.626430 (E_RNA)
where:
Base-Base interactions energy: -131.004
where: short stacking energy: -64.197
Base-Backbone interact. energy: -0.383
local terms energy: -74.239674
where:
bonds (distance) C4'-P energy: -15.912
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -12.192
flat angles P-C4'-P energy: -8.716
tors. eta vs tors. theta energy: -20.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -184.803112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.803112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.803112 (E_RNA)
where:
Base-Base interactions energy: -117.516
where: short stacking energy: -59.675
Base-Backbone interact. energy: -0.001
local terms energy: -67.285874
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -12.731
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -8.992
tors. eta vs tors. theta energy: -16.396
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: 7
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -95.641748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.641748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.641748 (E_RNA)
where:
Base-Base interactions energy: -38.623
where: short stacking energy: -37.818
Base-Backbone interact. energy: -0.049
local terms energy: -56.970258
where:
bonds (distance) C4'-P energy: -9.407
bonds (distance) P-C4' energy: -16.147
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -9.631
tors. eta vs tors. theta energy: -5.693
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: 10
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -91.202744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.202744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.202744 (E_RNA)
where:
Base-Base interactions energy: -32.517
where: short stacking energy: -27.654
Base-Backbone interact. energy: -0.348
local terms energy: -58.338300
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -9.839
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: 8, replica: 3
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -86.369049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.369049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.369049 (E_RNA)
where:
Base-Base interactions energy: -37.022
where: short stacking energy: -31.825
Base-Backbone interact. energy: -0.178
local terms energy: -49.169550
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -9.956
flat angles C4'-P-C4' energy: -16.587
flat angles P-C4'-P energy: -3.577
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: 5
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -85.960463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.960463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.960463 (E_RNA)
where:
Base-Base interactions energy: -35.425
where: short stacking energy: -33.266
Base-Backbone interact. energy: -0.070
local terms energy: -50.465858
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -14.174
flat angles P-C4'-P energy: -3.121
tors. eta vs tors. theta energy: -4.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -89.001884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.001884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.001884 (E_RNA)
where:
Base-Base interactions energy: -34.457
where: short stacking energy: -34.457
Base-Backbone interact. energy: -0.277
local terms energy: -54.267297
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -6.167
flat angles P-C4'-P energy: -11.889
tors. eta vs tors. theta energy: -4.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -216.861305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.861305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.861305 (E_RNA)
where:
Base-Base interactions energy: -135.600
where: short stacking energy: -71.652
Base-Backbone interact. energy: -0.092
local terms energy: -81.168891
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -16.094
flat angles P-C4'-P energy: -11.659
tors. eta vs tors. theta energy: -22.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -210.682702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.682702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.682702 (E_RNA)
where:
Base-Base interactions energy: -131.507
where: short stacking energy: -70.939
Base-Backbone interact. energy: -0.031
local terms energy: -79.145135
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -16.175
flat angles P-C4'-P energy: -12.504
tors. eta vs tors. theta energy: -23.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -204.491449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.491449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.491449 (E_RNA)
where:
Base-Base interactions energy: -127.463
where: short stacking energy: -56.382
Base-Backbone interact. energy: -0.384
local terms energy: -76.644680
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -15.154
flat angles P-C4'-P energy: -12.861
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: 4, replica: 9
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -210.121988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.121988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.121988 (E_RNA)
where:
Base-Base interactions energy: -140.256
where: short stacking energy: -76.052
Base-Backbone interact. energy: -0.028
local terms energy: -69.837801
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -7.977
flat angles C4'-P-C4' energy: -16.960
flat angles P-C4'-P energy: -10.308
tors. eta vs tors. theta energy: -19.852
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: 4
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -176.363781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.363781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.363781 (E_RNA)
where:
Base-Base interactions energy: -112.724
where: short stacking energy: -56.098
Base-Backbone interact. energy: -0.024
local terms energy: -63.616041
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -14.259
flat angles P-C4'-P energy: -7.178
tors. eta vs tors. theta energy: -10.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -100.278821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.278821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.278821 (E_RNA)
where:
Base-Base interactions energy: -37.416
where: short stacking energy: -37.416
Base-Backbone interact. energy: -0.253
local terms energy: -62.609858
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -12.865
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -9.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -79.590287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.590287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.590287 (E_RNA)
where:
Base-Base interactions energy: -33.452
where: short stacking energy: -23.353
Base-Backbone interact. energy: -0.324
local terms energy: -45.813470
where:
bonds (distance) C4'-P energy: -12.849
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -5.192
flat angles P-C4'-P energy: -12.691
tors. eta vs tors. theta energy: 0.596
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: 10
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -84.244572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.244572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.244572 (E_RNA)
where:
Base-Base interactions energy: -33.012
where: short stacking energy: -32.275
Base-Backbone interact. energy: -0.233
local terms energy: -51.000040
where:
bonds (distance) C4'-P energy: -12.100
bonds (distance) P-C4' energy: -13.525
flat angles C4'-P-C4' energy: -16.071
flat angles P-C4'-P energy: -7.202
tors. eta vs tors. theta energy: -2.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -84.968307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.968307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.968307 (E_RNA)
where:
Base-Base interactions energy: -39.327
where: short stacking energy: -23.148
Base-Backbone interact. energy: -0.226
local terms energy: -45.414490
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -13.429
flat angles C4'-P-C4' energy: -12.691
flat angles P-C4'-P energy: -4.685
tors. eta vs tors. theta energy: 1.459
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: 5
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -87.942738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.942738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.942738 (E_RNA)
where:
Base-Base interactions energy: -31.524
where: short stacking energy: -30.048
Base-Backbone interact. energy: -0.312
local terms energy: -56.106746
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: -4.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -217.260912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.260912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.260912 (E_RNA)
where:
Base-Base interactions energy: -136.765
where: short stacking energy: -73.580
Base-Backbone interact. energy: -0.019
local terms energy: -80.476088
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -16.891
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -21.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -219.913497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.913497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.913497 (E_RNA)
where:
Base-Base interactions energy: -143.279
where: short stacking energy: -74.868
Base-Backbone interact. energy: -0.470
local terms energy: -76.165018
where:
bonds (distance) C4'-P energy: -15.853
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -14.455
flat angles P-C4'-P energy: -9.514
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: 2
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -210.827060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.827060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.827060 (E_RNA)
where:
Base-Base interactions energy: -137.347
where: short stacking energy: -75.952
Base-Backbone interact. energy: -0.938
local terms energy: -72.542042
where:
bonds (distance) C4'-P energy: -12.901
bonds (distance) P-C4' energy: -13.831
flat angles C4'-P-C4' energy: -17.494
flat angles P-C4'-P energy: -5.288
tors. eta vs tors. theta energy: -23.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -212.578666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.578666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.578666 (E_RNA)
where:
Base-Base interactions energy: -132.644
where: short stacking energy: -72.691
Base-Backbone interact. energy: -0.851
local terms energy: -79.083669
where:
bonds (distance) C4'-P energy: -12.214
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -18.708
flat angles P-C4'-P energy: -12.122
tors. eta vs tors. theta energy: -23.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -185.324920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.324920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.324920 (E_RNA)
where:
Base-Base interactions energy: -124.096
where: short stacking energy: -57.342
Base-Backbone interact. energy: 0.575
local terms energy: -61.803694
where:
bonds (distance) C4'-P energy: -7.682
bonds (distance) P-C4' energy: -15.816
flat angles C4'-P-C4' energy: -12.269
flat angles P-C4'-P energy: -13.122
tors. eta vs tors. theta energy: -12.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -102.322709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.322709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.322709 (E_RNA)
where:
Base-Base interactions energy: -48.219
where: short stacking energy: -38.382
Base-Backbone interact. energy: -0.113
local terms energy: -53.991039
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -15.066
flat angles C4'-P-C4' energy: -13.048
flat angles P-C4'-P energy: -3.375
tors. eta vs tors. theta energy: -8.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -101.682137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.682137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.682137 (E_RNA)
where:
Base-Base interactions energy: -46.952
where: short stacking energy: -39.648
Base-Backbone interact. energy: -0.165
local terms energy: -54.565692
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -10.304
flat angles C4'-P-C4' energy: -14.005
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -6.285
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: 333
Temperature: 1.250000
Total energy: -83.972820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.972820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.972820 (E_RNA)
where:
Base-Base interactions energy: -35.972
where: short stacking energy: -14.836
Base-Backbone interact. energy: -0.247
local terms energy: -47.753006
where:
bonds (distance) C4'-P energy: -9.268
bonds (distance) P-C4' energy: -12.801
flat angles C4'-P-C4' energy: -12.007
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: -4.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -76.729041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.729041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.729041 (E_RNA)
where:
Base-Base interactions energy: -31.965
where: short stacking energy: -25.335
Base-Backbone interact. energy: -0.149
local terms energy: -44.614390
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -12.151
flat angles C4'-P-C4' energy: -6.917
flat angles P-C4'-P energy: -5.772
tors. eta vs tors. theta energy: -4.728
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: 5
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -74.436704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.436704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.436704 (E_RNA)
where:
Base-Base interactions energy: -30.603
where: short stacking energy: -30.408
Base-Backbone interact. energy: -0.460
local terms energy: -43.373167
where:
bonds (distance) C4'-P energy: -8.489
bonds (distance) P-C4' energy: -9.112
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -7.270
tors. eta vs tors. theta energy: -4.444
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: 8
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -224.322895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.322895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.322895 (E_RNA)
where:
Base-Base interactions energy: -146.635
where: short stacking energy: -75.122
Base-Backbone interact. energy: -0.007
local terms energy: -77.681856
where:
bonds (distance) C4'-P energy: -13.648
bonds (distance) P-C4' energy: -13.990
flat angles C4'-P-C4' energy: -19.085
flat angles P-C4'-P energy: -7.877
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: 2, replica: 6
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -213.806493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.806493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.806493 (E_RNA)
where:
Base-Base interactions energy: -129.972
where: short stacking energy: -63.970
Base-Backbone interact. energy: -0.902
local terms energy: -82.932604
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -17.236
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -14.855
tors. eta vs tors. theta energy: -19.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -219.594043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.594043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.594043 (E_RNA)
where:
Base-Base interactions energy: -143.418
where: short stacking energy: -74.933
Base-Backbone interact. energy: -0.001
local terms energy: -76.174682
where:
bonds (distance) C4'-P energy: -10.547
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -17.204
flat angles P-C4'-P energy: -14.219
tors. eta vs tors. theta energy: -17.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -197.898330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.898330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.898330 (E_RNA)
where:
Base-Base interactions energy: -123.983
where: short stacking energy: -61.380
Base-Backbone interact. energy: -0.007
local terms energy: -73.908199
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -13.565
tors. eta vs tors. theta energy: -16.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -168.307525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.307525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.307525 (E_RNA)
where:
Base-Base interactions energy: -106.125
where: short stacking energy: -47.912
Base-Backbone interact. energy: -0.386
local terms energy: -61.796603
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -12.244
flat angles P-C4'-P energy: -11.131
tors. eta vs tors. theta energy: -10.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -104.656484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.656484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.656484 (E_RNA)
where:
Base-Base interactions energy: -49.832
where: short stacking energy: -33.515
Base-Backbone interact. energy: -0.225
local terms energy: -54.600281
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -2.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -88.551361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.551361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.551361 (E_RNA)
where:
Base-Base interactions energy: -37.440
where: short stacking energy: -37.440
Base-Backbone interact. energy: -0.020
local terms energy: -51.091654
where:
bonds (distance) C4'-P energy: -9.308
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -5.753
tors. eta vs tors. theta energy: -6.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -85.031321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.031321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.031321 (E_RNA)
where:
Base-Base interactions energy: -33.126
where: short stacking energy: -33.126
Base-Backbone interact. energy: -0.178
local terms energy: -51.727072
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -12.974
flat angles P-C4'-P energy: -6.197
tors. eta vs tors. theta energy: -0.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -96.836002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.836002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.836002 (E_RNA)
where:
Base-Base interactions energy: -44.127
where: short stacking energy: -43.180
Base-Backbone interact. energy: -0.020
local terms energy: -52.689084
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -11.293
flat angles C4'-P-C4' energy: -11.967
flat angles P-C4'-P energy: -5.307
tors. eta vs tors. theta energy: -10.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -81.776419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.776419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.776419 (E_RNA)
where:
Base-Base interactions energy: -29.487
where: short stacking energy: -29.487
Base-Backbone interact. energy: -0.272
local terms energy: -52.017293
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -15.266
flat angles C4'-P-C4' energy: -13.221
flat angles P-C4'-P energy: -7.877
tors. eta vs tors. theta energy: -3.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -221.624011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.624011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.624011 (E_RNA)
where:
Base-Base interactions energy: -138.626
where: short stacking energy: -76.226
Base-Backbone interact. energy: -0.623
local terms energy: -82.375153
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -13.176
tors. eta vs tors. theta energy: -24.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -223.021952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.021952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.021952 (E_RNA)
where:
Base-Base interactions energy: -147.148
where: short stacking energy: -72.230
Base-Backbone interact. energy: -0.059
local terms energy: -75.814698
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -11.626
flat angles C4'-P-C4' energy: -17.568
flat angles P-C4'-P energy: -11.525
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: 3, replica: 2
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -217.281455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.281455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.281455 (E_RNA)
where:
Base-Base interactions energy: -134.589
where: short stacking energy: -73.324
Base-Backbone interact. energy: -0.064
local terms energy: -82.627999
where:
bonds (distance) C4'-P energy: -16.588
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -13.773
flat angles P-C4'-P energy: -13.060
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: 4, replica: 4
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -182.019125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.019125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.019125 (E_RNA)
where:
Base-Base interactions energy: -117.956
where: short stacking energy: -53.660
Base-Backbone interact. energy: -0.190
local terms energy: -63.873162
where:
bonds (distance) C4'-P energy: -13.911
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -11.965
flat angles P-C4'-P energy: -10.348
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: 5, replica: 9
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -204.221620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.221620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.221620 (E_RNA)
where:
Base-Base interactions energy: -127.331
where: short stacking energy: -60.075
Base-Backbone interact. energy: -0.292
local terms energy: -76.599155
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -10.262
flat angles C4'-P-C4' energy: -16.802
flat angles P-C4'-P energy: -13.603
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: 6, replica: 1
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -96.779299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.779299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.779299 (E_RNA)
where:
Base-Base interactions energy: -44.752
where: short stacking energy: -35.583
Base-Backbone interact. energy: 1.480
local terms energy: -53.507661
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -13.053
flat angles P-C4'-P energy: -5.973
tors. eta vs tors. theta energy: -6.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -82.094262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.094262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.094262 (E_RNA)
where:
Base-Base interactions energy: -30.589
where: short stacking energy: -30.144
Base-Backbone interact. energy: -0.180
local terms energy: -51.325344
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -13.064
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -1.169
tors. eta vs tors. theta energy: -6.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -90.517933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.517933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.517933 (E_RNA)
where:
Base-Base interactions energy: -34.704
where: short stacking energy: -25.270
Base-Backbone interact. energy: -0.087
local terms energy: -55.727313
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -13.895
flat angles C4'-P-C4' energy: -12.840
flat angles P-C4'-P energy: -10.556
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: 9, replica: 7
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -79.949022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.949022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.949022 (E_RNA)
where:
Base-Base interactions energy: -25.518
where: short stacking energy: -24.580
Base-Backbone interact. energy: -0.032
local terms energy: -54.399215
where:
bonds (distance) C4'-P energy: -8.307
bonds (distance) P-C4' energy: -15.481
flat angles C4'-P-C4' energy: -12.270
flat angles P-C4'-P energy: -12.142
tors. eta vs tors. theta energy: -6.200
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: 10, replica: 10
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -82.492633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.492633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.492633 (E_RNA)
where:
Base-Base interactions energy: -31.191
where: short stacking energy: -31.215
Base-Backbone interact. energy: 1.321
local terms energy: -52.622072
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -13.421
flat angles C4'-P-C4' energy: -11.096
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: -5.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -220.144489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.144489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.144489 (E_RNA)
where:
Base-Base interactions energy: -139.756
where: short stacking energy: -71.572
Base-Backbone interact. energy: 0.145
local terms energy: -80.533351
where:
bonds (distance) C4'-P energy: -16.694
bonds (distance) P-C4' energy: -12.384
flat angles C4'-P-C4' energy: -17.364
flat angles P-C4'-P energy: -10.988
tors. eta vs tors. theta energy: -23.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -219.278109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.278109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.278109 (E_RNA)
where:
Base-Base interactions energy: -136.835
where: short stacking energy: -74.111
Base-Backbone interact. energy: -0.561
local terms energy: -81.882017
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -16.796
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -12.088
tors. eta vs tors. theta energy: -22.756
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: 2
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -202.232339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.232339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.232339 (E_RNA)
where:
Base-Base interactions energy: -125.690
where: short stacking energy: -64.900
Base-Backbone interact. energy: -0.001
local terms energy: -76.541368
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -12.807
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -21.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -186.322960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.322960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.322960 (E_RNA)
where:
Base-Base interactions energy: -118.684
where: short stacking energy: -59.051
Base-Backbone interact. energy: -0.728
local terms energy: -66.911203
where:
bonds (distance) C4'-P energy: -12.083
bonds (distance) P-C4' energy: -13.843
flat angles C4'-P-C4' energy: -13.530
flat angles P-C4'-P energy: -12.939
tors. eta vs tors. theta energy: -14.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -196.010855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.010855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.010855 (E_RNA)
where:
Base-Base interactions energy: -124.518
where: short stacking energy: -62.244
Base-Backbone interact. energy: -0.403
local terms energy: -71.089686
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -13.653
flat angles C4'-P-C4' energy: -15.384
flat angles P-C4'-P energy: -10.577
tors. eta vs tors. theta energy: -18.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -86.674676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.674676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.674676 (E_RNA)
where:
Base-Base interactions energy: -35.264
where: short stacking energy: -24.299
Base-Backbone interact. energy: -0.236
local terms energy: -51.174951
where:
bonds (distance) C4'-P energy: -17.824
bonds (distance) P-C4' energy: -13.251
flat angles C4'-P-C4' energy: -14.996
flat angles P-C4'-P energy: -8.461
tors. eta vs tors. theta energy: 3.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -87.102835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.102835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.102835 (E_RNA)
where:
Base-Base interactions energy: -44.455
where: short stacking energy: -29.339
Base-Backbone interact. energy: -0.230
local terms energy: -42.417437
where:
bonds (distance) C4'-P energy: 1.245
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -7.265
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: 8, replica: 3
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -95.326087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.326087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.326087 (E_RNA)
where:
Base-Base interactions energy: -42.420
where: short stacking energy: -36.116
Base-Backbone interact. energy: -0.107
local terms energy: -52.798770
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -11.074
flat angles P-C4'-P energy: -8.716
tors. eta vs tors. theta energy: -2.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -75.804258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.804258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.804258 (E_RNA)
where:
Base-Base interactions energy: -24.618
where: short stacking energy: -23.121
Base-Backbone interact. energy: -0.494
local terms energy: -50.691764
where:
bonds (distance) C4'-P energy: -10.435
bonds (distance) P-C4' energy: -16.179
flat angles C4'-P-C4' energy: -14.521
flat angles P-C4'-P energy: -9.473
tors. eta vs tors. theta energy: -0.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -72.258706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.258706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.258706 (E_RNA)
where:
Base-Base interactions energy: -24.226
where: short stacking energy: -24.226
Base-Backbone interact. energy: -0.017
local terms energy: -48.015434
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -11.409
flat angles P-C4'-P energy: -6.054
tors. eta vs tors. theta energy: -1.931
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: 1, replica: 6
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -222.619668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.619668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.619668 (E_RNA)
where:
Base-Base interactions energy: -146.531
where: short stacking energy: -76.913
Base-Backbone interact. energy: -0.044
local terms energy: -76.045455
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -20.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -219.177054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.177054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.177054 (E_RNA)
where:
Base-Base interactions energy: -146.800
where: short stacking energy: -77.250
Base-Backbone interact. energy: -0.008
local terms energy: -72.368769
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -16.026
flat angles P-C4'-P energy: -8.025
tors. eta vs tors. theta energy: -19.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -212.536823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.536823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.536823 (E_RNA)
where:
Base-Base interactions energy: -135.633
where: short stacking energy: -65.745
Base-Backbone interact. energy: -0.204
local terms energy: -76.700306
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -13.045
flat angles C4'-P-C4' energy: -17.101
flat angles P-C4'-P energy: -10.614
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: 4
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -188.517172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.517172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.517172 (E_RNA)
where:
Base-Base interactions energy: -124.804
where: short stacking energy: -63.027
Base-Backbone interact. energy: -0.189
local terms energy: -63.524119
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -5.777
tors. eta vs tors. theta energy: -14.784
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: 9
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -189.752682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.752682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.752682 (E_RNA)
where:
Base-Base interactions energy: -122.978
where: short stacking energy: -57.756
Base-Backbone interact. energy: -0.424
local terms energy: -66.350197
where:
bonds (distance) C4'-P energy: -8.948
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -11.145
tors. eta vs tors. theta energy: -15.806
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: 5
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -93.447539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.447539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.447539 (E_RNA)
where:
Base-Base interactions energy: -43.638
where: short stacking energy: -25.782
Base-Backbone interact. energy: -0.108
local terms energy: -49.701428
where:
bonds (distance) C4'-P energy: -13.943
bonds (distance) P-C4' energy: -9.321
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -9.410
tors. eta vs tors. theta energy: -2.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -99.265631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.265631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.265631 (E_RNA)
where:
Base-Base interactions energy: -39.106
where: short stacking energy: -39.106
Base-Backbone interact. energy: -0.089
local terms energy: -60.070792
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -13.939
flat angles C4'-P-C4' energy: -16.911
flat angles P-C4'-P energy: -7.489
tors. eta vs tors. theta energy: -8.552
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: 10
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -91.641471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.641471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.641471 (E_RNA)
where:
Base-Base interactions energy: -39.018
where: short stacking energy: -25.352
Base-Backbone interact. energy: -0.006
local terms energy: -52.617579
where:
bonds (distance) C4'-P energy: -10.961
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -12.787
flat angles P-C4'-P energy: -6.174
tors. eta vs tors. theta energy: -6.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -74.109428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.109428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.109428 (E_RNA)
where:
Base-Base interactions energy: -23.391
where: short stacking energy: -21.147
Base-Backbone interact. energy: -0.318
local terms energy: -50.400452
where:
bonds (distance) C4'-P energy: -11.649
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -7.052
tors. eta vs tors. theta energy: -1.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -70.104780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.104780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.104780 (E_RNA)
where:
Base-Base interactions energy: -21.909
where: short stacking energy: -19.507
Base-Backbone interact. energy: -0.297
local terms energy: -47.899293
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -13.559
flat angles C4'-P-C4' energy: -15.477
flat angles P-C4'-P energy: -6.639
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: 338
Temperature: 0.900000
Total energy: -215.040575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.040575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.040575 (E_RNA)
where:
Base-Base interactions energy: -137.270
where: short stacking energy: -73.829
Base-Backbone interact. energy: -0.000
local terms energy: -77.770602
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -13.641
tors. eta vs tors. theta energy: -20.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -218.132770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.132770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.132770 (E_RNA)
where:
Base-Base interactions energy: -141.261
where: short stacking energy: -72.000
Base-Backbone interact. energy: -0.043
local terms energy: -76.828738
where:
bonds (distance) C4'-P energy: -14.321
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -17.051
flat angles P-C4'-P energy: -11.518
tors. eta vs tors. theta energy: -20.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -189.333873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.333873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.333873 (E_RNA)
where:
Base-Base interactions energy: -124.196
where: short stacking energy: -55.685
Base-Backbone interact. energy: -0.095
local terms energy: -65.043480
where:
bonds (distance) C4'-P energy: -10.195
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -13.822
flat angles P-C4'-P energy: -7.060
tors. eta vs tors. theta energy: -17.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -202.421702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.421702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.421702 (E_RNA)
where:
Base-Base interactions energy: -127.573
where: short stacking energy: -63.232
Base-Backbone interact. energy: -0.020
local terms energy: -74.828258
where:
bonds (distance) C4'-P energy: -18.101
bonds (distance) P-C4' energy: -10.987
flat angles C4'-P-C4' energy: -16.668
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: -20.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -200.636081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.636081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.636081 (E_RNA)
where:
Base-Base interactions energy: -129.784
where: short stacking energy: -64.959
Base-Backbone interact. energy: -0.035
local terms energy: -70.816449
where:
bonds (distance) C4'-P energy: -11.171
bonds (distance) P-C4' energy: -15.971
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -11.673
tors. eta vs tors. theta energy: -16.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -102.535436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.535436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.535436 (E_RNA)
where:
Base-Base interactions energy: -41.609
where: short stacking energy: -40.367
Base-Backbone interact. energy: 0.011
local terms energy: -60.938114
where:
bonds (distance) C4'-P energy: -11.173
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -16.958
flat angles P-C4'-P energy: -6.841
tors. eta vs tors. theta energy: -11.468
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: 1
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -97.861838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.861838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.861838 (E_RNA)
where:
Base-Base interactions energy: -41.581
where: short stacking energy: -31.512
Base-Backbone interact. energy: 0.628
local terms energy: -56.909048
where:
bonds (distance) C4'-P energy: -15.799
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -13.355
flat angles P-C4'-P energy: -9.343
tors. eta vs tors. theta energy: -3.402
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: 8, replica: 10
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -87.270468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.270468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.270468 (E_RNA)
where:
Base-Base interactions energy: -52.654
where: short stacking energy: -26.527
Base-Backbone interact. energy: 2.556
local terms energy: -37.172059
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -7.435
flat angles C4'-P-C4' energy: -13.178
flat angles P-C4'-P energy: -4.914
tors. eta vs tors. theta energy: 0.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -85.411067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.411067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.411067 (E_RNA)
where:
Base-Base interactions energy: -45.107
where: short stacking energy: -28.448
Base-Backbone interact. energy: -0.154
local terms energy: -40.150062
where:
bonds (distance) C4'-P energy: -8.961
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -8.165
flat angles P-C4'-P energy: -9.617
tors. eta vs tors. theta energy: 0.125
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: 3
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -82.029310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.029310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.029310 (E_RNA)
where:
Base-Base interactions energy: -31.062
where: short stacking energy: -17.930
Base-Backbone interact. energy: 0.214
local terms energy: -51.181360
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -13.120
flat angles P-C4'-P energy: -4.315
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: 1, replica: 8
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -210.666220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.666220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.666220 (E_RNA)
where:
Base-Base interactions energy: -135.958
where: short stacking energy: -66.850
Base-Backbone interact. energy: -0.073
local terms energy: -74.635301
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -16.499
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -11.254
tors. eta vs tors. theta energy: -18.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -218.527344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.527344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.527344 (E_RNA)
where:
Base-Base interactions energy: -134.119
where: short stacking energy: -69.870
Base-Backbone interact. energy: -0.101
local terms energy: -84.307090
where:
bonds (distance) C4'-P energy: -17.485
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -17.769
flat angles P-C4'-P energy: -13.385
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: 3, replica: 6
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -212.828905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.828905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.828905 (E_RNA)
where:
Base-Base interactions energy: -137.567
where: short stacking energy: -68.005
Base-Backbone interact. energy: -0.012
local terms energy: -75.249927
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -13.307
flat angles C4'-P-C4' energy: -16.675
flat angles P-C4'-P energy: -9.884
tors. eta vs tors. theta energy: -21.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -193.957196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.957196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.957196 (E_RNA)
where:
Base-Base interactions energy: -122.004
where: short stacking energy: -53.702
Base-Backbone interact. energy: 0.427
local terms energy: -72.380173
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -17.771
flat angles C4'-P-C4' energy: -17.662
flat angles P-C4'-P energy: -6.603
tors. eta vs tors. theta energy: -14.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -189.504825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.504825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.504825 (E_RNA)
where:
Base-Base interactions energy: -127.009
where: short stacking energy: -56.788
Base-Backbone interact. energy: -0.375
local terms energy: -62.121082
where:
bonds (distance) C4'-P energy: -9.549
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -8.164
flat angles P-C4'-P energy: -13.697
tors. eta vs tors. theta energy: -14.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -95.409512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.409512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.409512 (E_RNA)
where:
Base-Base interactions energy: -50.295
where: short stacking energy: -41.708
Base-Backbone interact. energy: -0.133
local terms energy: -44.981494
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -7.004
flat angles C4'-P-C4' energy: -7.691
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: -5.966
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: 339
Temperature: 1.200000
Total energy: -90.017279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.017279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.017279 (E_RNA)
where:
Base-Base interactions energy: -36.454
where: short stacking energy: -36.454
Base-Backbone interact. energy: -0.117
local terms energy: -53.446315
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -13.334
flat angles C4'-P-C4' energy: -11.470
flat angles P-C4'-P energy: -7.629
tors. eta vs tors. theta energy: -6.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -91.008257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.008257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.008257 (E_RNA)
where:
Base-Base interactions energy: -41.410
where: short stacking energy: -24.963
Base-Backbone interact. energy: -0.103
local terms energy: -49.494905
where:
bonds (distance) C4'-P energy: -10.015
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -15.826
flat angles P-C4'-P energy: -11.954
tors. eta vs tors. theta energy: 0.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -104.857070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.857070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.857070 (E_RNA)
where:
Base-Base interactions energy: -51.679
where: short stacking energy: -27.293
Base-Backbone interact. energy: -0.186
local terms energy: -52.992200
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -7.950
flat angles P-C4'-P energy: -9.360
tors. eta vs tors. theta energy: -4.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -86.439460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.439460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.439460 (E_RNA)
where:
Base-Base interactions energy: -34.805
where: short stacking energy: -34.805
Base-Backbone interact. energy: -0.177
local terms energy: -51.457342
where:
bonds (distance) C4'-P energy: -10.216
bonds (distance) P-C4' energy: -14.229
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -9.986
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: 1, replica: 4
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -220.026512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.026512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.026512 (E_RNA)
where:
Base-Base interactions energy: -141.581
where: short stacking energy: -71.709
Base-Backbone interact. energy: -0.047
local terms energy: -78.399083
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -14.786
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: 2, replica: 8
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -197.449771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.449771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.449771 (E_RNA)
where:
Base-Base interactions energy: -125.258
where: short stacking energy: -67.845
Base-Backbone interact. energy: -0.117
local terms energy: -72.074769
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -16.446
flat angles P-C4'-P energy: -13.130
tors. eta vs tors. theta energy: -13.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -194.574567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.574567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.574567 (E_RNA)
where:
Base-Base interactions energy: -118.683
where: short stacking energy: -53.292
Base-Backbone interact. energy: -0.694
local terms energy: -75.197861
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -16.327
flat angles P-C4'-P energy: -9.548
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: 6
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -205.360282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.360282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.360282 (E_RNA)
where:
Base-Base interactions energy: -136.172
where: short stacking energy: -73.141
Base-Backbone interact. energy: 0.694
local terms energy: -69.882113
where:
bonds (distance) C4'-P energy: -11.382
bonds (distance) P-C4' energy: -11.264
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -11.229
tors. eta vs tors. theta energy: -19.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -103.142684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.142684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.142684 (E_RNA)
where:
Base-Base interactions energy: -47.431
where: short stacking energy: -28.598
Base-Backbone interact. energy: -0.191
local terms energy: -55.521170
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -14.992
flat angles P-C4'-P energy: -9.565
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: 6, replica: 9
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -175.075514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.075514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.075514 (E_RNA)
where:
Base-Base interactions energy: -110.176
where: short stacking energy: -53.023
Base-Backbone interact. energy: -0.028
local terms energy: -64.871522
where:
bonds (distance) C4'-P energy: -8.902
bonds (distance) P-C4' energy: -15.017
flat angles C4'-P-C4' energy: -17.014
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: -13.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -91.171500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.171500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.171500 (E_RNA)
where:
Base-Base interactions energy: -34.577
where: short stacking energy: -29.051
Base-Backbone interact. energy: -0.294
local terms energy: -56.300552
where:
bonds (distance) C4'-P energy: -9.675
bonds (distance) P-C4' energy: -12.572
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -11.732
tors. eta vs tors. theta energy: -7.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -92.908758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.908758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.908758 (E_RNA)
where:
Base-Base interactions energy: -40.973
where: short stacking energy: -26.220
Base-Backbone interact. energy: -1.345
local terms energy: -50.590697
where:
bonds (distance) C4'-P energy: -10.365
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -10.897
flat angles P-C4'-P energy: -7.638
tors. eta vs tors. theta energy: -4.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -95.733593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.733593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.733593 (E_RNA)
where:
Base-Base interactions energy: -38.662
where: short stacking energy: -30.669
Base-Backbone interact. energy: -0.476
local terms energy: -56.595405
where:
bonds (distance) C4'-P energy: -15.923
bonds (distance) P-C4' energy: -14.365
flat angles C4'-P-C4' energy: -10.261
flat angles P-C4'-P energy: -10.040
tors. eta vs tors. theta energy: -6.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -71.331140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.331140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.331140 (E_RNA)
where:
Base-Base interactions energy: -26.645
where: short stacking energy: -23.562
Base-Backbone interact. energy: -0.767
local terms energy: -43.919497
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -9.975
flat angles P-C4'-P energy: -5.779
tors. eta vs tors. theta energy: 0.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -219.479860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.479860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.479860 (E_RNA)
where:
Base-Base interactions energy: -141.057
where: short stacking energy: -69.946
Base-Backbone interact. energy: 1.188
local terms energy: -79.611139
where:
bonds (distance) C4'-P energy: -13.994
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -14.760
flat angles P-C4'-P energy: -12.644
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: 2
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -197.860903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.860903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.860903 (E_RNA)
where:
Base-Base interactions energy: -125.004
where: short stacking energy: -65.865
Base-Backbone interact. energy: -0.003
local terms energy: -72.853637
where:
bonds (distance) C4'-P energy: -11.478
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -17.431
flat angles P-C4'-P energy: -12.076
tors. eta vs tors. theta energy: -17.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -209.043328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.043328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.043328 (E_RNA)
where:
Base-Base interactions energy: -136.661
where: short stacking energy: -69.480
Base-Backbone interact. energy: -0.016
local terms energy: -72.366407
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -15.888
flat angles P-C4'-P energy: -9.506
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: 6
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -215.708488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.708488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.708488 (E_RNA)
where:
Base-Base interactions energy: -139.166
where: short stacking energy: -74.753
Base-Backbone interact. energy: -0.033
local terms energy: -76.509708
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -22.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -99.463928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.463928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.463928 (E_RNA)
where:
Base-Base interactions energy: -35.508
where: short stacking energy: -23.432
Base-Backbone interact. energy: -0.301
local terms energy: -63.655191
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -17.407
flat angles C4'-P-C4' energy: -13.702
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -6.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -178.367872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.367872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.367872 (E_RNA)
where:
Base-Base interactions energy: -110.493
where: short stacking energy: -50.213
Base-Backbone interact. energy: -0.015
local terms energy: -67.860080
where:
bonds (distance) C4'-P energy: -14.980
bonds (distance) P-C4' energy: -14.245
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -7.367
tors. eta vs tors. theta energy: -15.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -92.666580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.666580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.666580 (E_RNA)
where:
Base-Base interactions energy: -33.092
where: short stacking energy: -32.689
Base-Backbone interact. energy: -0.079
local terms energy: -59.495361
where:
bonds (distance) C4'-P energy: -15.516
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -9.714
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: -7.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -91.640448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.640448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.640448 (E_RNA)
where:
Base-Base interactions energy: -36.812
where: short stacking energy: -24.825
Base-Backbone interact. energy: -0.052
local terms energy: -54.776260
where:
bonds (distance) C4'-P energy: -14.307
bonds (distance) P-C4' energy: -15.858
flat angles C4'-P-C4' energy: -10.768
flat angles P-C4'-P energy: -11.227
tors. eta vs tors. theta energy: -2.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -73.797032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.797032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.797032 (E_RNA)
where:
Base-Base interactions energy: -25.657
where: short stacking energy: -20.624
Base-Backbone interact. energy: -0.194
local terms energy: -47.945572
where:
bonds (distance) C4'-P energy: -11.676
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -10.707
flat angles P-C4'-P energy: -6.983
tors. eta vs tors. theta energy: -5.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -79.878384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.878384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.878384 (E_RNA)
where:
Base-Base interactions energy: -29.343
where: short stacking energy: -29.343
Base-Backbone interact. energy: -0.212
local terms energy: -50.323976
where:
bonds (distance) C4'-P energy: -12.200
bonds (distance) P-C4' energy: -11.031
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -10.329
tors. eta vs tors. theta energy: -2.766
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: 2
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -223.795556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.795556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.795556 (E_RNA)
where:
Base-Base interactions energy: -141.346
where: short stacking energy: -71.879
Base-Backbone interact. energy: -0.475
local terms energy: -81.974101
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -17.819
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -21.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -212.926433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.926433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.926433 (E_RNA)
where:
Base-Base interactions energy: -132.630
where: short stacking energy: -71.082
Base-Backbone interact. energy: -0.081
local terms energy: -80.215931
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -17.374
flat angles P-C4'-P energy: -11.195
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: 3, replica: 6
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -215.284699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.284699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.284699 (E_RNA)
where:
Base-Base interactions energy: -143.871
where: short stacking energy: -72.001
Base-Backbone interact. energy: -0.022
local terms energy: -71.392541
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -11.894
flat angles C4'-P-C4' energy: -12.908
flat angles P-C4'-P energy: -11.029
tors. eta vs tors. theta energy: -17.969
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: 342
Temperature: 1.050000
Total energy: -212.447430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.447430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.447430 (E_RNA)
where:
Base-Base interactions energy: -137.572
where: short stacking energy: -64.382
Base-Backbone interact. energy: 0.197
local terms energy: -75.072899
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -11.154
tors. eta vs tors. theta energy: -16.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -202.534822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.534822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.534822 (E_RNA)
where:
Base-Base interactions energy: -130.825
where: short stacking energy: -68.238
Base-Backbone interact. energy: -0.093
local terms energy: -71.616893
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -15.615
flat angles C4'-P-C4' energy: -15.290
flat angles P-C4'-P energy: -8.891
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: 6, replica: 1
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -102.898137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.898137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.898137 (E_RNA)
where:
Base-Base interactions energy: -50.104
where: short stacking energy: -50.104
Base-Backbone interact. energy: -0.175
local terms energy: -52.619694
where:
bonds (distance) C4'-P energy: -11.519
bonds (distance) P-C4' energy: -15.673
flat angles C4'-P-C4' energy: -3.720
flat angles P-C4'-P energy: -11.649
tors. eta vs tors. theta energy: -10.059
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: 7
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -100.139172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.139172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.139172 (E_RNA)
where:
Base-Base interactions energy: -44.685
where: short stacking energy: -31.726
Base-Backbone interact. energy: -0.018
local terms energy: -55.436041
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -15.300
flat angles P-C4'-P energy: -5.266
tors. eta vs tors. theta energy: -3.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -89.494707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.494707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.494707 (E_RNA)
where:
Base-Base interactions energy: -43.073
where: short stacking energy: -31.904
Base-Backbone interact. energy: -0.293
local terms energy: -46.128665
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -12.526
flat angles C4'-P-C4' energy: -10.583
flat angles P-C4'-P energy: -8.348
tors. eta vs tors. theta energy: -0.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -85.626030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.626030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.626030 (E_RNA)
where:
Base-Base interactions energy: -27.681
where: short stacking energy: -25.326
Base-Backbone interact. energy: -0.217
local terms energy: -57.728360
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -16.891
flat angles P-C4'-P energy: -6.545
tors. eta vs tors. theta energy: -4.316
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: 5
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -83.305757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.305757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.305757 (E_RNA)
where:
Base-Base interactions energy: -24.583
where: short stacking energy: -20.758
Base-Backbone interact. energy: -0.078
local terms energy: -58.645395
where:
bonds (distance) C4'-P energy: -17.816
bonds (distance) P-C4' energy: -15.384
flat angles C4'-P-C4' energy: -11.324
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -4.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -219.940046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.940046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.940046 (E_RNA)
where:
Base-Base interactions energy: -142.992
where: short stacking energy: -68.731
Base-Backbone interact. energy: -0.057
local terms energy: -76.890688
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -15.481
flat angles C4'-P-C4' energy: -16.628
flat angles P-C4'-P energy: -10.900
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: 2, replica: 4
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -223.279402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.279402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.279402 (E_RNA)
where:
Base-Base interactions energy: -142.519
where: short stacking energy: -77.990
Base-Backbone interact. energy: -0.591
local terms energy: -80.168576
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -16.802
flat angles P-C4'-P energy: -12.302
tors. eta vs tors. theta energy: -22.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -221.258807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.258807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.258807 (E_RNA)
where:
Base-Base interactions energy: -143.458
where: short stacking energy: -77.809
Base-Backbone interact. energy: -0.008
local terms energy: -77.793329
where:
bonds (distance) C4'-P energy: -11.300
bonds (distance) P-C4' energy: -15.495
flat angles C4'-P-C4' energy: -16.554
flat angles P-C4'-P energy: -9.882
tors. eta vs tors. theta energy: -24.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -211.615969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.615969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.615969 (E_RNA)
where:
Base-Base interactions energy: -141.306
where: short stacking energy: -69.413
Base-Backbone interact. energy: -0.027
local terms energy: -70.283384
where:
bonds (distance) C4'-P energy: -9.265
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -17.219
flat angles P-C4'-P energy: -8.758
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: 5, replica: 8
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -185.657538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.657538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.657538 (E_RNA)
where:
Base-Base interactions energy: -118.915
where: short stacking energy: -61.785
Base-Backbone interact. energy: -0.100
local terms energy: -66.643126
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -13.077
flat angles C4'-P-C4' energy: -15.756
flat angles P-C4'-P energy: -7.797
tors. eta vs tors. theta energy: -14.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -89.403116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.403116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.403116 (E_RNA)
where:
Base-Base interactions energy: -27.050
where: short stacking energy: -27.050
Base-Backbone interact. energy: -0.025
local terms energy: -62.328939
where:
bonds (distance) C4'-P energy: -16.975
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -15.231
flat angles P-C4'-P energy: -7.070
tors. eta vs tors. theta energy: -6.464
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: 343
Temperature: 1.200000
Total energy: -93.799325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.799325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.799325 (E_RNA)
where:
Base-Base interactions energy: -36.041
where: short stacking energy: -34.966
Base-Backbone interact. energy: -0.388
local terms energy: -57.370521
where:
bonds (distance) C4'-P energy: -16.951
bonds (distance) P-C4' energy: -12.948
flat angles C4'-P-C4' energy: -13.530
flat angles P-C4'-P energy: -8.122
tors. eta vs tors. theta energy: -5.819
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: 3
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -97.486550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.486550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.486550 (E_RNA)
where:
Base-Base interactions energy: -55.230
where: short stacking energy: -30.001
Base-Backbone interact. energy: -0.049
local terms energy: -42.208073
where:
bonds (distance) C4'-P energy: -8.335
bonds (distance) P-C4' energy: -9.942
flat angles C4'-P-C4' energy: -14.596
flat angles P-C4'-P energy: -5.969
tors. eta vs tors. theta energy: -3.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -74.115839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.115839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.115839 (E_RNA)
where:
Base-Base interactions energy: -23.544
where: short stacking energy: -13.543
Base-Backbone interact. energy: -0.570
local terms energy: -50.002531
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -15.693
flat angles C4'-P-C4' energy: -8.496
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: -0.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -67.897123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.897123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.897123 (E_RNA)
where:
Base-Base interactions energy: -24.178
where: short stacking energy: -20.195
Base-Backbone interact. energy: -0.468
local terms energy: -43.251517
where:
bonds (distance) C4'-P energy: -10.403
bonds (distance) P-C4' energy: -14.644
flat angles C4'-P-C4' energy: -11.970
flat angles P-C4'-P energy: -5.359
tors. eta vs tors. theta energy: -0.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -216.445308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.445308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.445308 (E_RNA)
where:
Base-Base interactions energy: -134.674
where: short stacking energy: -66.580
Base-Backbone interact. energy: -0.069
local terms energy: -81.703019
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -17.952
flat angles P-C4'-P energy: -13.798
tors. eta vs tors. theta energy: -18.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -222.703100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.703100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.703100 (E_RNA)
where:
Base-Base interactions energy: -144.615
where: short stacking energy: -73.464
Base-Backbone interact. energy: -0.071
local terms energy: -78.017526
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -12.086
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -11.790
tors. eta vs tors. theta energy: -23.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -218.245427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.245427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.245427 (E_RNA)
where:
Base-Base interactions energy: -143.194
where: short stacking energy: -63.059
Base-Backbone interact. energy: -0.379
local terms energy: -74.673000
where:
bonds (distance) C4'-P energy: -10.397
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -14.941
tors. eta vs tors. theta energy: -19.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -214.780559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.780559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.780559 (E_RNA)
where:
Base-Base interactions energy: -136.697
where: short stacking energy: -72.568
Base-Backbone interact. energy: -0.657
local terms energy: -77.426691
where:
bonds (distance) C4'-P energy: -13.771
bonds (distance) P-C4' energy: -13.617
flat angles C4'-P-C4' energy: -17.805
flat angles P-C4'-P energy: -12.794
tors. eta vs tors. theta energy: -19.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -189.361745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.361745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.361745 (E_RNA)
where:
Base-Base interactions energy: -118.189
where: short stacking energy: -59.587
Base-Backbone interact. energy: 0.359
local terms energy: -71.532083
where:
bonds (distance) C4'-P energy: -11.807
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -15.522
flat angles P-C4'-P energy: -11.858
tors. eta vs tors. theta energy: -15.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -89.604759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.604759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.604759 (E_RNA)
where:
Base-Base interactions energy: -41.131
where: short stacking energy: -24.803
Base-Backbone interact. energy: -0.546
local terms energy: -47.927641
where:
bonds (distance) C4'-P energy: -12.957
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -12.281
flat angles P-C4'-P energy: -6.545
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: 7, replica: 1
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -100.607787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.607787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.607787 (E_RNA)
where:
Base-Base interactions energy: -41.097
where: short stacking energy: -29.757
Base-Backbone interact. energy: -0.005
local terms energy: -59.505511
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -17.619
flat angles C4'-P-C4' energy: -11.702
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -3.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -107.696266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.696266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.696266 (E_RNA)
where:
Base-Base interactions energy: -62.865
where: short stacking energy: -17.279
Base-Backbone interact. energy: -1.564
local terms energy: -43.267695
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -11.505
flat angles C4'-P-C4' energy: -12.703
flat angles P-C4'-P energy: -8.181
tors. eta vs tors. theta energy: 1.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -76.937634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.937634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.937634 (E_RNA)
where:
Base-Base interactions energy: -38.674
where: short stacking energy: -34.918
Base-Backbone interact. energy: -0.150
local terms energy: -38.114485
where:
bonds (distance) C4'-P energy: -11.809
bonds (distance) P-C4' energy: -12.171
flat angles C4'-P-C4' energy: -9.776
flat angles P-C4'-P energy: -0.276
tors. eta vs tors. theta energy: -4.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -81.897476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.897476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.897476 (E_RNA)
where:
Base-Base interactions energy: -35.549
where: short stacking energy: -26.073
Base-Backbone interact. energy: -0.397
local terms energy: -45.950925
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -13.720
flat angles C4'-P-C4' energy: -8.754
flat angles P-C4'-P energy: -7.467
tors. eta vs tors. theta energy: -1.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -215.721256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.721256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.721256 (E_RNA)
where:
Base-Base interactions energy: -144.169
where: short stacking energy: -72.376
Base-Backbone interact. energy: -0.014
local terms energy: -71.538746
where:
bonds (distance) C4'-P energy: -11.789
bonds (distance) P-C4' energy: -16.088
flat angles C4'-P-C4' energy: -10.641
flat angles P-C4'-P energy: -10.542
tors. eta vs tors. theta energy: -22.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -217.480281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.480281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.480281 (E_RNA)
where:
Base-Base interactions energy: -138.601
where: short stacking energy: -66.729
Base-Backbone interact. energy: -0.347
local terms energy: -78.531533
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -17.444
flat angles P-C4'-P energy: -9.986
tors. eta vs tors. theta energy: -21.496
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: 3, replica: 2
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -219.115922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.115922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.115922 (E_RNA)
where:
Base-Base interactions energy: -142.639
where: short stacking energy: -70.542
Base-Backbone interact. energy: -0.055
local terms energy: -76.422232
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -11.414
tors. eta vs tors. theta energy: -18.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -197.748096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.748096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.748096 (E_RNA)
where:
Base-Base interactions energy: -133.094
where: short stacking energy: -69.426
Base-Backbone interact. energy: -0.276
local terms energy: -64.378210
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -9.875
flat angles C4'-P-C4' energy: -15.828
flat angles P-C4'-P energy: -8.452
tors. eta vs tors. theta energy: -17.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -184.818205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.818205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.818205 (E_RNA)
where:
Base-Base interactions energy: -123.795
where: short stacking energy: -59.774
Base-Backbone interact. energy: -0.044
local terms energy: -60.979858
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -12.557
flat angles P-C4'-P energy: -2.353
tors. eta vs tors. theta energy: -16.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -91.796546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.796546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.796546 (E_RNA)
where:
Base-Base interactions energy: -33.031
where: short stacking energy: -31.124
Base-Backbone interact. energy: -0.100
local terms energy: -58.664769
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -13.237
flat angles P-C4'-P energy: -8.102
tors. eta vs tors. theta energy: -5.196
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: 345
Temperature: 1.200000
Total energy: -90.659093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.659093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.659093 (E_RNA)
where:
Base-Base interactions energy: -43.596
where: short stacking energy: -33.188
Base-Backbone interact. energy: -0.728
local terms energy: -46.335524
where:
bonds (distance) C4'-P energy: -12.831
bonds (distance) P-C4' energy: -14.416
flat angles C4'-P-C4' energy: -10.421
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: 2.180
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: 5
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -87.614155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.614155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.614155 (E_RNA)
where:
Base-Base interactions energy: -31.700
where: short stacking energy: -31.700
Base-Backbone interact. energy: 0.386
local terms energy: -56.300190
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -13.644
flat angles C4'-P-C4' energy: -8.681
flat angles P-C4'-P energy: -12.279
tors. eta vs tors. theta energy: -6.065
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: 3
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -70.837180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.837180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.837180 (E_RNA)
where:
Base-Base interactions energy: -25.045
where: short stacking energy: -19.479
Base-Backbone interact. energy: -0.731
local terms energy: -45.060383
where:
bonds (distance) C4'-P energy: -10.372
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -12.176
flat angles P-C4'-P energy: -7.770
tors. eta vs tors. theta energy: -0.383
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: 10, replica: 10
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -78.651300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.651300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.651300 (E_RNA)
where:
Base-Base interactions energy: -34.159
where: short stacking energy: -25.995
Base-Backbone interact. energy: -0.052
local terms energy: -44.440085
where:
bonds (distance) C4'-P energy: -9.967
bonds (distance) P-C4' energy: -14.407
flat angles C4'-P-C4' energy: -11.647
flat angles P-C4'-P energy: -7.283
tors. eta vs tors. theta energy: -1.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -227.388659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.388659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.388659 (E_RNA)
where:
Base-Base interactions energy: -146.852
where: short stacking energy: -75.818
Base-Backbone interact. energy: -0.077
local terms energy: -80.459211
where:
bonds (distance) C4'-P energy: -14.083
bonds (distance) P-C4' energy: -13.239
flat angles C4'-P-C4' energy: -17.983
flat angles P-C4'-P energy: -12.972
tors. eta vs tors. theta energy: -22.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -212.897031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.897031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.897031 (E_RNA)
where:
Base-Base interactions energy: -138.474
where: short stacking energy: -70.066
Base-Backbone interact. energy: -0.064
local terms energy: -74.359559
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -16.512
flat angles C4'-P-C4' energy: -16.218
flat angles P-C4'-P energy: -10.939
tors. eta vs tors. theta energy: -14.580
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: 2
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -217.554174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.554174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.554174 (E_RNA)
where:
Base-Base interactions energy: -134.596
where: short stacking energy: -67.649
Base-Backbone interact. energy: -0.006
local terms energy: -82.952347
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -17.502
flat angles P-C4'-P energy: -14.031
tors. eta vs tors. theta energy: -20.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -176.518111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.518111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.518111 (E_RNA)
where:
Base-Base interactions energy: -111.571
where: short stacking energy: -51.230
Base-Backbone interact. energy: -0.484
local terms energy: -64.463257
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -15.059
flat angles C4'-P-C4' energy: -15.271
flat angles P-C4'-P energy: -6.556
tors. eta vs tors. theta energy: -11.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -179.090018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.090018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.090018 (E_RNA)
where:
Base-Base interactions energy: -113.014
where: short stacking energy: -59.860
Base-Backbone interact. energy: 0.076
local terms energy: -66.152443
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -15.498
flat angles P-C4'-P energy: -9.091
tors. eta vs tors. theta energy: -12.560
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: 346
Temperature: 1.150000
Total energy: -93.552219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.552219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.552219 (E_RNA)
where:
Base-Base interactions energy: -39.109
where: short stacking energy: -39.109
Base-Backbone interact. energy: -1.011
local terms energy: -53.432675
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -11.324
flat angles P-C4'-P energy: -7.275
tors. eta vs tors. theta energy: -8.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -94.119774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.119774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.119774 (E_RNA)
where:
Base-Base interactions energy: -36.022
where: short stacking energy: -36.022
Base-Backbone interact. energy: -0.073
local terms energy: -58.025464
where:
bonds (distance) C4'-P energy: -15.618
bonds (distance) P-C4' energy: -10.463
flat angles C4'-P-C4' energy: -10.999
flat angles P-C4'-P energy: -8.789
tors. eta vs tors. theta energy: -12.156
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: 5
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -95.817769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.817769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.817769 (E_RNA)
where:
Base-Base interactions energy: -45.795
where: short stacking energy: -24.368
Base-Backbone interact. energy: 0.323
local terms energy: -50.345710
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -14.111
flat angles C4'-P-C4' energy: -12.333
flat angles P-C4'-P energy: -10.004
tors. eta vs tors. theta energy: 2.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -81.303037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.303037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.303037 (E_RNA)
where:
Base-Base interactions energy: -25.546
where: short stacking energy: -21.752
Base-Backbone interact. energy: -0.233
local terms energy: -55.524299
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -10.202
flat angles P-C4'-P energy: -11.923
tors. eta vs tors. theta energy: -3.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -75.067790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.067790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.067790 (E_RNA)
where:
Base-Base interactions energy: -33.090
where: short stacking energy: -32.370
Base-Backbone interact. energy: -0.868
local terms energy: -41.110137
where:
bonds (distance) C4'-P energy: -5.112
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -11.633
flat angles P-C4'-P energy: -2.754
tors. eta vs tors. theta energy: -6.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -219.555317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.555317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.555317 (E_RNA)
where:
Base-Base interactions energy: -143.422
where: short stacking energy: -68.063
Base-Backbone interact. energy: -0.086
local terms energy: -76.047197
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -15.631
flat angles P-C4'-P energy: -12.906
tors. eta vs tors. theta energy: -16.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -222.859685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.859685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.859685 (E_RNA)
where:
Base-Base interactions energy: -147.199
where: short stacking energy: -65.241
Base-Backbone interact. energy: 0.155
local terms energy: -75.815884
where:
bonds (distance) C4'-P energy: -13.377
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -15.454
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: -17.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -198.966802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.966802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.966802 (E_RNA)
where:
Base-Base interactions energy: -124.499
where: short stacking energy: -62.633
Base-Backbone interact. energy: -0.034
local terms energy: -74.434444
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -12.605
tors. eta vs tors. theta energy: -17.034
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: 8
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -204.578038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.578038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.578038 (E_RNA)
where:
Base-Base interactions energy: -127.933
where: short stacking energy: -67.297
Base-Backbone interact. energy: -0.102
local terms energy: -76.542204
where:
bonds (distance) C4'-P energy: -16.410
bonds (distance) P-C4' energy: -13.525
flat angles C4'-P-C4' energy: -15.387
flat angles P-C4'-P energy: -10.196
tors. eta vs tors. theta energy: -21.024
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: 6
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -202.430587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.430587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.430587 (E_RNA)
where:
Base-Base interactions energy: -126.876
where: short stacking energy: -56.499
Base-Backbone interact. energy: -0.022
local terms energy: -75.532698
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -15.123
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -8.323
tors. eta vs tors. theta energy: -21.627
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: 7
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -89.326229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.326229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.326229 (E_RNA)
where:
Base-Base interactions energy: -32.224
where: short stacking energy: -32.224
Base-Backbone interact. energy: -0.250
local terms energy: -56.851873
where:
bonds (distance) C4'-P energy: -11.300
bonds (distance) P-C4' energy: -14.052
flat angles C4'-P-C4' energy: -16.939
flat angles P-C4'-P energy: -9.303
tors. eta vs tors. theta energy: -5.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -100.268500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.268500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.268500 (E_RNA)
where:
Base-Base interactions energy: -49.398
where: short stacking energy: -30.231
Base-Backbone interact. energy: -0.200
local terms energy: -50.671091
where:
bonds (distance) C4'-P energy: -8.603
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -10.698
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -3.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -81.146432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.146432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.146432 (E_RNA)
where:
Base-Base interactions energy: -29.503
where: short stacking energy: -20.777
Base-Backbone interact. energy: -0.101
local terms energy: -51.542896
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -15.845
flat angles C4'-P-C4' energy: -12.326
flat angles P-C4'-P energy: -8.336
tors. eta vs tors. theta energy: -1.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -90.858309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.858309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.858309 (E_RNA)
where:
Base-Base interactions energy: -38.488
where: short stacking energy: -37.058
Base-Backbone interact. energy: 0.215
local terms energy: -52.585250
where:
bonds (distance) C4'-P energy: -10.865
bonds (distance) P-C4' energy: -11.769
flat angles C4'-P-C4' energy: -13.821
flat angles P-C4'-P energy: -6.362
tors. eta vs tors. theta energy: -9.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -73.186670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.186670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.186670 (E_RNA)
where:
Base-Base interactions energy: -22.351
where: short stacking energy: -22.351
Base-Backbone interact. energy: -0.163
local terms energy: -50.673001
where:
bonds (distance) C4'-P energy: -14.644
bonds (distance) P-C4' energy: -15.713
flat angles C4'-P-C4' energy: -16.374
flat angles P-C4'-P energy: -4.632
tors. eta vs tors. theta energy: 0.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -222.576273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.576273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.576273 (E_RNA)
where:
Base-Base interactions energy: -142.548
where: short stacking energy: -73.650
Base-Backbone interact. energy: -0.026
local terms energy: -80.002860
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -13.421
flat angles C4'-P-C4' energy: -17.989
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -22.077
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: 2
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -217.160436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.160436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.160436 (E_RNA)
where:
Base-Base interactions energy: -140.350
where: short stacking energy: -68.010
Base-Backbone interact. energy: -0.050
local terms energy: -76.760552
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -15.671
flat angles P-C4'-P energy: -9.338
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: 3, replica: 8
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -209.153682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.153682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.153682 (E_RNA)
where:
Base-Base interactions energy: -137.492
where: short stacking energy: -63.577
Base-Backbone interact. energy: -0.115
local terms energy: -71.546507
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -12.786
flat angles C4'-P-C4' energy: -13.881
flat angles P-C4'-P energy: -14.017
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: 4, replica: 4
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -209.124208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.124208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.124208 (E_RNA)
where:
Base-Base interactions energy: -136.019
where: short stacking energy: -69.207
Base-Backbone interact. energy: -0.060
local terms energy: -73.044847
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -16.022
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -7.647
tors. eta vs tors. theta energy: -17.340
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: 6
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -206.468973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.468973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.468973 (E_RNA)
where:
Base-Base interactions energy: -134.188
where: short stacking energy: -67.093
Base-Backbone interact. energy: -0.194
local terms energy: -72.086427
where:
bonds (distance) C4'-P energy: -11.671
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -14.937
flat angles P-C4'-P energy: -10.359
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: 6, replica: 7
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -103.862258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.862258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.862258 (E_RNA)
where:
Base-Base interactions energy: -49.280
where: short stacking energy: -42.209
Base-Backbone interact. energy: -0.149
local terms energy: -54.433177
where:
bonds (distance) C4'-P energy: -6.796
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -12.651
flat angles P-C4'-P energy: -8.886
tors. eta vs tors. theta energy: -10.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -89.122227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.122227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.122227 (E_RNA)
where:
Base-Base interactions energy: -40.594
where: short stacking energy: -27.656
Base-Backbone interact. energy: -0.132
local terms energy: -48.396217
where:
bonds (distance) C4'-P energy: -12.467
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -9.809
flat angles P-C4'-P energy: -12.247
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: 8, replica: 1
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -90.017469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.017469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.017469 (E_RNA)
where:
Base-Base interactions energy: -33.252
where: short stacking energy: -33.252
Base-Backbone interact. energy: -0.114
local terms energy: -56.651535
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -14.627
flat angles P-C4'-P energy: -9.410
tors. eta vs tors. theta energy: -3.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -81.227504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.227504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.227504 (E_RNA)
where:
Base-Base interactions energy: -37.311
where: short stacking energy: -20.327
Base-Backbone interact. energy: -0.031
local terms energy: -43.885628
where:
bonds (distance) C4'-P energy: -11.425
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -13.519
flat angles P-C4'-P energy: -4.682
tors. eta vs tors. theta energy: 0.193
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: 3
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -78.950862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.950862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.950862 (E_RNA)
where:
Base-Base interactions energy: -25.583
where: short stacking energy: -25.583
Base-Backbone interact. energy: -0.157
local terms energy: -53.210742
where:
bonds (distance) C4'-P energy: -13.876
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -10.571
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -2.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -218.351533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.351533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.351533 (E_RNA)
where:
Base-Base interactions energy: -139.030
where: short stacking energy: -76.572
Base-Backbone interact. energy: 1.498
local terms energy: -80.819566
where:
bonds (distance) C4'-P energy: -15.093
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -15.714
flat angles P-C4'-P energy: -12.936
tors. eta vs tors. theta energy: -24.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -213.331984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.331984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.331984 (E_RNA)
where:
Base-Base interactions energy: -135.392
where: short stacking energy: -69.653
Base-Backbone interact. energy: -0.006
local terms energy: -77.934271
where:
bonds (distance) C4'-P energy: -14.039
bonds (distance) P-C4' energy: -14.800
flat angles C4'-P-C4' energy: -17.900
flat angles P-C4'-P energy: -10.912
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: 3, replica: 8
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -211.675130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.675130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.675130 (E_RNA)
where:
Base-Base interactions energy: -138.879
where: short stacking energy: -59.745
Base-Backbone interact. energy: -0.329
local terms energy: -72.466315
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -13.372
flat angles C4'-P-C4' energy: -16.681
flat angles P-C4'-P energy: -10.943
tors. eta vs tors. theta energy: -16.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -199.352643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.352643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.352643 (E_RNA)
where:
Base-Base interactions energy: -130.170
where: short stacking energy: -57.122
Base-Backbone interact. energy: -0.165
local terms energy: -69.017138
where:
bonds (distance) C4'-P energy: -9.425
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -14.464
tors. eta vs tors. theta energy: -14.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -184.918301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.918301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.918301 (E_RNA)
where:
Base-Base interactions energy: -113.748
where: short stacking energy: -55.253
Base-Backbone interact. energy: -0.071
local terms energy: -71.099343
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -17.560
flat angles C4'-P-C4' energy: -15.488
flat angles P-C4'-P energy: -11.168
tors. eta vs tors. theta energy: -13.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -162.691556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.691556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.691556 (E_RNA)
where:
Base-Base interactions energy: -97.128
where: short stacking energy: -40.486
Base-Backbone interact. energy: -0.248
local terms energy: -65.315616
where:
bonds (distance) C4'-P energy: -11.337
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -12.917
flat angles P-C4'-P energy: -10.278
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: 7, replica: 7
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -89.328094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.328094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.328094 (E_RNA)
where:
Base-Base interactions energy: -35.044
where: short stacking energy: -34.915
Base-Backbone interact. energy: -0.226
local terms energy: -54.057402
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -10.842
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -8.813
tors. eta vs tors. theta energy: -2.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -80.028900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.028900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.028900 (E_RNA)
where:
Base-Base interactions energy: -28.359
where: short stacking energy: -26.333
Base-Backbone interact. energy: -0.043
local terms energy: -51.626924
where:
bonds (distance) C4'-P energy: -14.663
bonds (distance) P-C4' energy: -15.858
flat angles C4'-P-C4' energy: -7.239
flat angles P-C4'-P energy: -11.882
tors. eta vs tors. theta energy: -1.985
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: 1
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -87.482098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.482098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.482098 (E_RNA)
where:
Base-Base interactions energy: -33.898
where: short stacking energy: -30.572
Base-Backbone interact. energy: 0.665
local terms energy: -54.249093
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -14.751
flat angles C4'-P-C4' energy: -13.695
flat angles P-C4'-P energy: -7.299
tors. eta vs tors. theta energy: -4.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -81.294152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.294152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.294152 (E_RNA)
where:
Base-Base interactions energy: -31.433
where: short stacking energy: -25.596
Base-Backbone interact. energy: -1.052
local terms energy: -48.809050
where:
bonds (distance) C4'-P energy: -11.850
bonds (distance) P-C4' energy: -18.229
flat angles C4'-P-C4' energy: -11.910
flat angles P-C4'-P energy: -6.206
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: 1, replica: 9
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -219.811746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.811746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.811746 (E_RNA)
where:
Base-Base interactions energy: -140.320
where: short stacking energy: -75.686
Base-Backbone interact. energy: -0.028
local terms energy: -79.463983
where:
bonds (distance) C4'-P energy: -16.620
bonds (distance) P-C4' energy: -14.658
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -11.738
tors. eta vs tors. theta energy: -20.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -216.655971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.655971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.655971 (E_RNA)
where:
Base-Base interactions energy: -132.521
where: short stacking energy: -73.713
Base-Backbone interact. energy: -0.007
local terms energy: -84.128524
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -17.439
flat angles C4'-P-C4' energy: -17.511
flat angles P-C4'-P energy: -12.326
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: 3, replica: 8
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -209.172631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.172631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.172631 (E_RNA)
where:
Base-Base interactions energy: -131.890
where: short stacking energy: -71.866
Base-Backbone interact. energy: -0.506
local terms energy: -76.776459
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -15.042
flat angles P-C4'-P energy: -10.985
tors. eta vs tors. theta energy: -21.307
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: 6
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -213.856805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.856805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.856805 (E_RNA)
where:
Base-Base interactions energy: -132.213
where: short stacking energy: -69.489
Base-Backbone interact. energy: -0.694
local terms energy: -80.950290
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -13.822
flat angles C4'-P-C4' energy: -16.144
flat angles P-C4'-P energy: -13.827
tors. eta vs tors. theta energy: -21.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -167.530060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.530060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.530060 (E_RNA)
where:
Base-Base interactions energy: -101.507
where: short stacking energy: -54.491
Base-Backbone interact. energy: -0.039
local terms energy: -65.983576
where:
bonds (distance) C4'-P energy: -16.787
bonds (distance) P-C4' energy: -11.770
flat angles C4'-P-C4' energy: -11.224
flat angles P-C4'-P energy: -9.123
tors. eta vs tors. theta energy: -17.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -149.012090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.012090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.012090 (E_RNA)
where:
Base-Base interactions energy: -98.235
where: short stacking energy: -52.218
Base-Backbone interact. energy: -0.009
local terms energy: -50.768332
where:
bonds (distance) C4'-P energy: -8.662
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -10.179
flat angles P-C4'-P energy: -5.740
tors. eta vs tors. theta energy: -10.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -92.963819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.963819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.963819 (E_RNA)
where:
Base-Base interactions energy: -39.626
where: short stacking energy: -40.487
Base-Backbone interact. energy: -0.363
local terms energy: -52.974234
where:
bonds (distance) C4'-P energy: -9.245
bonds (distance) P-C4' energy: -15.884
flat angles C4'-P-C4' energy: -11.161
flat angles P-C4'-P energy: -7.232
tors. eta vs tors. theta energy: -9.453
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: 7
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -75.992585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.992585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.992585 (E_RNA)
where:
Base-Base interactions energy: -25.217
where: short stacking energy: -20.566
Base-Backbone interact. energy: -1.653
local terms energy: -49.122180
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -16.672
flat angles C4'-P-C4' energy: -15.011
flat angles P-C4'-P energy: -8.050
tors. eta vs tors. theta energy: 2.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -80.280162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.280162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.280162 (E_RNA)
where:
Base-Base interactions energy: -31.263
where: short stacking energy: -28.533
Base-Backbone interact. energy: 1.647
local terms energy: -50.664237
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -14.974
flat angles P-C4'-P energy: -7.460
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: 10, replica: 1
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -77.791759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.791759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.791759 (E_RNA)
where:
Base-Base interactions energy: -32.950
where: short stacking energy: -18.669
Base-Backbone interact. energy: -0.888
local terms energy: -43.953516
where:
bonds (distance) C4'-P energy: -12.383
bonds (distance) P-C4' energy: -13.653
flat angles C4'-P-C4' energy: -10.539
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: 1.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -222.837020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.837020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.837020 (E_RNA)
where:
Base-Base interactions energy: -142.009
where: short stacking energy: -73.430
Base-Backbone interact. energy: -0.002
local terms energy: -80.825680
where:
bonds (distance) C4'-P energy: -15.037
bonds (distance) P-C4' energy: -15.753
flat angles C4'-P-C4' energy: -15.344
flat angles P-C4'-P energy: -14.264
tors. eta vs tors. theta energy: -20.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -219.291470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.291470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.291470 (E_RNA)
where:
Base-Base interactions energy: -142.524
where: short stacking energy: -74.105
Base-Backbone interact. energy: -0.998
local terms energy: -75.769162
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -13.689
flat angles C4'-P-C4' energy: -15.626
flat angles P-C4'-P energy: -10.658
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: 2
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -218.703205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.703205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.703205 (E_RNA)
where:
Base-Base interactions energy: -149.888
where: short stacking energy: -76.442
Base-Backbone interact. energy: -0.002
local terms energy: -68.812887
where:
bonds (distance) C4'-P energy: -10.399
bonds (distance) P-C4' energy: -8.364
flat angles C4'-P-C4' energy: -16.366
flat angles P-C4'-P energy: -11.793
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: 6
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -216.434043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.434043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.434043 (E_RNA)
where:
Base-Base interactions energy: -139.671
where: short stacking energy: -75.551
Base-Backbone interact. energy: -0.022
local terms energy: -76.740956
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -12.610
tors. eta vs tors. theta energy: -19.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -137.968900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.968900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.968900 (E_RNA)
where:
Base-Base interactions energy: -86.434
where: short stacking energy: -44.532
Base-Backbone interact. energy: -0.147
local terms energy: -51.387847
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -10.550
flat angles C4'-P-C4' energy: -17.774
flat angles P-C4'-P energy: -7.280
tors. eta vs tors. theta energy: -3.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -146.669692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.669692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.669692 (E_RNA)
where:
Base-Base interactions energy: -89.796
where: short stacking energy: -39.644
Base-Backbone interact. energy: -0.708
local terms energy: -56.165465
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -15.013
flat angles C4'-P-C4' energy: -7.774
flat angles P-C4'-P energy: -11.098
tors. eta vs tors. theta energy: -6.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -90.121251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.121251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.121251 (E_RNA)
where:
Base-Base interactions energy: -40.081
where: short stacking energy: -24.367
Base-Backbone interact. energy: -0.547
local terms energy: -49.493810
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -12.180
flat angles P-C4'-P energy: -13.805
tors. eta vs tors. theta energy: 3.089
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: 8, replica: 3
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -80.309158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.309158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.309158 (E_RNA)
where:
Base-Base interactions energy: -37.800
where: short stacking energy: -26.885
Base-Backbone interact. energy: 0.146
local terms energy: -42.654915
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -12.379
flat angles C4'-P-C4' energy: -11.193
flat angles P-C4'-P energy: -8.710
tors. eta vs tors. theta energy: 2.861
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: 7
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -89.929055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.929055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.929055 (E_RNA)
where:
Base-Base interactions energy: -36.970
where: short stacking energy: -34.768
Base-Backbone interact. energy: -0.222
local terms energy: -52.736547
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -12.750
flat angles C4'-P-C4' energy: -14.059
flat angles P-C4'-P energy: -10.216
tors. eta vs tors. theta energy: -3.248
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: 10, replica: 1
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -78.376679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.376679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.376679 (E_RNA)
where:
Base-Base interactions energy: -27.333
where: short stacking energy: -27.495
Base-Backbone interact. energy: -0.137
local terms energy: -50.906735
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -14.813
flat angles C4'-P-C4' energy: -12.401
flat angles P-C4'-P energy: -7.298
tors. eta vs tors. theta energy: -3.481
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: 352
Temperature: 0.900000
Total energy: -224.174150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.174150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.174150 (E_RNA)
where:
Base-Base interactions energy: -139.835
where: short stacking energy: -69.577
Base-Backbone interact. energy: -0.028
local terms energy: -84.310828
where:
bonds (distance) C4'-P energy: -17.418
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -18.173
flat angles P-C4'-P energy: -8.870
tors. eta vs tors. theta energy: -22.558
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: 9
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -219.635778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.635778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.635778 (E_RNA)
where:
Base-Base interactions energy: -142.930
where: short stacking energy: -73.147
Base-Backbone interact. energy: -0.934
local terms energy: -75.771301
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -13.894
flat angles C4'-P-C4' energy: -16.870
flat angles P-C4'-P energy: -7.899
tors. eta vs tors. theta energy: -23.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -211.448176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.448176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.448176 (E_RNA)
where:
Base-Base interactions energy: -140.050
where: short stacking energy: -65.954
Base-Backbone interact. energy: -0.590
local terms energy: -70.808054
where:
bonds (distance) C4'-P energy: -11.763
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -13.645
tors. eta vs tors. theta energy: -16.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -201.794818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.794818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.794818 (E_RNA)
where:
Base-Base interactions energy: -130.971
where: short stacking energy: -55.448
Base-Backbone interact. energy: -0.244
local terms energy: -70.579340
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -15.503
flat angles C4'-P-C4' energy: -12.832
flat angles P-C4'-P energy: -11.228
tors. eta vs tors. theta energy: -16.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -132.115849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.115849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.115849 (E_RNA)
where:
Base-Base interactions energy: -72.357
where: short stacking energy: -37.539
Base-Backbone interact. energy: -0.119
local terms energy: -59.639576
where:
bonds (distance) C4'-P energy: -10.994
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -10.652
tors. eta vs tors. theta energy: -8.517
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: 352
Temperature: 1.150000
Total energy: -147.800250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.800250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.800250 (E_RNA)
where:
Base-Base interactions energy: -89.980
where: short stacking energy: -40.563
Base-Backbone interact. energy: -0.180
local terms energy: -57.640113
where:
bonds (distance) C4'-P energy: -8.651
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -18.430
flat angles P-C4'-P energy: -10.183
tors. eta vs tors. theta energy: -4.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -88.231378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.231378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.231378 (E_RNA)
where:
Base-Base interactions energy: -38.687
where: short stacking energy: -18.672
Base-Backbone interact. energy: -0.169
local terms energy: -49.375253
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -15.155
flat angles C4'-P-C4' energy: -11.583
flat angles P-C4'-P energy: -9.935
tors. eta vs tors. theta energy: 3.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -88.627390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.627390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.627390 (E_RNA)
where:
Base-Base interactions energy: -33.807
where: short stacking energy: -33.240
Base-Backbone interact. energy: -0.178
local terms energy: -54.642754
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -9.343
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: -3.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -84.991113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.991113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.991113 (E_RNA)
where:
Base-Base interactions energy: -26.263
where: short stacking energy: -25.110
Base-Backbone interact. energy: -0.186
local terms energy: -58.542366
where:
bonds (distance) C4'-P energy: -14.516
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: -4.688
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: 10, replica: 7
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -85.710842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.710842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.710842 (E_RNA)
where:
Base-Base interactions energy: -32.809
where: short stacking energy: -32.809
Base-Backbone interact. energy: -0.025
local terms energy: -52.876592
where:
bonds (distance) C4'-P energy: -14.083
bonds (distance) P-C4' energy: -13.513
flat angles C4'-P-C4' energy: -13.202
flat angles P-C4'-P energy: -7.256
tors. eta vs tors. theta energy: -4.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -221.020315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.020315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.020315 (E_RNA)
where:
Base-Base interactions energy: -141.775
where: short stacking energy: -73.824
Base-Backbone interact. energy: -0.018
local terms energy: -79.226956
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -11.339
flat angles C4'-P-C4' energy: -18.266
flat angles P-C4'-P energy: -13.466
tors. eta vs tors. theta energy: -22.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -222.502099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.502099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.502099 (E_RNA)
where:
Base-Base interactions energy: -143.436
where: short stacking energy: -70.414
Base-Backbone interact. energy: -0.386
local terms energy: -78.679982
where:
bonds (distance) C4'-P energy: -14.706
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -17.559
flat angles P-C4'-P energy: -13.655
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: 3, replica: 9
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -208.697801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.697801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.697801 (E_RNA)
where:
Base-Base interactions energy: -130.579
where: short stacking energy: -67.092
Base-Backbone interact. energy: -0.577
local terms energy: -77.541518
where:
bonds (distance) C4'-P energy: -12.758
bonds (distance) P-C4' energy: -14.894
flat angles C4'-P-C4' energy: -16.485
flat angles P-C4'-P energy: -11.046
tors. eta vs tors. theta energy: -22.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -211.897705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.897705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.897705 (E_RNA)
where:
Base-Base interactions energy: -135.294
where: short stacking energy: -68.326
Base-Backbone interact. energy: -0.263
local terms energy: -76.340500
where:
bonds (distance) C4'-P energy: -17.522
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -15.170
flat angles P-C4'-P energy: -9.205
tors. eta vs tors. theta energy: -17.850
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: 5
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -103.636450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.636450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.636450 (E_RNA)
where:
Base-Base interactions energy: -38.638
where: short stacking energy: -38.638
Base-Backbone interact. energy: -0.061
local terms energy: -64.937460
where:
bonds (distance) C4'-P energy: -12.606
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -14.249
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -9.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -104.299962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.299962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.299962 (E_RNA)
where:
Base-Base interactions energy: -52.385
where: short stacking energy: -31.490
Base-Backbone interact. energy: -0.312
local terms energy: -51.603700
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -11.473
flat angles C4'-P-C4' energy: -13.993
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: -0.542
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: 4
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -130.184553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.184553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.184553 (E_RNA)
where:
Base-Base interactions energy: -74.748
where: short stacking energy: -49.776
Base-Backbone interact. energy: 0.179
local terms energy: -55.616024
where:
bonds (distance) C4'-P energy: -9.350
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -9.809
flat angles P-C4'-P energy: -9.771
tors. eta vs tors. theta energy: -10.357
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: 353
Temperature: 1.250000
Total energy: -94.774351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.774351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.774351 (E_RNA)
where:
Base-Base interactions energy: -41.623
where: short stacking energy: -28.007
Base-Backbone interact. energy: 1.250
local terms energy: -54.401802
where:
bonds (distance) C4'-P energy: -14.642
bonds (distance) P-C4' energy: -11.985
flat angles C4'-P-C4' energy: -14.017
flat angles P-C4'-P energy: -8.631
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: 9, replica: 3
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -82.398037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.398037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.398037 (E_RNA)
where:
Base-Base interactions energy: -27.021
where: short stacking energy: -27.021
Base-Backbone interact. energy: -0.063
local terms energy: -55.314537
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -8.161
tors. eta vs tors. theta energy: -2.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -74.486786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.486786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.486786 (E_RNA)
where:
Base-Base interactions energy: -25.591
where: short stacking energy: -25.891
Base-Backbone interact. energy: -0.261
local terms energy: -48.634690
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -10.918
flat angles P-C4'-P energy: -7.728
tors. eta vs tors. theta energy: -1.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -220.708278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.708278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.708278 (E_RNA)
where:
Base-Base interactions energy: -144.102
where: short stacking energy: -71.569
Base-Backbone interact. energy: -0.023
local terms energy: -76.582875
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -13.528
flat angles C4'-P-C4' energy: -16.830
flat angles P-C4'-P energy: -11.088
tors. eta vs tors. theta energy: -20.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -215.672780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.672780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.672780 (E_RNA)
where:
Base-Base interactions energy: -140.075
where: short stacking energy: -73.475
Base-Backbone interact. energy: -0.032
local terms energy: -75.565167
where:
bonds (distance) C4'-P energy: -14.199
bonds (distance) P-C4' energy: -11.644
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -10.743
tors. eta vs tors. theta energy: -23.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -209.707709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.707709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.707709 (E_RNA)
where:
Base-Base interactions energy: -137.397
where: short stacking energy: -70.727
Base-Backbone interact. energy: -0.615
local terms energy: -71.695634
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -11.623
flat angles C4'-P-C4' energy: -16.962
flat angles P-C4'-P energy: -8.498
tors. eta vs tors. theta energy: -20.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -187.326132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.326132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.326132 (E_RNA)
where:
Base-Base interactions energy: -121.892
where: short stacking energy: -56.129
Base-Backbone interact. energy: -0.142
local terms energy: -65.291385
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -11.898
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -12.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -104.371295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.371295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.371295 (E_RNA)
where:
Base-Base interactions energy: -48.384
where: short stacking energy: -42.301
Base-Backbone interact. energy: 0.867
local terms energy: -56.853600
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -12.543
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -6.511
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: 6, replica: 10
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -99.314637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.314637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.314637 (E_RNA)
where:
Base-Base interactions energy: -44.320
where: short stacking energy: -32.399
Base-Backbone interact. energy: -0.160
local terms energy: -54.834058
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -10.785
flat angles P-C4'-P energy: -6.970
tors. eta vs tors. theta energy: -7.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -134.960876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.960876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.960876 (E_RNA)
where:
Base-Base interactions energy: -82.976
where: short stacking energy: -41.367
Base-Backbone interact. energy: -0.218
local terms energy: -51.767733
where:
bonds (distance) C4'-P energy: -9.328
bonds (distance) P-C4' energy: -14.540
flat angles C4'-P-C4' energy: -13.207
flat angles P-C4'-P energy: -6.695
tors. eta vs tors. theta energy: -7.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -102.722598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.722598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.722598 (E_RNA)
where:
Base-Base interactions energy: -45.749
where: short stacking energy: -33.247
Base-Backbone interact. energy: -0.268
local terms energy: -56.705098
where:
bonds (distance) C4'-P energy: -15.559
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -11.431
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -4.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -83.970945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.970945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.970945 (E_RNA)
where:
Base-Base interactions energy: -29.551
where: short stacking energy: -25.150
Base-Backbone interact. energy: -0.043
local terms energy: -54.376663
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -9.344
flat angles P-C4'-P energy: -10.435
tors. eta vs tors. theta energy: -3.165
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: 3
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -75.844811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.844811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.844811 (E_RNA)
where:
Base-Base interactions energy: -24.568
where: short stacking energy: -22.817
Base-Backbone interact. energy: 0.584
local terms energy: -51.860825
where:
bonds (distance) C4'-P energy: -16.457
bonds (distance) P-C4' energy: -12.790
flat angles C4'-P-C4' energy: -13.020
flat angles P-C4'-P energy: -7.216
tors. eta vs tors. theta energy: -2.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -223.420716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.420716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.420716 (E_RNA)
where:
Base-Base interactions energy: -139.784
where: short stacking energy: -72.312
Base-Backbone interact. energy: -0.049
local terms energy: -83.587898
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -16.037
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -13.768
tors. eta vs tors. theta energy: -23.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -213.522240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.522240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.522240 (E_RNA)
where:
Base-Base interactions energy: -144.338
where: short stacking energy: -68.202
Base-Backbone interact. energy: -0.402
local terms energy: -68.782784
where:
bonds (distance) C4'-P energy: -10.319
bonds (distance) P-C4' energy: -12.064
flat angles C4'-P-C4' energy: -17.127
flat angles P-C4'-P energy: -10.105
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: 3, replica: 8
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -210.258388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.258388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.258388 (E_RNA)
where:
Base-Base interactions energy: -136.025
where: short stacking energy: -72.131
Base-Backbone interact. energy: -0.052
local terms energy: -74.180803
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -12.088
flat angles C4'-P-C4' energy: -13.840
flat angles P-C4'-P energy: -12.491
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: 4, replica: 9
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -202.325405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.325405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.325405 (E_RNA)
where:
Base-Base interactions energy: -138.623
where: short stacking energy: -71.168
Base-Backbone interact. energy: -0.151
local terms energy: -63.551215
where:
bonds (distance) C4'-P energy: -13.824
bonds (distance) P-C4' energy: -11.398
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -6.040
tors. eta vs tors. theta energy: -18.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -109.850252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.850252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.850252 (E_RNA)
where:
Base-Base interactions energy: -46.433
where: short stacking energy: -46.433
Base-Backbone interact. energy: -0.098
local terms energy: -63.319787
where:
bonds (distance) C4'-P energy: -13.377
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -12.985
flat angles P-C4'-P energy: -6.081
tors. eta vs tors. theta energy: -14.453
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: 4
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -126.760122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.760122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.760122 (E_RNA)
where:
Base-Base interactions energy: -65.576
where: short stacking energy: -35.226
Base-Backbone interact. energy: -0.526
local terms energy: -60.658457
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -14.919
flat angles P-C4'-P energy: -7.951
tors. eta vs tors. theta energy: -7.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -100.695936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.695936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.695936 (E_RNA)
where:
Base-Base interactions energy: -47.255
where: short stacking energy: -38.616
Base-Backbone interact. energy: -0.106
local terms energy: -53.334985
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -13.080
flat angles P-C4'-P energy: -4.851
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: 8, replica: 1
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -90.209841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.209841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.209841 (E_RNA)
where:
Base-Base interactions energy: -38.282
where: short stacking energy: -23.948
Base-Backbone interact. energy: -0.902
local terms energy: -51.026186
where:
bonds (distance) C4'-P energy: -14.321
bonds (distance) P-C4' energy: -13.040
flat angles C4'-P-C4' energy: -13.004
flat angles P-C4'-P energy: -8.115
tors. eta vs tors. theta energy: -2.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -76.082824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.082824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.082824 (E_RNA)
where:
Base-Base interactions energy: -29.666
where: short stacking energy: -29.666
Base-Backbone interact. energy: -0.046
local terms energy: -46.371280
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -12.576
flat angles C4'-P-C4' energy: -10.920
flat angles P-C4'-P energy: -5.478
tors. eta vs tors. theta energy: -4.523
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: 10, replica: 3
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -96.094486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.094486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.094486 (E_RNA)
where:
Base-Base interactions energy: -34.882
where: short stacking energy: -29.345
Base-Backbone interact. energy: -0.284
local terms energy: -60.928118
where:
bonds (distance) C4'-P energy: -13.741
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -14.037
flat angles P-C4'-P energy: -9.410
tors. eta vs tors. theta energy: -6.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -227.611000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.611000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.611000 (E_RNA)
where:
Base-Base interactions energy: -146.588
where: short stacking energy: -73.923
Base-Backbone interact. energy: 0.083
local terms energy: -81.105607
where:
bonds (distance) C4'-P energy: -15.098
bonds (distance) P-C4' energy: -16.207
flat angles C4'-P-C4' energy: -16.841
flat angles P-C4'-P energy: -11.788
tors. eta vs tors. theta energy: -21.172
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: 2, replica: 2
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -218.837613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.837613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.837613 (E_RNA)
where:
Base-Base interactions energy: -142.439
where: short stacking energy: -68.061
Base-Backbone interact. energy: 0.647
local terms energy: -77.046115
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -14.126
flat angles C4'-P-C4' energy: -14.751
flat angles P-C4'-P energy: -12.903
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: 3, replica: 8
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -205.186016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.186016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.186016 (E_RNA)
where:
Base-Base interactions energy: -131.684
where: short stacking energy: -68.676
Base-Backbone interact. energy: -0.022
local terms energy: -73.479977
where:
bonds (distance) C4'-P energy: -17.485
bonds (distance) P-C4' energy: -13.982
flat angles C4'-P-C4' energy: -14.877
flat angles P-C4'-P energy: -8.638
tors. eta vs tors. theta energy: -18.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -203.916401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.916401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.916401 (E_RNA)
where:
Base-Base interactions energy: -132.045
where: short stacking energy: -66.206
Base-Backbone interact. energy: -0.000
local terms energy: -71.871061
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -11.388
flat angles C4'-P-C4' energy: -16.684
flat angles P-C4'-P energy: -11.433
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: 5, replica: 4
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -131.131495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.131495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.131495 (E_RNA)
where:
Base-Base interactions energy: -77.619
where: short stacking energy: -46.435
Base-Backbone interact. energy: -0.793
local terms energy: -52.719522
where:
bonds (distance) C4'-P energy: -10.374
bonds (distance) P-C4' energy: -11.352
flat angles C4'-P-C4' energy: -13.253
flat angles P-C4'-P energy: -11.033
tors. eta vs tors. theta energy: -6.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -95.899886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.899886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.899886 (E_RNA)
where:
Base-Base interactions energy: -37.944
where: short stacking energy: -37.944
Base-Backbone interact. energy: -0.100
local terms energy: -57.856510
where:
bonds (distance) C4'-P energy: -7.353
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -10.738
tors. eta vs tors. theta energy: -8.512
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: 7, replica: 10
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -88.157855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.157855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.157855 (E_RNA)
where:
Base-Base interactions energy: -39.658
where: short stacking energy: -19.818
Base-Backbone interact. energy: -0.039
local terms energy: -48.460349
where:
bonds (distance) C4'-P energy: -11.469
bonds (distance) P-C4' energy: -13.317
flat angles C4'-P-C4' energy: -13.095
flat angles P-C4'-P energy: -11.644
tors. eta vs tors. theta energy: 1.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -92.156317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.156317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.156317 (E_RNA)
where:
Base-Base interactions energy: -31.610
where: short stacking energy: -28.345
Base-Backbone interact. energy: -0.044
local terms energy: -60.502676
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -16.683
flat angles P-C4'-P energy: -10.396
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: 9, replica: 3
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -99.425081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.425081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.425081 (E_RNA)
where:
Base-Base interactions energy: -40.548
where: short stacking energy: -38.056
Base-Backbone interact. energy: -0.009
local terms energy: -58.868731
where:
bonds (distance) C4'-P energy: -8.864
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -14.869
flat angles P-C4'-P energy: -8.540
tors. eta vs tors. theta energy: -9.469
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: 10, replica: 7
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -76.364210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.364210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.364210 (E_RNA)
where:
Base-Base interactions energy: -29.920
where: short stacking energy: -18.050
Base-Backbone interact. energy: 1.547
local terms energy: -47.991156
where:
bonds (distance) C4'-P energy: -13.760
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -12.010
flat angles P-C4'-P energy: -4.949
tors. eta vs tors. theta energy: 0.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -218.197261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.197261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.197261 (E_RNA)
where:
Base-Base interactions energy: -143.255
where: short stacking energy: -70.454
Base-Backbone interact. energy: -0.090
local terms energy: -74.853042
where:
bonds (distance) C4'-P energy: -12.165
bonds (distance) P-C4' energy: -16.958
flat angles C4'-P-C4' energy: -17.614
flat angles P-C4'-P energy: -9.359
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: 2
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -210.978207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.978207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.978207 (E_RNA)
where:
Base-Base interactions energy: -134.281
where: short stacking energy: -70.141
Base-Backbone interact. energy: -0.003
local terms energy: -76.694268
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -11.925
tors. eta vs tors. theta energy: -20.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -216.006691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.006691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.006691 (E_RNA)
where:
Base-Base interactions energy: -138.898
where: short stacking energy: -65.560
Base-Backbone interact. energy: -0.240
local terms energy: -76.868268
where:
bonds (distance) C4'-P energy: -15.766
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -14.924
flat angles P-C4'-P energy: -12.625
tors. eta vs tors. theta energy: -18.461
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: 9
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -193.056993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.056993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.056993 (E_RNA)
where:
Base-Base interactions energy: -120.626
where: short stacking energy: -50.273
Base-Backbone interact. energy: -0.024
local terms energy: -72.406554
where:
bonds (distance) C4'-P energy: -14.232
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -14.980
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -16.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -154.082795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.082795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.082795 (E_RNA)
where:
Base-Base interactions energy: -84.490
where: short stacking energy: -50.178
Base-Backbone interact. energy: -0.000
local terms energy: -69.591993
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -17.148
flat angles P-C4'-P energy: -8.981
tors. eta vs tors. theta energy: -15.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -101.524820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.524820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.524820 (E_RNA)
where:
Base-Base interactions energy: -37.652
where: short stacking energy: -37.652
Base-Backbone interact. energy: -0.088
local terms energy: -63.784468
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -11.981
flat angles P-C4'-P energy: -9.661
tors. eta vs tors. theta energy: -10.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -84.432985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.432985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.432985 (E_RNA)
where:
Base-Base interactions energy: -36.790
where: short stacking energy: -32.723
Base-Backbone interact. energy: -0.021
local terms energy: -47.622232
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -7.632
flat angles C4'-P-C4' energy: -11.066
flat angles P-C4'-P energy: -7.316
tors. eta vs tors. theta energy: -5.577
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: 357
Temperature: 1.250000
Total energy: -90.826959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.826959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.826959 (E_RNA)
where:
Base-Base interactions energy: -43.532
where: short stacking energy: -22.382
Base-Backbone interact. energy: -0.654
local terms energy: -46.641171
where:
bonds (distance) C4'-P energy: -9.412
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -8.992
flat angles P-C4'-P energy: -9.262
tors. eta vs tors. theta energy: -1.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -88.699831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.699831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.699831 (E_RNA)
where:
Base-Base interactions energy: -30.006
where: short stacking energy: -27.231
Base-Backbone interact. energy: -0.327
local terms energy: -58.366564
where:
bonds (distance) C4'-P energy: -13.050
bonds (distance) P-C4' energy: -16.537
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -11.762
tors. eta vs tors. theta energy: -1.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -79.676493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.676493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.676493 (E_RNA)
where:
Base-Base interactions energy: -36.070
where: short stacking energy: -29.260
Base-Backbone interact. energy: -0.197
local terms energy: -43.409871
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -4.130
flat angles P-C4'-P energy: -5.481
tors. eta vs tors. theta energy: -2.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -224.622833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.622833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.622833 (E_RNA)
where:
Base-Base interactions energy: -147.828
where: short stacking energy: -76.138
Base-Backbone interact. energy: -0.011
local terms energy: -76.783766
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -16.575
flat angles P-C4'-P energy: -12.454
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: 2, replica: 2
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -213.586120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.586120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.586120 (E_RNA)
where:
Base-Base interactions energy: -140.119
where: short stacking energy: -65.650
Base-Backbone interact. energy: -0.166
local terms energy: -73.300876
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -13.725
flat angles P-C4'-P energy: -9.970
tors. eta vs tors. theta energy: -23.120
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: 9
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -191.862783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.862783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.862783 (E_RNA)
where:
Base-Base interactions energy: -125.457
where: short stacking energy: -61.822
Base-Backbone interact. energy: -0.049
local terms energy: -66.356037
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -16.681
flat angles P-C4'-P energy: -9.972
tors. eta vs tors. theta energy: -12.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -204.293239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.293239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.293239 (E_RNA)
where:
Base-Base interactions energy: -137.342
where: short stacking energy: -70.748
Base-Backbone interact. energy: 0.575
local terms energy: -67.525779
where:
bonds (distance) C4'-P energy: -8.322
bonds (distance) P-C4' energy: -14.279
flat angles C4'-P-C4' energy: -16.547
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -18.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -155.423563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.423563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.423563 (E_RNA)
where:
Base-Base interactions energy: -84.962
where: short stacking energy: -51.079
Base-Backbone interact. energy: -0.054
local terms energy: -70.407028
where:
bonds (distance) C4'-P energy: -16.122
bonds (distance) P-C4' energy: -15.487
flat angles C4'-P-C4' energy: -13.366
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: -14.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -91.984746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.984746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.984746 (E_RNA)
where:
Base-Base interactions energy: -37.101
where: short stacking energy: -31.214
Base-Backbone interact. energy: -0.072
local terms energy: -54.811665
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -15.299
flat angles C4'-P-C4' energy: -13.588
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -3.500
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: 358
Temperature: 1.200000
Total energy: -93.405112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.405112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.405112 (E_RNA)
where:
Base-Base interactions energy: -40.139
where: short stacking energy: -36.366
Base-Backbone interact. energy: -0.305
local terms energy: -52.961421
where:
bonds (distance) C4'-P energy: -12.312
bonds (distance) P-C4' energy: -12.011
flat angles C4'-P-C4' energy: -14.631
flat angles P-C4'-P energy: -6.004
tors. eta vs tors. theta energy: -8.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -93.108035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.108035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.108035 (E_RNA)
where:
Base-Base interactions energy: -36.477
where: short stacking energy: -27.542
Base-Backbone interact. energy: -0.206
local terms energy: -56.424998
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -16.161
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -0.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -94.389228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.389228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.389228 (E_RNA)
where:
Base-Base interactions energy: -40.439
where: short stacking energy: -38.757
Base-Backbone interact. energy: -0.161
local terms energy: -53.788782
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -14.942
flat angles C4'-P-C4' energy: -12.495
flat angles P-C4'-P energy: -7.558
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: 10, replica: 1
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -93.112817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.112817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.112817 (E_RNA)
where:
Base-Base interactions energy: -36.717
where: short stacking energy: -20.124
Base-Backbone interact. energy: -0.106
local terms energy: -56.289221
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -13.643
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -9.698
tors. eta vs tors. theta energy: -4.137
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: 6
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -224.970194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.970194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.970194 (E_RNA)
where:
Base-Base interactions energy: -146.434
where: short stacking energy: -74.943
Base-Backbone interact. energy: -0.015
local terms energy: -78.521255
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -10.619
tors. eta vs tors. theta energy: -20.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -210.558913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.558913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.558913 (E_RNA)
where:
Base-Base interactions energy: -135.834
where: short stacking energy: -63.477
Base-Backbone interact. energy: -0.140
local terms energy: -74.584718
where:
bonds (distance) C4'-P energy: -17.762
bonds (distance) P-C4' energy: -12.648
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -11.246
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: 3, replica: 2
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -199.204144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.204144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.204144 (E_RNA)
where:
Base-Base interactions energy: -133.813
where: short stacking energy: -58.366
Base-Backbone interact. energy: -1.121
local terms energy: -64.270146
where:
bonds (distance) C4'-P energy: -7.196
bonds (distance) P-C4' energy: -17.906
flat angles C4'-P-C4' energy: -16.244
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -11.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -207.200124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.200124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.200124 (E_RNA)
where:
Base-Base interactions energy: -126.696
where: short stacking energy: -72.545
Base-Backbone interact. energy: -0.553
local terms energy: -79.951361
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -14.100
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -14.874
tors. eta vs tors. theta energy: -23.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -147.008909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.008909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.008909 (E_RNA)
where:
Base-Base interactions energy: -91.025
where: short stacking energy: -45.543
Base-Backbone interact. energy: -0.069
local terms energy: -55.915225
where:
bonds (distance) C4'-P energy: -8.965
bonds (distance) P-C4' energy: -12.843
flat angles C4'-P-C4' energy: -13.549
flat angles P-C4'-P energy: -10.188
tors. eta vs tors. theta energy: -10.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -96.538095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.538095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.538095 (E_RNA)
where:
Base-Base interactions energy: -34.506
where: short stacking energy: -34.376
Base-Backbone interact. energy: -0.014
local terms energy: -62.018484
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -17.631
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -9.513
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: 7, replica: 10
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -93.826086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.826086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.826086 (E_RNA)
where:
Base-Base interactions energy: -36.266
where: short stacking energy: -36.266
Base-Backbone interact. energy: -0.004
local terms energy: -57.556098
where:
bonds (distance) C4'-P energy: -11.290
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -10.017
flat angles P-C4'-P energy: -8.036
tors. eta vs tors. theta energy: -10.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -96.422775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.422775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.422775 (E_RNA)
where:
Base-Base interactions energy: -32.597
where: short stacking energy: -30.342
Base-Backbone interact. energy: -0.824
local terms energy: -63.002087
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -9.708
tors. eta vs tors. theta energy: -6.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -78.447071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.447071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.447071 (E_RNA)
where:
Base-Base interactions energy: -34.459
where: short stacking energy: -12.608
Base-Backbone interact. energy: -0.655
local terms energy: -43.332690
where:
bonds (distance) C4'-P energy: -11.266
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -10.018
flat angles P-C4'-P energy: -9.985
tors. eta vs tors. theta energy: 2.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -75.628119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.628119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.628119 (E_RNA)
where:
Base-Base interactions energy: -32.719
where: short stacking energy: -28.503
Base-Backbone interact. energy: -0.833
local terms energy: -42.075991
where:
bonds (distance) C4'-P energy: -11.609
bonds (distance) P-C4' energy: -8.494
flat angles C4'-P-C4' energy: -14.812
flat angles P-C4'-P energy: -4.546
tors. eta vs tors. theta energy: -2.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -218.299513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.299513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.299513 (E_RNA)
where:
Base-Base interactions energy: -142.166
where: short stacking energy: -73.917
Base-Backbone interact. energy: -0.055
local terms energy: -76.078154
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -21.243
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: 6
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -224.986443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.986443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.986443 (E_RNA)
where:
Base-Base interactions energy: -146.733
where: short stacking energy: -74.417
Base-Backbone interact. energy: -0.039
local terms energy: -78.215108
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -19.511
flat angles P-C4'-P energy: -7.284
tors. eta vs tors. theta energy: -22.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -209.203705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.203705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.203705 (E_RNA)
where:
Base-Base interactions energy: -133.189
where: short stacking energy: -67.809
Base-Backbone interact. energy: -0.005
local terms energy: -76.009819
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -16.539
flat angles P-C4'-P energy: -11.781
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: 4, replica: 2
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -190.668237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.668237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.668237 (E_RNA)
where:
Base-Base interactions energy: -118.481
where: short stacking energy: -62.057
Base-Backbone interact. energy: -0.091
local terms energy: -72.096279
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: -9.454
tors. eta vs tors. theta energy: -17.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -160.527227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.527227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.527227 (E_RNA)
where:
Base-Base interactions energy: -96.449
where: short stacking energy: -52.827
Base-Backbone interact. energy: -0.690
local terms energy: -63.388006
where:
bonds (distance) C4'-P energy: -12.389
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -12.589
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: -13.532
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: 3
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -101.742385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.742385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.742385 (E_RNA)
where:
Base-Base interactions energy: -48.872
where: short stacking energy: -35.258
Base-Backbone interact. energy: -0.024
local terms energy: -52.846635
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -15.862
flat angles C4'-P-C4' energy: -12.463
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -1.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -97.343479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.343479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.343479 (E_RNA)
where:
Base-Base interactions energy: -40.550
where: short stacking energy: -25.521
Base-Backbone interact. energy: -0.317
local terms energy: -56.476209
where:
bonds (distance) C4'-P energy: -14.350
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -14.248
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -2.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -80.762496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.762496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.762496 (E_RNA)
where:
Base-Base interactions energy: -27.885
where: short stacking energy: -27.131
Base-Backbone interact. energy: -0.814
local terms energy: -52.063716
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -16.927
flat angles C4'-P-C4' energy: -13.042
flat angles P-C4'-P energy: -4.094
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: 9, replica: 1
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -74.065193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.065193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.065193 (E_RNA)
where:
Base-Base interactions energy: -27.805
where: short stacking energy: -24.690
Base-Backbone interact. energy: -0.190
local terms energy: -46.069637
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -16.040
flat angles C4'-P-C4' energy: -14.746
flat angles P-C4'-P energy: -3.342
tors. eta vs tors. theta energy: 1.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -77.481778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.481778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.481778 (E_RNA)
where:
Base-Base interactions energy: -24.263
where: short stacking energy: -24.263
Base-Backbone interact. energy: 0.326
local terms energy: -53.545338
where:
bonds (distance) C4'-P energy: -11.469
bonds (distance) P-C4' energy: -14.235
flat angles C4'-P-C4' energy: -12.712
flat angles P-C4'-P energy: -9.589
tors. eta vs tors. theta energy: -5.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -224.369984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.369984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.369984 (E_RNA)
where:
Base-Base interactions energy: -140.230
where: short stacking energy: -73.585
Base-Backbone interact. energy: 0.053
local terms energy: -84.192573
where:
bonds (distance) C4'-P energy: -16.131
bonds (distance) P-C4' energy: -16.300
flat angles C4'-P-C4' energy: -16.483
flat angles P-C4'-P energy: -12.622
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: 361
Temperature: 0.950000
Total energy: -231.113896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.113896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.113896 (E_RNA)
where:
Base-Base interactions energy: -141.718
where: short stacking energy: -78.021
Base-Backbone interact. energy: -0.081
local terms energy: -89.314767
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -19.073
flat angles P-C4'-P energy: -15.106
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: 8
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -223.191291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.191291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.191291 (E_RNA)
where:
Base-Base interactions energy: -149.165
where: short stacking energy: -75.724
Base-Backbone interact. energy: -0.327
local terms energy: -73.698408
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -14.076
flat angles P-C4'-P energy: -12.053
tors. eta vs tors. theta energy: -17.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -203.894580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.894580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.894580 (E_RNA)
where:
Base-Base interactions energy: -122.478
where: short stacking energy: -58.817
Base-Backbone interact. energy: -0.100
local terms energy: -81.316000
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -14.412
flat angles P-C4'-P energy: -14.661
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: 5, replica: 4
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -151.644109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.644109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.644109 (E_RNA)
where:
Base-Base interactions energy: -82.368
where: short stacking energy: -52.235
Base-Backbone interact. energy: -0.119
local terms energy: -69.156775
where:
bonds (distance) C4'-P energy: -14.743
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -13.018
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: 6, replica: 5
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -95.196844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.196844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.196844 (E_RNA)
where:
Base-Base interactions energy: -34.228
where: short stacking energy: -34.228
Base-Backbone interact. energy: -0.008
local terms energy: -60.961365
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -11.956
flat angles P-C4'-P energy: -9.997
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: 361
Temperature: 1.200000
Total energy: -90.876287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.876287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.876287 (E_RNA)
where:
Base-Base interactions energy: -38.261
where: short stacking energy: -35.452
Base-Backbone interact. energy: -0.693
local terms energy: -51.921599
where:
bonds (distance) C4'-P energy: -7.056
bonds (distance) P-C4' energy: -16.081
flat angles C4'-P-C4' energy: -12.784
flat angles P-C4'-P energy: -7.503
tors. eta vs tors. theta energy: -8.498
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: 361
Temperature: 1.250000
Total energy: -85.721575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.721575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.721575 (E_RNA)
where:
Base-Base interactions energy: -37.778
where: short stacking energy: -34.578
Base-Backbone interact. energy: -0.094
local terms energy: -47.849957
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -12.464
flat angles C4'-P-C4' energy: -10.717
flat angles P-C4'-P energy: -6.374
tors. eta vs tors. theta energy: -6.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -79.140335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.140335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.140335 (E_RNA)
where:
Base-Base interactions energy: -27.721
where: short stacking energy: -17.498
Base-Backbone interact. energy: -0.035
local terms energy: -51.384650
where:
bonds (distance) C4'-P energy: -11.668
bonds (distance) P-C4' energy: -13.040
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -8.493
tors. eta vs tors. theta energy: -3.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -80.997903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.997903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.997903 (E_RNA)
where:
Base-Base interactions energy: -36.757
where: short stacking energy: -30.699
Base-Backbone interact. energy: -0.017
local terms energy: -44.223792
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -5.305
flat angles P-C4'-P energy: -6.633
tors. eta vs tors. theta energy: -2.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -224.318964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.318964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.318964 (E_RNA)
where:
Base-Base interactions energy: -143.529
where: short stacking energy: -78.711
Base-Backbone interact. energy: -0.176
local terms energy: -80.613930
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -17.411
flat angles P-C4'-P energy: -12.088
tors. eta vs tors. theta energy: -23.081
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: 6
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -213.674324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.674324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.674324 (E_RNA)
where:
Base-Base interactions energy: -138.427
where: short stacking energy: -69.159
Base-Backbone interact. energy: -1.022
local terms energy: -74.225124
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -15.903
flat angles P-C4'-P energy: -9.260
tors. eta vs tors. theta energy: -19.047
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: 2
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -207.915184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.915184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.915184 (E_RNA)
where:
Base-Base interactions energy: -127.913
where: short stacking energy: -65.333
Base-Backbone interact. energy: -0.146
local terms energy: -79.855908
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -14.094
flat angles P-C4'-P energy: -12.538
tors. eta vs tors. theta energy: -18.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -209.789480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.789480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.789480 (E_RNA)
where:
Base-Base interactions energy: -134.695
where: short stacking energy: -68.385
Base-Backbone interact. energy: -0.034
local terms energy: -75.061159
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -13.630
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -10.420
tors. eta vs tors. theta energy: -20.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -171.586445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.586445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.586445 (E_RNA)
where:
Base-Base interactions energy: -110.587
where: short stacking energy: -58.075
Base-Backbone interact. energy: -0.219
local terms energy: -60.780231
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -7.440
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -9.940
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: 6, replica: 5
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -104.198058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.198058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.198058 (E_RNA)
where:
Base-Base interactions energy: -52.762
where: short stacking energy: -32.582
Base-Backbone interact. energy: -0.632
local terms energy: -50.803790
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -15.094
flat angles C4'-P-C4' energy: -6.178
flat angles P-C4'-P energy: -10.059
tors. eta vs tors. theta energy: -2.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -79.912073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.912073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.912073 (E_RNA)
where:
Base-Base interactions energy: -28.189
where: short stacking energy: -21.096
Base-Backbone interact. energy: -0.677
local terms energy: -51.046352
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -12.059
flat angles P-C4'-P energy: -6.645
tors. eta vs tors. theta energy: -0.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -81.760976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.760976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.760976 (E_RNA)
where:
Base-Base interactions energy: -29.452
where: short stacking energy: -29.452
Base-Backbone interact. energy: -0.114
local terms energy: -52.194337
where:
bonds (distance) C4'-P energy: -11.978
bonds (distance) P-C4' energy: -16.771
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: -4.083
tors. eta vs tors. theta energy: -4.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -81.509392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.509392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.509392 (E_RNA)
where:
Base-Base interactions energy: -30.244
where: short stacking energy: -22.056
Base-Backbone interact. energy: -0.075
local terms energy: -51.190595
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -8.903
flat angles C4'-P-C4' energy: -12.522
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: -2.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -77.075194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.075194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.075194 (E_RNA)
where:
Base-Base interactions energy: -32.545
where: short stacking energy: -21.665
Base-Backbone interact. energy: -0.118
local terms energy: -44.412117
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -10.310
flat angles C4'-P-C4' energy: -8.778
flat angles P-C4'-P energy: -8.500
tors. eta vs tors. theta energy: -3.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -216.353210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.353210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.353210 (E_RNA)
where:
Base-Base interactions energy: -138.502
where: short stacking energy: -71.175
Base-Backbone interact. energy: -0.040
local terms energy: -77.811988
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -15.660
flat angles P-C4'-P energy: -8.663
tors. eta vs tors. theta energy: -20.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -219.233769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.233769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.233769 (E_RNA)
where:
Base-Base interactions energy: -143.270
where: short stacking energy: -72.075
Base-Backbone interact. energy: -1.436
local terms energy: -74.528128
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -14.189
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -8.709
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: 3, replica: 2
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -207.010413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.010413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.010413 (E_RNA)
where:
Base-Base interactions energy: -137.565
where: short stacking energy: -67.333
Base-Backbone interact. energy: -0.114
local terms energy: -69.331531
where:
bonds (distance) C4'-P energy: -10.820
bonds (distance) P-C4' energy: -13.626
flat angles C4'-P-C4' energy: -15.268
flat angles P-C4'-P energy: -11.482
tors. eta vs tors. theta energy: -18.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -208.867158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.867158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.867158 (E_RNA)
where:
Base-Base interactions energy: -134.976
where: short stacking energy: -67.039
Base-Backbone interact. energy: -0.011
local terms energy: -73.879600
where:
bonds (distance) C4'-P energy: -14.788
bonds (distance) P-C4' energy: -10.449
flat angles C4'-P-C4' energy: -16.953
flat angles P-C4'-P energy: -12.750
tors. eta vs tors. theta energy: -18.940
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: 4
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -141.974333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.974333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.974333 (E_RNA)
where:
Base-Base interactions energy: -78.907
where: short stacking energy: -43.247
Base-Backbone interact. energy: -0.254
local terms energy: -62.813279
where:
bonds (distance) C4'-P energy: -14.659
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -15.015
flat angles P-C4'-P energy: -8.485
tors. eta vs tors. theta energy: -7.582
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: 10
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -94.933271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.933271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.933271 (E_RNA)
where:
Base-Base interactions energy: -32.537
where: short stacking energy: -28.905
Base-Backbone interact. energy: -0.115
local terms energy: -62.280977
where:
bonds (distance) C4'-P energy: -15.151
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -12.548
flat angles P-C4'-P energy: -12.597
tors. eta vs tors. theta energy: -5.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -88.882616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.882616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.882616 (E_RNA)
where:
Base-Base interactions energy: -28.793
where: short stacking energy: -28.793
Base-Backbone interact. energy: -0.210
local terms energy: -59.878929
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -13.393
flat angles P-C4'-P energy: -8.198
tors. eta vs tors. theta energy: -8.621
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: 7
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -81.641605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.641605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.641605 (E_RNA)
where:
Base-Base interactions energy: -39.070
where: short stacking energy: -28.031
Base-Backbone interact. energy: 1.226
local terms energy: -43.798196
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -13.149
flat angles C4'-P-C4' energy: -8.931
flat angles P-C4'-P energy: -9.420
tors. eta vs tors. theta energy: 0.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -76.211135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.211135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.211135 (E_RNA)
where:
Base-Base interactions energy: -26.200
where: short stacking energy: -26.200
Base-Backbone interact. energy: -0.194
local terms energy: -49.817894
where:
bonds (distance) C4'-P energy: -14.258
bonds (distance) P-C4' energy: -12.413
flat angles C4'-P-C4' energy: -12.812
flat angles P-C4'-P energy: -7.699
tors. eta vs tors. theta energy: -2.636
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: 10, replica: 1
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -78.265982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.265982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.265982 (E_RNA)
where:
Base-Base interactions energy: -22.355
where: short stacking energy: -22.355
Base-Backbone interact. energy: -0.063
local terms energy: -55.848076
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -9.442
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -11.719
tors. eta vs tors. theta energy: -3.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -215.584266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.584266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.584266 (E_RNA)
where:
Base-Base interactions energy: -132.882
where: short stacking energy: -65.688
Base-Backbone interact. energy: -0.001
local terms energy: -82.701305
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -16.308
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -20.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -217.041097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.041097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.041097 (E_RNA)
where:
Base-Base interactions energy: -138.811
where: short stacking energy: -75.897
Base-Backbone interact. energy: -0.044
local terms energy: -78.186046
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -18.634
flat angles P-C4'-P energy: -5.747
tors. eta vs tors. theta energy: -22.939
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: 3, replica: 2
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -212.874730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.874730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.874730 (E_RNA)
where:
Base-Base interactions energy: -143.868
where: short stacking energy: -70.427
Base-Backbone interact. energy: -0.033
local terms energy: -68.974559
where:
bonds (distance) C4'-P energy: -13.024
bonds (distance) P-C4' energy: -8.748
flat angles C4'-P-C4' energy: -14.006
flat angles P-C4'-P energy: -14.904
tors. eta vs tors. theta energy: -18.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -193.315238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.315238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.315238 (E_RNA)
where:
Base-Base interactions energy: -128.512
where: short stacking energy: -57.741
Base-Backbone interact. energy: -0.232
local terms energy: -64.570499
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -9.694
flat angles C4'-P-C4' energy: -17.430
flat angles P-C4'-P energy: -11.098
tors. eta vs tors. theta energy: -11.650
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: 4
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -133.479234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.479234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.479234 (E_RNA)
where:
Base-Base interactions energy: -77.978
where: short stacking energy: -47.615
Base-Backbone interact. energy: -0.211
local terms energy: -55.290379
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -13.918
flat angles C4'-P-C4' energy: -11.676
flat angles P-C4'-P energy: -10.443
tors. eta vs tors. theta energy: -5.394
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: 10
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -100.003278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.003278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.003278 (E_RNA)
where:
Base-Base interactions energy: -37.727
where: short stacking energy: -32.353
Base-Backbone interact. energy: 0.277
local terms energy: -62.553548
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -13.657
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -8.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -85.787592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.787592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.787592 (E_RNA)
where:
Base-Base interactions energy: -35.294
where: short stacking energy: -29.850
Base-Backbone interact. energy: -0.144
local terms energy: -50.349424
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -13.858
flat angles C4'-P-C4' energy: -13.501
flat angles P-C4'-P energy: -7.737
tors. eta vs tors. theta energy: -1.147
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: 5
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -87.011086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.011086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.011086 (E_RNA)
where:
Base-Base interactions energy: -37.998
where: short stacking energy: -37.998
Base-Backbone interact. energy: -0.192
local terms energy: -48.820744
where:
bonds (distance) C4'-P energy: -10.211
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -9.253
flat angles P-C4'-P energy: -5.568
tors. eta vs tors. theta energy: -7.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -85.023453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.023453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.023453 (E_RNA)
where:
Base-Base interactions energy: -33.000
where: short stacking energy: -29.692
Base-Backbone interact. energy: -0.080
local terms energy: -51.943168
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -14.497
flat angles C4'-P-C4' energy: -11.057
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -5.262
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: 10, replica: 3
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -75.940604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.940604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.940604 (E_RNA)
where:
Base-Base interactions energy: -29.015
where: short stacking energy: -22.270
Base-Backbone interact. energy: -0.111
local terms energy: -46.815074
where:
bonds (distance) C4'-P energy: -9.714
bonds (distance) P-C4' energy: -12.003
flat angles C4'-P-C4' energy: -12.230
flat angles P-C4'-P energy: -8.698
tors. eta vs tors. theta energy: -4.170
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: 6
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -222.640195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.640195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.640195 (E_RNA)
where:
Base-Base interactions energy: -141.566
where: short stacking energy: -71.848
Base-Backbone interact. energy: -0.601
local terms energy: -80.473859
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -18.782
flat angles P-C4'-P energy: -14.354
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: 2, replica: 2
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -222.404151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.404151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.404151 (E_RNA)
where:
Base-Base interactions energy: -139.955
where: short stacking energy: -66.879
Base-Backbone interact. energy: -0.052
local terms energy: -82.397633
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -13.129
tors. eta vs tors. theta energy: -22.760
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: 3, replica: 9
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -212.681732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.681732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.681732 (E_RNA)
where:
Base-Base interactions energy: -132.995
where: short stacking energy: -67.127
Base-Backbone interact. energy: -0.248
local terms energy: -79.438778
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -15.097
flat angles P-C4'-P energy: -11.733
tors. eta vs tors. theta energy: -22.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -195.702989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.702989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.702989 (E_RNA)
where:
Base-Base interactions energy: -123.867
where: short stacking energy: -57.083
Base-Backbone interact. energy: -0.091
local terms energy: -71.744886
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -15.636
flat angles C4'-P-C4' energy: -13.532
flat angles P-C4'-P energy: -11.800
tors. eta vs tors. theta energy: -15.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -139.129398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.129398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.129398 (E_RNA)
where:
Base-Base interactions energy: -82.509
where: short stacking energy: -48.380
Base-Backbone interact. energy: -0.583
local terms energy: -56.037691
where:
bonds (distance) C4'-P energy: -9.854
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -9.299
flat angles P-C4'-P energy: -11.281
tors. eta vs tors. theta energy: -11.507
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: 6, replica: 7
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -92.535059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.535059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.535059 (E_RNA)
where:
Base-Base interactions energy: -41.335
where: short stacking energy: -40.570
Base-Backbone interact. energy: -0.414
local terms energy: -50.785405
where:
bonds (distance) C4'-P energy: -4.481
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -10.651
tors. eta vs tors. theta energy: -7.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -91.254109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.254109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.254109 (E_RNA)
where:
Base-Base interactions energy: -28.719
where: short stacking energy: -28.719
Base-Backbone interact. energy: -0.113
local terms energy: -62.422263
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -11.223
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: 8, replica: 1
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -89.663605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.663605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.663605 (E_RNA)
where:
Base-Base interactions energy: -34.932
where: short stacking energy: -33.071
Base-Backbone interact. energy: -0.467
local terms energy: -54.264707
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -15.310
flat angles C4'-P-C4' energy: -11.464
flat angles P-C4'-P energy: -4.065
tors. eta vs tors. theta energy: -9.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -82.381377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.381377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.381377 (E_RNA)
where:
Base-Base interactions energy: -32.570
where: short stacking energy: -30.432
Base-Backbone interact. energy: -0.191
local terms energy: -49.620605
where:
bonds (distance) C4'-P energy: -12.307
bonds (distance) P-C4' energy: -13.484
flat angles C4'-P-C4' energy: -13.217
flat angles P-C4'-P energy: -8.346
tors. eta vs tors. theta energy: -2.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -83.711672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.711672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.711672 (E_RNA)
where:
Base-Base interactions energy: -37.748
where: short stacking energy: -27.731
Base-Backbone interact. energy: 1.384
local terms energy: -47.347923
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -15.096
flat angles C4'-P-C4' energy: -9.663
flat angles P-C4'-P energy: -4.875
tors. eta vs tors. theta energy: -2.647
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: 2
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -219.157430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.157430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.157430 (E_RNA)
where:
Base-Base interactions energy: -135.443
where: short stacking energy: -71.842
Base-Backbone interact. energy: -0.022
local terms energy: -83.692427
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -11.920
tors. eta vs tors. theta energy: -22.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -219.454842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.454842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.454842 (E_RNA)
where:
Base-Base interactions energy: -138.673
where: short stacking energy: -71.620
Base-Backbone interact. energy: -0.016
local terms energy: -80.766391
where:
bonds (distance) C4'-P energy: -17.204
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -14.353
flat angles P-C4'-P energy: -13.409
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: 3, replica: 8
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -209.300506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.300506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.300506 (E_RNA)
where:
Base-Base interactions energy: -139.492
where: short stacking energy: -63.071
Base-Backbone interact. energy: -0.240
local terms energy: -69.568205
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -11.377
flat angles C4'-P-C4' energy: -17.324
flat angles P-C4'-P energy: -11.200
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: 9
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -206.888279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.888279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.888279 (E_RNA)
where:
Base-Base interactions energy: -130.788
where: short stacking energy: -62.181
Base-Backbone interact. energy: -0.167
local terms energy: -75.932563
where:
bonds (distance) C4'-P energy: -15.361
bonds (distance) P-C4' energy: -12.976
flat angles C4'-P-C4' energy: -16.951
flat angles P-C4'-P energy: -11.631
tors. eta vs tors. theta energy: -19.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -117.378601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.378601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.378601 (E_RNA)
where:
Base-Base interactions energy: -57.825
where: short stacking energy: -46.138
Base-Backbone interact. energy: -0.414
local terms energy: -59.139532
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -9.611
flat angles P-C4'-P energy: -13.846
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: 6, replica: 4
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -122.790440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.790440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.790440 (E_RNA)
where:
Base-Base interactions energy: -65.217
where: short stacking energy: -35.490
Base-Backbone interact. energy: -0.201
local terms energy: -57.372536
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -11.222
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: -8.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -90.540237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.540237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.540237 (E_RNA)
where:
Base-Base interactions energy: -35.743
where: short stacking energy: -35.743
Base-Backbone interact. energy: -0.092
local terms energy: -54.705486
where:
bonds (distance) C4'-P energy: -10.214
bonds (distance) P-C4' energy: -11.728
flat angles C4'-P-C4' energy: -12.810
flat angles P-C4'-P energy: -12.727
tors. eta vs tors. theta energy: -7.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -88.099463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.099463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.099463 (E_RNA)
where:
Base-Base interactions energy: -34.337
where: short stacking energy: -30.806
Base-Backbone interact. energy: -0.116
local terms energy: -53.647049
where:
bonds (distance) C4'-P energy: -10.794
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -3.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -86.662934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.662934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.662934 (E_RNA)
where:
Base-Base interactions energy: -25.960
where: short stacking energy: -25.960
Base-Backbone interact. energy: -0.036
local terms energy: -60.666740
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -14.340
flat angles P-C4'-P energy: -7.715
tors. eta vs tors. theta energy: -9.459
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: 5
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -84.909261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.909261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.909261 (E_RNA)
where:
Base-Base interactions energy: -38.240
where: short stacking energy: -28.005
Base-Backbone interact. energy: 0.100
local terms energy: -46.769259
where:
bonds (distance) C4'-P energy: -11.483
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -7.492
tors. eta vs tors. theta energy: 2.217
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: 367
Temperature: 0.900000
Total energy: -218.611472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.611472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.611472 (E_RNA)
where:
Base-Base interactions energy: -143.828
where: short stacking energy: -77.513
Base-Backbone interact. energy: -0.047
local terms energy: -74.735810
where:
bonds (distance) C4'-P energy: -11.937
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -11.144
tors. eta vs tors. theta energy: -22.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -210.863548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.863548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.863548 (E_RNA)
where:
Base-Base interactions energy: -131.983
where: short stacking energy: -64.978
Base-Backbone interact. energy: -0.117
local terms energy: -78.763700
where:
bonds (distance) C4'-P energy: -14.872
bonds (distance) P-C4' energy: -16.481
flat angles C4'-P-C4' energy: -14.440
flat angles P-C4'-P energy: -13.998
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: 3, replica: 8
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -202.178055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.178055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.178055 (E_RNA)
where:
Base-Base interactions energy: -136.453
where: short stacking energy: -65.157
Base-Backbone interact. energy: -0.829
local terms energy: -64.896063
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -8.594
flat angles C4'-P-C4' energy: -16.444
flat angles P-C4'-P energy: -8.801
tors. eta vs tors. theta energy: -18.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -208.493691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.493691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.493691 (E_RNA)
where:
Base-Base interactions energy: -136.809
where: short stacking energy: -69.007
Base-Backbone interact. energy: -0.114
local terms energy: -71.571163
where:
bonds (distance) C4'-P energy: -5.491
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -16.460
flat angles P-C4'-P energy: -12.608
tors. eta vs tors. theta energy: -22.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -118.933837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.933837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.933837 (E_RNA)
where:
Base-Base interactions energy: -54.830
where: short stacking energy: -53.127
Base-Backbone interact. energy: -0.022
local terms energy: -64.081568
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -11.290
flat angles P-C4'-P energy: -12.799
tors. eta vs tors. theta energy: -12.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -144.190132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.190132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.190132 (E_RNA)
where:
Base-Base interactions energy: -90.443
where: short stacking energy: -49.076
Base-Backbone interact. energy: -0.296
local terms energy: -53.451554
where:
bonds (distance) C4'-P energy: -8.481
bonds (distance) P-C4' energy: -15.070
flat angles C4'-P-C4' energy: -13.016
flat angles P-C4'-P energy: -9.596
tors. eta vs tors. theta energy: -7.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -97.611635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.611635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.611635 (E_RNA)
where:
Base-Base interactions energy: -35.655
where: short stacking energy: -35.655
Base-Backbone interact. energy: -0.149
local terms energy: -61.806859
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -16.196
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -9.279
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: 3
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -83.658846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.658846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.658846 (E_RNA)
where:
Base-Base interactions energy: -23.521
where: short stacking energy: -23.200
Base-Backbone interact. energy: -0.201
local terms energy: -59.937147
where:
bonds (distance) C4'-P energy: -16.470
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -16.000
flat angles P-C4'-P energy: -7.026
tors. eta vs tors. theta energy: -3.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -79.439367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.439367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.439367 (E_RNA)
where:
Base-Base interactions energy: -27.409
where: short stacking energy: -27.409
Base-Backbone interact. energy: -0.099
local terms energy: -51.930968
where:
bonds (distance) C4'-P energy: -11.466
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -13.314
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: -1.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -66.338493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.338493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.338493 (E_RNA)
where:
Base-Base interactions energy: -24.674
where: short stacking energy: -21.950
Base-Backbone interact. energy: 0.194
local terms energy: -41.858802
where:
bonds (distance) C4'-P energy: -14.793
bonds (distance) P-C4' energy: -7.828
flat angles C4'-P-C4' energy: -11.751
flat angles P-C4'-P energy: -9.079
tors. eta vs tors. theta energy: 1.593
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: 1, replica: 6
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -203.946933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.946933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.946933 (E_RNA)
where:
Base-Base interactions energy: -124.731
where: short stacking energy: -62.840
Base-Backbone interact. energy: -0.106
local terms energy: -79.109756
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -17.362
flat angles P-C4'-P energy: -15.098
tors. eta vs tors. theta energy: -16.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -214.199105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.199105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.199105 (E_RNA)
where:
Base-Base interactions energy: -141.991
where: short stacking energy: -68.558
Base-Backbone interact. energy: -0.437
local terms energy: -71.771763
where:
bonds (distance) C4'-P energy: -9.226
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -9.304
tors. eta vs tors. theta energy: -20.442
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: 3, replica: 8
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -222.127736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.127736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.127736 (E_RNA)
where:
Base-Base interactions energy: -143.650
where: short stacking energy: -67.672
Base-Backbone interact. energy: -0.007
local terms energy: -78.470798
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -16.035
flat angles P-C4'-P energy: -10.631
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: 4, replica: 9
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -207.738050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.738050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.738050 (E_RNA)
where:
Base-Base interactions energy: -130.596
where: short stacking energy: -62.779
Base-Backbone interact. energy: -0.014
local terms energy: -77.128446
where:
bonds (distance) C4'-P energy: -13.220
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -11.517
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: 5, replica: 4
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -160.604887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.604887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.604887 (E_RNA)
where:
Base-Base interactions energy: -104.989
where: short stacking energy: -58.013
Base-Backbone interact. energy: -0.164
local terms energy: -55.451844
where:
bonds (distance) C4'-P energy: -6.708
bonds (distance) P-C4' energy: -14.599
flat angles C4'-P-C4' energy: -13.448
flat angles P-C4'-P energy: -6.654
tors. eta vs tors. theta energy: -14.043
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: 368
Temperature: 1.150000
Total energy: -96.880845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.880845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.880845 (E_RNA)
where:
Base-Base interactions energy: -47.835
where: short stacking energy: -33.525
Base-Backbone interact. energy: -0.164
local terms energy: -48.881683
where:
bonds (distance) C4'-P energy: -10.233
bonds (distance) P-C4' energy: -11.051
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -11.166
tors. eta vs tors. theta energy: -2.024
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: 368
Temperature: 1.200000
Total energy: -91.404986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.404986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.404986 (E_RNA)
where:
Base-Base interactions energy: -43.606
where: short stacking energy: -36.823
Base-Backbone interact. energy: 0.237
local terms energy: -48.036457
where:
bonds (distance) C4'-P energy: -12.286
bonds (distance) P-C4' energy: -14.478
flat angles C4'-P-C4' energy: -12.469
flat angles P-C4'-P energy: -5.991
tors. eta vs tors. theta energy: -2.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -74.527797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.527797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.527797 (E_RNA)
where:
Base-Base interactions energy: -18.733
where: short stacking energy: -15.792
Base-Backbone interact. energy: -0.061
local terms energy: -55.734559
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -14.307
flat angles C4'-P-C4' energy: -12.663
flat angles P-C4'-P energy: -11.383
tors. eta vs tors. theta energy: -2.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -83.113136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.113136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.113136 (E_RNA)
where:
Base-Base interactions energy: -32.029
where: short stacking energy: -25.660
Base-Backbone interact. energy: -0.393
local terms energy: -50.690663
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -14.944
flat angles P-C4'-P energy: -2.640
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: 10
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -81.828726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.828726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.828726 (E_RNA)
where:
Base-Base interactions energy: -33.021
where: short stacking energy: -31.641
Base-Backbone interact. energy: 1.473
local terms energy: -50.280844
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -11.479
flat angles C4'-P-C4' energy: -10.720
flat angles P-C4'-P energy: -9.405
tors. eta vs tors. theta energy: -5.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -212.227316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.227316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.227316 (E_RNA)
where:
Base-Base interactions energy: -139.267
where: short stacking energy: -72.668
Base-Backbone interact. energy: -0.030
local terms energy: -72.929569
where:
bonds (distance) C4'-P energy: -12.172
bonds (distance) P-C4' energy: -13.248
flat angles C4'-P-C4' energy: -16.024
flat angles P-C4'-P energy: -12.689
tors. eta vs tors. theta energy: -18.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -214.982858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.982858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.982858 (E_RNA)
where:
Base-Base interactions energy: -140.524
where: short stacking energy: -70.976
Base-Backbone interact. energy: -1.111
local terms energy: -73.348226
where:
bonds (distance) C4'-P energy: -11.870
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -18.135
flat angles P-C4'-P energy: -10.032
tors. eta vs tors. theta energy: -18.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -194.799377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.799377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.799377 (E_RNA)
where:
Base-Base interactions energy: -122.054
where: short stacking energy: -57.924
Base-Backbone interact. energy: -0.292
local terms energy: -72.453059
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -18.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -172.839087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.839087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.839087 (E_RNA)
where:
Base-Base interactions energy: -112.882
where: short stacking energy: -68.713
Base-Backbone interact. energy: 0.309
local terms energy: -60.266279
where:
bonds (distance) C4'-P energy: -10.365
bonds (distance) P-C4' energy: -10.791
flat angles C4'-P-C4' energy: -11.240
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: -18.480
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: 9
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -188.276797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.276797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.276797 (E_RNA)
where:
Base-Base interactions energy: -119.556
where: short stacking energy: -60.085
Base-Backbone interact. energy: -1.524
local terms energy: -67.196249
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -13.686
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -6.032
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: 6, replica: 3
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -89.008610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.008610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.008610 (E_RNA)
where:
Base-Base interactions energy: -31.803
where: short stacking energy: -32.003
Base-Backbone interact. energy: -0.127
local terms energy: -57.079121
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -13.084
flat angles P-C4'-P energy: -8.893
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: 7, replica: 7
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -97.904709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.904709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.904709 (E_RNA)
where:
Base-Base interactions energy: -49.219
where: short stacking energy: -31.887
Base-Backbone interact. energy: -0.040
local terms energy: -48.645560
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -4.931
flat angles P-C4'-P energy: -5.625
tors. eta vs tors. theta energy: -5.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -88.509036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.509036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.509036 (E_RNA)
where:
Base-Base interactions energy: -33.962
where: short stacking energy: -33.619
Base-Backbone interact. energy: -0.008
local terms energy: -54.539147
where:
bonds (distance) C4'-P energy: -11.307
bonds (distance) P-C4' energy: -13.105
flat angles C4'-P-C4' energy: -14.641
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: -7.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -84.141155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.141155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.141155 (E_RNA)
where:
Base-Base interactions energy: -39.677
where: short stacking energy: -29.801
Base-Backbone interact. energy: -0.004
local terms energy: -44.460139
where:
bonds (distance) C4'-P energy: -12.597
bonds (distance) P-C4' energy: -10.979
flat angles C4'-P-C4' energy: -11.041
flat angles P-C4'-P energy: -1.227
tors. eta vs tors. theta energy: -8.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -83.686082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.686082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.686082 (E_RNA)
where:
Base-Base interactions energy: -31.842
where: short stacking energy: -31.622
Base-Backbone interact. energy: -0.232
local terms energy: -51.611397
where:
bonds (distance) C4'-P energy: -14.386
bonds (distance) P-C4' energy: -13.692
flat angles C4'-P-C4' energy: -11.544
flat angles P-C4'-P energy: -8.929
tors. eta vs tors. theta energy: -3.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -222.157512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.157512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.157512 (E_RNA)
where:
Base-Base interactions energy: -138.904
where: short stacking energy: -69.663
Base-Backbone interact. energy: -1.067
local terms energy: -82.186926
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -16.089
flat angles P-C4'-P energy: -13.136
tors. eta vs tors. theta energy: -19.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -211.628096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.628096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.628096 (E_RNA)
where:
Base-Base interactions energy: -132.667
where: short stacking energy: -74.224
Base-Backbone interact. energy: -0.790
local terms energy: -78.171932
where:
bonds (distance) C4'-P energy: -12.160
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -16.597
flat angles P-C4'-P energy: -11.894
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: 2
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -207.561131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.561131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.561131 (E_RNA)
where:
Base-Base interactions energy: -132.120
where: short stacking energy: -72.897
Base-Backbone interact. energy: -0.150
local terms energy: -75.291483
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -11.225
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -14.573
tors. eta vs tors. theta energy: -19.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -166.571445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.571445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.571445 (E_RNA)
where:
Base-Base interactions energy: -97.554
where: short stacking energy: -57.451
Base-Backbone interact. energy: 0.050
local terms energy: -69.067250
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -16.342
flat angles P-C4'-P energy: -13.157
tors. eta vs tors. theta energy: -12.909
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: 5, replica: 9
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -191.926643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.926643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.926643 (E_RNA)
where:
Base-Base interactions energy: -121.825
where: short stacking energy: -54.273
Base-Backbone interact. energy: -0.124
local terms energy: -69.977977
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -16.761
flat angles C4'-P-C4' energy: -14.501
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -13.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -101.176928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.176928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.176928 (E_RNA)
where:
Base-Base interactions energy: -42.504
where: short stacking energy: -35.230
Base-Backbone interact. energy: -0.087
local terms energy: -58.586515
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -14.767
flat angles P-C4'-P energy: -8.938
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: 7, replica: 1
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -101.210119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.210119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.210119 (E_RNA)
where:
Base-Base interactions energy: -47.251
where: short stacking energy: -32.757
Base-Backbone interact. energy: -0.106
local terms energy: -53.852578
where:
bonds (distance) C4'-P energy: -11.465
bonds (distance) P-C4' energy: -15.893
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -7.346
tors. eta vs tors. theta energy: -5.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -85.112310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.112310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.112310 (E_RNA)
where:
Base-Base interactions energy: -40.461
where: short stacking energy: -27.298
Base-Backbone interact. energy: -1.017
local terms energy: -43.633987
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -10.855
flat angles C4'-P-C4' energy: -11.028
flat angles P-C4'-P energy: -9.387
tors. eta vs tors. theta energy: 0.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -86.640466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.640466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.640466 (E_RNA)
where:
Base-Base interactions energy: -31.549
where: short stacking energy: -27.548
Base-Backbone interact. energy: -0.024
local terms energy: -55.068216
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -13.949
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -5.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -84.447561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.447561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.447561 (E_RNA)
where:
Base-Base interactions energy: -29.310
where: short stacking energy: -29.310
Base-Backbone interact. energy: -0.005
local terms energy: -55.131878
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -15.398
flat angles C4'-P-C4' energy: -10.361
flat angles P-C4'-P energy: -10.494
tors. eta vs tors. theta energy: -5.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -217.743563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.743563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.743563 (E_RNA)
where:
Base-Base interactions energy: -140.283
where: short stacking energy: -75.880
Base-Backbone interact. energy: -0.008
local terms energy: -77.452909
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -17.027
flat angles P-C4'-P energy: -12.895
tors. eta vs tors. theta energy: -18.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -202.609599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.609599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.609599 (E_RNA)
where:
Base-Base interactions energy: -125.524
where: short stacking energy: -64.966
Base-Backbone interact. energy: -0.001
local terms energy: -77.084416
where:
bonds (distance) C4'-P energy: -17.067
bonds (distance) P-C4' energy: -14.309
flat angles C4'-P-C4' energy: -16.470
flat angles P-C4'-P energy: -11.573
tors. eta vs tors. theta energy: -17.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -195.952217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.952217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.952217 (E_RNA)
where:
Base-Base interactions energy: -123.686
where: short stacking energy: -64.437
Base-Backbone interact. energy: -0.003
local terms energy: -72.263118
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -15.229
flat angles C4'-P-C4' energy: -16.078
flat angles P-C4'-P energy: -8.670
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: 371
Temperature: 1.050000
Total energy: -175.556971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.556971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.556971 (E_RNA)
where:
Base-Base interactions energy: -119.279
where: short stacking energy: -55.723
Base-Backbone interact. energy: -0.060
local terms energy: -56.218198
where:
bonds (distance) C4'-P energy: -10.120
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -13.677
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -9.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -161.655627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.655627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.655627 (E_RNA)
where:
Base-Base interactions energy: -100.169
where: short stacking energy: -55.276
Base-Backbone interact. energy: -0.041
local terms energy: -61.445474
where:
bonds (distance) C4'-P energy: -10.166
bonds (distance) P-C4' energy: -9.453
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: -17.955
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: 1
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -84.404422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.404422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.404422 (E_RNA)
where:
Base-Base interactions energy: -29.850
where: short stacking energy: -29.850
Base-Backbone interact. energy: -0.486
local terms energy: -54.068469
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -15.713
flat angles C4'-P-C4' energy: -8.822
flat angles P-C4'-P energy: -9.482
tors. eta vs tors. theta energy: -3.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -89.141068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.141068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.141068 (E_RNA)
where:
Base-Base interactions energy: -37.025
where: short stacking energy: -30.844
Base-Backbone interact. energy: -0.106
local terms energy: -52.010255
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -14.005
flat angles C4'-P-C4' energy: -13.729
flat angles P-C4'-P energy: -11.602
tors. eta vs tors. theta energy: -1.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -82.855017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.855017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.855017 (E_RNA)
where:
Base-Base interactions energy: -34.585
where: short stacking energy: -30.922
Base-Backbone interact. energy: -0.108
local terms energy: -48.161759
where:
bonds (distance) C4'-P energy: -6.833
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -10.808
flat angles P-C4'-P energy: -12.998
tors. eta vs tors. theta energy: -1.764
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: 7
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -92.064285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.064285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.064285 (E_RNA)
where:
Base-Base interactions energy: -34.826
where: short stacking energy: -30.352
Base-Backbone interact. energy: -0.478
local terms energy: -56.760181
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -12.114
flat angles P-C4'-P energy: -8.497
tors. eta vs tors. theta energy: -6.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -87.010026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.010026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.010026 (E_RNA)
where:
Base-Base interactions energy: -26.666
where: short stacking energy: -22.806
Base-Backbone interact. energy: -0.090
local terms energy: -60.253298
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -15.259
flat angles C4'-P-C4' energy: -13.555
flat angles P-C4'-P energy: -11.573
tors. eta vs tors. theta energy: -3.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -214.837344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.837344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.837344 (E_RNA)
where:
Base-Base interactions energy: -139.506
where: short stacking energy: -69.297
Base-Backbone interact. energy: -0.028
local terms energy: -75.303281
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -10.130
flat angles C4'-P-C4' energy: -17.189
flat angles P-C4'-P energy: -13.226
tors. eta vs tors. theta energy: -20.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -210.980183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.980183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.980183 (E_RNA)
where:
Base-Base interactions energy: -136.709
where: short stacking energy: -68.386
Base-Backbone interact. energy: -0.053
local terms energy: -74.218340
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: -15.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -189.999023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.999023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.999023 (E_RNA)
where:
Base-Base interactions energy: -126.422
where: short stacking energy: -56.067
Base-Backbone interact. energy: -0.107
local terms energy: -63.469804
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -14.331
flat angles C4'-P-C4' energy: -10.783
flat angles P-C4'-P energy: -10.834
tors. eta vs tors. theta energy: -12.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -183.613013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.613013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.613013 (E_RNA)
where:
Base-Base interactions energy: -123.011
where: short stacking energy: -58.310
Base-Backbone interact. energy: 0.080
local terms energy: -60.681606
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -9.772
flat angles P-C4'-P energy: -6.570
tors. eta vs tors. theta energy: -14.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -167.821982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.821982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.821982 (E_RNA)
where:
Base-Base interactions energy: -108.427
where: short stacking energy: -54.409
Base-Backbone interact. energy: 0.004
local terms energy: -59.398826
where:
bonds (distance) C4'-P energy: -12.532
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -10.770
flat angles P-C4'-P energy: -9.430
tors. eta vs tors. theta energy: -12.616
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: 1
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -111.835327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.835327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.835327 (E_RNA)
where:
Base-Base interactions energy: -51.455
where: short stacking energy: -41.629
Base-Backbone interact. energy: 0.047
local terms energy: -60.427568
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -15.893
flat angles P-C4'-P energy: -8.800
tors. eta vs tors. theta energy: -7.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -94.745023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.745023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.745023 (E_RNA)
where:
Base-Base interactions energy: -34.106
where: short stacking energy: -34.106
Base-Backbone interact. energy: -0.039
local terms energy: -60.600339
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -9.677
tors. eta vs tors. theta energy: -5.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -81.615334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.615334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.615334 (E_RNA)
where:
Base-Base interactions energy: -30.489
where: short stacking energy: -30.489
Base-Backbone interact. energy: -0.156
local terms energy: -50.970112
where:
bonds (distance) C4'-P energy: -10.137
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -6.460
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: 9, replica: 5
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -83.038570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.038570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.038570 (E_RNA)
where:
Base-Base interactions energy: -39.386
where: short stacking energy: -35.740
Base-Backbone interact. energy: -0.032
local terms energy: -43.620481
where:
bonds (distance) C4'-P energy: -5.181
bonds (distance) P-C4' energy: -12.383
flat angles C4'-P-C4' energy: -15.576
flat angles P-C4'-P energy: -4.782
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: 10, replica: 7
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -86.384907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.384907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.384907 (E_RNA)
where:
Base-Base interactions energy: -26.045
where: short stacking energy: -26.045
Base-Backbone interact. energy: -0.120
local terms energy: -60.219544
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -9.801
flat angles P-C4'-P energy: -13.394
tors. eta vs tors. theta energy: -4.708
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: 8
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -220.487686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.487686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.487686 (E_RNA)
where:
Base-Base interactions energy: -139.828
where: short stacking energy: -74.763
Base-Backbone interact. energy: -0.023
local terms energy: -80.636249
where:
bonds (distance) C4'-P energy: -16.635
bonds (distance) P-C4' energy: -14.444
flat angles C4'-P-C4' energy: -17.530
flat angles P-C4'-P energy: -14.190
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: 2, replica: 2
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -211.830320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.830320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.830320 (E_RNA)
where:
Base-Base interactions energy: -135.346
where: short stacking energy: -71.660
Base-Backbone interact. energy: -1.118
local terms energy: -75.366273
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -16.264
flat angles C4'-P-C4' energy: -17.375
flat angles P-C4'-P energy: -9.078
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: 3, replica: 9
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -200.451010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.451010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.451010 (E_RNA)
where:
Base-Base interactions energy: -142.469
where: short stacking energy: -66.376
Base-Backbone interact. energy: -0.123
local terms energy: -57.859668
where:
bonds (distance) C4'-P energy: -10.621
bonds (distance) P-C4' energy: -8.223
flat angles C4'-P-C4' energy: -13.449
flat angles P-C4'-P energy: -8.237
tors. eta vs tors. theta energy: -17.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -191.957984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.957984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.957984 (E_RNA)
where:
Base-Base interactions energy: -118.165
where: short stacking energy: -62.584
Base-Backbone interact. energy: -0.002
local terms energy: -73.791019
where:
bonds (distance) C4'-P energy: -17.275
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -13.324
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -15.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -147.319098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.319098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.319098 (E_RNA)
where:
Base-Base interactions energy: -88.640
where: short stacking energy: -45.675
Base-Backbone interact. energy: -0.275
local terms energy: -58.404553
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -12.588
flat angles C4'-P-C4' energy: -11.499
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -10.517
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: 1
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -126.345544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.345544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.345544 (E_RNA)
where:
Base-Base interactions energy: -64.344
where: short stacking energy: -42.752
Base-Backbone interact. energy: -0.033
local terms energy: -61.969064
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -6.666
tors. eta vs tors. theta energy: -14.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -90.715857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.715857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.715857 (E_RNA)
where:
Base-Base interactions energy: -29.138
where: short stacking energy: -29.138
Base-Backbone interact. energy: -0.041
local terms energy: -61.536106
where:
bonds (distance) C4'-P energy: -14.572
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -13.861
flat angles P-C4'-P energy: -8.286
tors. eta vs tors. theta energy: -9.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -101.375277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.375277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.375277 (E_RNA)
where:
Base-Base interactions energy: -41.033
where: short stacking energy: -28.756
Base-Backbone interact. energy: -1.604
local terms energy: -58.737734
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -12.526
flat angles C4'-P-C4' energy: -14.274
flat angles P-C4'-P energy: -9.712
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: 9, replica: 3
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -82.534683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.534683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.534683 (E_RNA)
where:
Base-Base interactions energy: -34.304
where: short stacking energy: -34.304
Base-Backbone interact. energy: -0.122
local terms energy: -48.109642
where:
bonds (distance) C4'-P energy: -11.578
bonds (distance) P-C4' energy: -14.312
flat angles C4'-P-C4' energy: -11.559
flat angles P-C4'-P energy: -9.033
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: 7
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -72.245415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.245415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.245415 (E_RNA)
where:
Base-Base interactions energy: -19.035
where: short stacking energy: -17.484
Base-Backbone interact. energy: -0.217
local terms energy: -52.993119
where:
bonds (distance) C4'-P energy: -13.779
bonds (distance) P-C4' energy: -16.749
flat angles C4'-P-C4' energy: -10.658
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -1.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -215.561253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.561253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.561253 (E_RNA)
where:
Base-Base interactions energy: -134.883
where: short stacking energy: -72.209
Base-Backbone interact. energy: -0.062
local terms energy: -80.615505
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -17.116
flat angles P-C4'-P energy: -12.869
tors. eta vs tors. theta energy: -22.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -216.431866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.431866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.431866 (E_RNA)
where:
Base-Base interactions energy: -142.586
where: short stacking energy: -66.842
Base-Backbone interact. energy: -0.987
local terms energy: -72.858041
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -8.323
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: 3, replica: 6
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -199.792245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.792245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.792245 (E_RNA)
where:
Base-Base interactions energy: -123.668
where: short stacking energy: -60.560
Base-Backbone interact. energy: 0.550
local terms energy: -76.674799
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -16.664
flat angles C4'-P-C4' energy: -18.471
flat angles P-C4'-P energy: -11.516
tors. eta vs tors. theta energy: -15.540
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: 374
Temperature: 1.050000
Total energy: -200.124443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.124443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.124443 (E_RNA)
where:
Base-Base interactions energy: -136.400
where: short stacking energy: -63.923
Base-Backbone interact. energy: 1.384
local terms energy: -65.107483
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -11.109
flat angles P-C4'-P energy: -6.610
tors. eta vs tors. theta energy: -14.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -146.924569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.924569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.924569 (E_RNA)
where:
Base-Base interactions energy: -85.970
where: short stacking energy: -40.968
Base-Backbone interact. energy: -0.131
local terms energy: -60.823625
where:
bonds (distance) C4'-P energy: -15.431
bonds (distance) P-C4' energy: -16.147
flat angles C4'-P-C4' energy: -15.932
flat angles P-C4'-P energy: -2.993
tors. eta vs tors. theta energy: -10.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -91.726494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.726494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.726494 (E_RNA)
where:
Base-Base interactions energy: -35.414
where: short stacking energy: -34.807
Base-Backbone interact. energy: -0.084
local terms energy: -56.229057
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -10.477
flat angles C4'-P-C4' energy: -12.296
flat angles P-C4'-P energy: -8.546
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: 7, replica: 5
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -84.661604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.661604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.661604 (E_RNA)
where:
Base-Base interactions energy: -43.670
where: short stacking energy: -30.581
Base-Backbone interact. energy: -0.167
local terms energy: -40.824723
where:
bonds (distance) C4'-P energy: -10.106
bonds (distance) P-C4' energy: -9.515
flat angles C4'-P-C4' energy: -11.640
flat angles P-C4'-P energy: -7.086
tors. eta vs tors. theta energy: -2.477
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: 374
Temperature: 1.250000
Total energy: -83.622226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.622226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.622226 (E_RNA)
where:
Base-Base interactions energy: -33.021
where: short stacking energy: -16.329
Base-Backbone interact. energy: 0.567
local terms energy: -51.167605
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -10.303
flat angles P-C4'-P energy: -9.205
tors. eta vs tors. theta energy: -0.076
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: 9, replica: 3
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -88.178028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.178028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.178028 (E_RNA)
where:
Base-Base interactions energy: -42.982
where: short stacking energy: -34.296
Base-Backbone interact. energy: -0.143
local terms energy: -45.053591
where:
bonds (distance) C4'-P energy: -16.106
bonds (distance) P-C4' energy: -11.390
flat angles C4'-P-C4' energy: -9.841
flat angles P-C4'-P energy: -5.755
tors. eta vs tors. theta energy: -1.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -81.469156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.469156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.469156 (E_RNA)
where:
Base-Base interactions energy: -27.419
where: short stacking energy: -23.672
Base-Backbone interact. energy: -0.176
local terms energy: -53.873438
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -12.396
flat angles P-C4'-P energy: -11.978
tors. eta vs tors. theta energy: 1.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -222.932841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.932841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.932841 (E_RNA)
where:
Base-Base interactions energy: -144.737
where: short stacking energy: -73.011
Base-Backbone interact. energy: 0.882
local terms energy: -79.077512
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -16.661
flat angles P-C4'-P energy: -7.908
tors. eta vs tors. theta energy: -22.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -213.801004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.801004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.801004 (E_RNA)
where:
Base-Base interactions energy: -139.140
where: short stacking energy: -73.555
Base-Backbone interact. energy: -0.001
local terms energy: -74.660069
where:
bonds (distance) C4'-P energy: -14.474
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -14.404
flat angles P-C4'-P energy: -13.400
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: 3, replica: 8
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -209.752133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.752133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.752133 (E_RNA)
where:
Base-Base interactions energy: -138.889
where: short stacking energy: -65.609
Base-Backbone interact. energy: -0.006
local terms energy: -70.857018
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -12.016
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -12.055
tors. eta vs tors. theta energy: -17.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -201.783854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.783854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.783854 (E_RNA)
where:
Base-Base interactions energy: -131.065
where: short stacking energy: -67.046
Base-Backbone interact. energy: -0.000
local terms energy: -70.718477
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -11.068
flat angles C4'-P-C4' energy: -16.359
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: -18.707
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: 375
Temperature: 1.100000
Total energy: -179.871309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.871309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.871309 (E_RNA)
where:
Base-Base interactions energy: -116.102
where: short stacking energy: -41.549
Base-Backbone interact. energy: -0.724
local terms energy: -63.044694
where:
bonds (distance) C4'-P energy: -9.984
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -16.074
flat angles P-C4'-P energy: -10.787
tors. eta vs tors. theta energy: -11.107
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: 1
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -88.549510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.549510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.549510 (E_RNA)
where:
Base-Base interactions energy: -40.787
where: short stacking energy: -32.274
Base-Backbone interact. energy: -0.035
local terms energy: -47.727178
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -10.377
flat angles C4'-P-C4' energy: -14.727
flat angles P-C4'-P energy: -9.810
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: 7, replica: 5
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -92.958382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.958382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.958382 (E_RNA)
where:
Base-Base interactions energy: -37.462
where: short stacking energy: -35.448
Base-Backbone interact. energy: -0.262
local terms energy: -55.234103
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -13.282
flat angles C4'-P-C4' energy: -15.355
flat angles P-C4'-P energy: -11.509
tors. eta vs tors. theta energy: -3.423
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: 3
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -101.825069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.825069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.825069 (E_RNA)
where:
Base-Base interactions energy: -43.820
where: short stacking energy: -43.696
Base-Backbone interact. energy: -0.160
local terms energy: -57.845283
where:
bonds (distance) C4'-P energy: -11.971
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -13.833
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -8.838
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: 10
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -89.129668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.129668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.129668 (E_RNA)
where:
Base-Base interactions energy: -45.113
where: short stacking energy: -32.161
Base-Backbone interact. energy: -0.349
local terms energy: -43.667919
where:
bonds (distance) C4'-P energy: -9.501
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -10.094
flat angles P-C4'-P energy: -6.295
tors. eta vs tors. theta energy: -2.109
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: 7
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -89.657445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.657445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.657445 (E_RNA)
where:
Base-Base interactions energy: -35.380
where: short stacking energy: -21.056
Base-Backbone interact. energy: -0.549
local terms energy: -53.728432
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -10.698
flat angles P-C4'-P energy: -8.223
tors. eta vs tors. theta energy: -4.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -209.070197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.070197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.070197 (E_RNA)
where:
Base-Base interactions energy: -140.497
where: short stacking energy: -61.527
Base-Backbone interact. energy: 0.008
local terms energy: -68.582070
where:
bonds (distance) C4'-P energy: -12.554
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -14.851
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: 376
Temperature: 0.950000
Total energy: -215.774630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.774630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.774630 (E_RNA)
where:
Base-Base interactions energy: -140.395
where: short stacking energy: -69.481
Base-Backbone interact. energy: -0.040
local terms energy: -75.339074
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -12.935
flat angles C4'-P-C4' energy: -14.702
flat angles P-C4'-P energy: -12.651
tors. eta vs tors. theta energy: -22.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -212.352404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.352404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.352404 (E_RNA)
where:
Base-Base interactions energy: -137.359
where: short stacking energy: -64.499
Base-Backbone interact. energy: -0.534
local terms energy: -74.459121
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -10.290
tors. eta vs tors. theta energy: -20.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -199.626519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.626519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.626519 (E_RNA)
where:
Base-Base interactions energy: -129.173
where: short stacking energy: -63.361
Base-Backbone interact. energy: -0.661
local terms energy: -69.792860
where:
bonds (distance) C4'-P energy: -11.793
bonds (distance) P-C4' energy: -13.928
flat angles C4'-P-C4' energy: -13.666
flat angles P-C4'-P energy: -10.363
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: 5, replica: 9
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -188.312333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.312333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.312333 (E_RNA)
where:
Base-Base interactions energy: -123.103
where: short stacking energy: -60.451
Base-Backbone interact. energy: -0.061
local terms energy: -65.147861
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -6.569
tors. eta vs tors. theta energy: -13.253
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: 1
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -102.527378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.527378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.527378 (E_RNA)
where:
Base-Base interactions energy: -47.913
where: short stacking energy: -33.520
Base-Backbone interact. energy: -0.065
local terms energy: -54.548824
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -5.591
tors. eta vs tors. theta energy: -1.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -92.289916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.289916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.289916 (E_RNA)
where:
Base-Base interactions energy: -39.162
where: short stacking energy: -34.657
Base-Backbone interact. energy: -0.142
local terms energy: -52.985559
where:
bonds (distance) C4'-P energy: -11.300
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -10.178
flat angles P-C4'-P energy: -6.796
tors. eta vs tors. theta energy: -12.148
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: 5
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -74.933876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.933876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.933876 (E_RNA)
where:
Base-Base interactions energy: -29.034
where: short stacking energy: -29.002
Base-Backbone interact. energy: 0.202
local terms energy: -46.102306
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -13.647
flat angles C4'-P-C4' energy: -7.955
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -0.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -92.136092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.136092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.136092 (E_RNA)
where:
Base-Base interactions energy: -33.205
where: short stacking energy: -33.205
Base-Backbone interact. energy: 2.502
local terms energy: -61.433207
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -10.173
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -9.647
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: 10, replica: 10
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -71.736836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.736836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.736836 (E_RNA)
where:
Base-Base interactions energy: -17.741
where: short stacking energy: -12.125
Base-Backbone interact. energy: -0.414
local terms energy: -53.581478
where:
bonds (distance) C4'-P energy: -17.418
bonds (distance) P-C4' energy: -15.284
flat angles C4'-P-C4' energy: -13.458
flat angles P-C4'-P energy: -9.867
tors. eta vs tors. theta energy: 2.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -217.532830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.532830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.532830 (E_RNA)
where:
Base-Base interactions energy: -152.545
where: short stacking energy: -68.108
Base-Backbone interact. energy: -0.120
local terms energy: -64.867678
where:
bonds (distance) C4'-P energy: -11.505
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -16.280
flat angles P-C4'-P energy: -4.694
tors. eta vs tors. theta energy: -14.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -195.700212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.700212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.700212 (E_RNA)
where:
Base-Base interactions energy: -131.088
where: short stacking energy: -50.288
Base-Backbone interact. energy: 0.705
local terms energy: -65.317049
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -16.296
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -10.845
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: 3, replica: 2
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -216.686974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.686974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.686974 (E_RNA)
where:
Base-Base interactions energy: -138.810
where: short stacking energy: -75.419
Base-Backbone interact. energy: -0.505
local terms energy: -77.372668
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -11.384
flat angles C4'-P-C4' energy: -18.670
flat angles P-C4'-P energy: -8.833
tors. eta vs tors. theta energy: -22.908
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: 8
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -210.639843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.639843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.639843 (E_RNA)
where:
Base-Base interactions energy: -133.884
where: short stacking energy: -68.320
Base-Backbone interact. energy: -0.742
local terms energy: -76.013595
where:
bonds (distance) C4'-P energy: -8.337
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -14.092
tors. eta vs tors. theta energy: -20.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -173.819758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.819758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.819758 (E_RNA)
where:
Base-Base interactions energy: -114.185
where: short stacking energy: -54.880
Base-Backbone interact. energy: 2.043
local terms energy: -61.677523
where:
bonds (distance) C4'-P energy: -12.870
bonds (distance) P-C4' energy: -13.782
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -5.730
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: 6, replica: 3
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -100.383517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.383517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.383517 (E_RNA)
where:
Base-Base interactions energy: -46.679
where: short stacking energy: -28.190
Base-Backbone interact. energy: -0.200
local terms energy: -53.505286
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -16.891
flat angles P-C4'-P energy: -7.037
tors. eta vs tors. theta energy: -0.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -92.242737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.242737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.242737 (E_RNA)
where:
Base-Base interactions energy: -43.302
where: short stacking energy: -26.890
Base-Backbone interact. energy: -0.381
local terms energy: -48.559699
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -12.854
flat angles C4'-P-C4' energy: -14.458
flat angles P-C4'-P energy: -4.736
tors. eta vs tors. theta energy: -3.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -87.850085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.850085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.850085 (E_RNA)
where:
Base-Base interactions energy: -45.171
where: short stacking energy: -24.833
Base-Backbone interact. energy: -0.365
local terms energy: -42.314277
where:
bonds (distance) C4'-P energy: -11.877
bonds (distance) P-C4' energy: -9.308
flat angles C4'-P-C4' energy: -12.876
flat angles P-C4'-P energy: -6.284
tors. eta vs tors. theta energy: -1.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -85.016343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.016343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.016343 (E_RNA)
where:
Base-Base interactions energy: -35.708
where: short stacking energy: -34.467
Base-Backbone interact. energy: -0.130
local terms energy: -49.178103
where:
bonds (distance) C4'-P energy: -11.526
bonds (distance) P-C4' energy: -4.527
flat angles C4'-P-C4' energy: -17.238
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -5.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -86.274820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.274820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.274820 (E_RNA)
where:
Base-Base interactions energy: -44.202
where: short stacking energy: -39.813
Base-Backbone interact. energy: -0.121
local terms energy: -41.951974
where:
bonds (distance) C4'-P energy: -8.230
bonds (distance) P-C4' energy: -12.552
flat angles C4'-P-C4' energy: -10.298
flat angles P-C4'-P energy: -6.963
tors. eta vs tors. theta energy: -3.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -204.588171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.588171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.588171 (E_RNA)
where:
Base-Base interactions energy: -133.149
where: short stacking energy: -59.927
Base-Backbone interact. energy: -0.175
local terms energy: -71.263755
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -14.091
flat angles C4'-P-C4' energy: -16.515
flat angles P-C4'-P energy: -10.619
tors. eta vs tors. theta energy: -13.219
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: 6
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -215.739642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.739642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.739642 (E_RNA)
where:
Base-Base interactions energy: -140.151
where: short stacking energy: -71.624
Base-Backbone interact. energy: -0.091
local terms energy: -75.497370
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -16.941
flat angles P-C4'-P energy: -9.721
tors. eta vs tors. theta energy: -19.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -216.034421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.034421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.034421 (E_RNA)
where:
Base-Base interactions energy: -141.677
where: short stacking energy: -75.773
Base-Backbone interact. energy: -0.269
local terms energy: -74.088426
where:
bonds (distance) C4'-P energy: -10.985
bonds (distance) P-C4' energy: -13.168
flat angles C4'-P-C4' energy: -17.906
flat angles P-C4'-P energy: -10.991
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: 4, replica: 8
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -203.567697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.567697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.567697 (E_RNA)
where:
Base-Base interactions energy: -130.409
where: short stacking energy: -61.922
Base-Backbone interact. energy: -0.094
local terms energy: -73.064588
where:
bonds (distance) C4'-P energy: -16.503
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -15.355
flat angles P-C4'-P energy: -9.264
tors. eta vs tors. theta energy: -16.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -176.037617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.037617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.037617 (E_RNA)
where:
Base-Base interactions energy: -107.284
where: short stacking energy: -52.570
Base-Backbone interact. energy: -0.175
local terms energy: -68.579260
where:
bonds (distance) C4'-P energy: -12.561
bonds (distance) P-C4' energy: -13.717
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -13.398
tors. eta vs tors. theta energy: -12.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -98.217379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.217379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.217379 (E_RNA)
where:
Base-Base interactions energy: -39.720
where: short stacking energy: -35.629
Base-Backbone interact. energy: -0.113
local terms energy: -58.384406
where:
bonds (distance) C4'-P energy: -15.042
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -13.368
flat angles P-C4'-P energy: -7.449
tors. eta vs tors. theta energy: -3.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -88.576639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.576639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.576639 (E_RNA)
where:
Base-Base interactions energy: -33.877
where: short stacking energy: -33.877
Base-Backbone interact. energy: -0.316
local terms energy: -54.383761
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -11.870
flat angles P-C4'-P energy: -7.954
tors. eta vs tors. theta energy: -2.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -98.069468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.069468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.069468 (E_RNA)
where:
Base-Base interactions energy: -36.967
where: short stacking energy: -36.199
Base-Backbone interact. energy: -0.131
local terms energy: -60.971461
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -13.995
flat angles P-C4'-P energy: -8.236
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: 9, replica: 10
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -82.875660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.875660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.875660 (E_RNA)
where:
Base-Base interactions energy: -33.811
where: short stacking energy: -21.505
Base-Backbone interact. energy: -0.155
local terms energy: -48.909627
where:
bonds (distance) C4'-P energy: -10.802
bonds (distance) P-C4' energy: -16.422
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -1.960
tors. eta vs tors. theta energy: -5.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -82.934185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.934185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.934185 (E_RNA)
where:
Base-Base interactions energy: -33.671
where: short stacking energy: -33.671
Base-Backbone interact. energy: -0.124
local terms energy: -49.139067
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -14.540
flat angles C4'-P-C4' energy: -7.520
flat angles P-C4'-P energy: -5.803
tors. eta vs tors. theta energy: -6.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -222.377795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.377795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.377795 (E_RNA)
where:
Base-Base interactions energy: -144.789
where: short stacking energy: -72.560
Base-Backbone interact. energy: -0.064
local terms energy: -77.524848
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -16.618
flat angles P-C4'-P energy: -12.504
tors. eta vs tors. theta energy: -19.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -214.980577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.980577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.980577 (E_RNA)
where:
Base-Base interactions energy: -139.274
where: short stacking energy: -75.768
Base-Backbone interact. energy: -0.060
local terms energy: -75.646787
where:
bonds (distance) C4'-P energy: -10.447
bonds (distance) P-C4' energy: -14.778
flat angles C4'-P-C4' energy: -17.825
flat angles P-C4'-P energy: -8.922
tors. eta vs tors. theta energy: -23.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -212.733703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.733703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.733703 (E_RNA)
where:
Base-Base interactions energy: -132.157
where: short stacking energy: -68.622
Base-Backbone interact. energy: -0.004
local terms energy: -80.572062
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -12.982
flat angles C4'-P-C4' energy: -17.350
flat angles P-C4'-P energy: -14.045
tors. eta vs tors. theta energy: -22.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -202.664928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.664928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.664928 (E_RNA)
where:
Base-Base interactions energy: -120.637
where: short stacking energy: -59.779
Base-Backbone interact. energy: -0.004
local terms energy: -82.023545
where:
bonds (distance) C4'-P energy: -16.652
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -14.066
tors. eta vs tors. theta energy: -20.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -180.291221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.291221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.291221 (E_RNA)
where:
Base-Base interactions energy: -118.571
where: short stacking energy: -52.398
Base-Backbone interact. energy: -0.339
local terms energy: -61.381085
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -12.281
flat angles C4'-P-C4' energy: -13.681
flat angles P-C4'-P energy: -9.534
tors. eta vs tors. theta energy: -11.377
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: 3
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -101.940967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.940967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.940967 (E_RNA)
where:
Base-Base interactions energy: -42.527
where: short stacking energy: -42.527
Base-Backbone interact. energy: -0.598
local terms energy: -58.815959
where:
bonds (distance) C4'-P energy: -10.083
bonds (distance) P-C4' energy: -18.715
flat angles C4'-P-C4' energy: -13.712
flat angles P-C4'-P energy: -6.870
tors. eta vs tors. theta energy: -9.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -92.817795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.817795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.817795 (E_RNA)
where:
Base-Base interactions energy: -38.482
where: short stacking energy: -35.715
Base-Backbone interact. energy: -0.781
local terms energy: -53.555426
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -10.518
flat angles C4'-P-C4' energy: -12.866
flat angles P-C4'-P energy: -8.061
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: 10
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -78.384806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.384806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.384806 (E_RNA)
where:
Base-Base interactions energy: -28.993
where: short stacking energy: -23.157
Base-Backbone interact. energy: -0.859
local terms energy: -48.532532
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -10.891
flat angles C4'-P-C4' energy: -14.813
flat angles P-C4'-P energy: -4.885
tors. eta vs tors. theta energy: -2.268
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: 1
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -79.070891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.070891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.070891 (E_RNA)
where:
Base-Base interactions energy: -34.725
where: short stacking energy: -34.725
Base-Backbone interact. energy: -0.353
local terms energy: -43.992922
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -3.299
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -8.606
tors. eta vs tors. theta energy: -4.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -78.860340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.860340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.860340 (E_RNA)
where:
Base-Base interactions energy: -33.137
where: short stacking energy: -28.647
Base-Backbone interact. energy: -0.296
local terms energy: -45.428245
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -12.093
flat angles C4'-P-C4' energy: -11.469
flat angles P-C4'-P energy: -4.834
tors. eta vs tors. theta energy: -1.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -221.677628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.677628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.677628 (E_RNA)
where:
Base-Base interactions energy: -147.616
where: short stacking energy: -75.293
Base-Backbone interact. energy: -0.783
local terms energy: -73.278530
where:
bonds (distance) C4'-P energy: -12.513
bonds (distance) P-C4' energy: -14.098
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -8.768
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: 2, replica: 4
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -216.922597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.922597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.922597 (E_RNA)
where:
Base-Base interactions energy: -145.042
where: short stacking energy: -73.522
Base-Backbone interact. energy: -0.041
local terms energy: -71.839815
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -12.659
flat angles P-C4'-P energy: -11.196
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: 3, replica: 8
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -211.835341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.835341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.835341 (E_RNA)
where:
Base-Base interactions energy: -132.273
where: short stacking energy: -67.709
Base-Backbone interact. energy: -0.525
local terms energy: -79.037490
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -12.205
tors. eta vs tors. theta energy: -19.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -208.506255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.506255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.506255 (E_RNA)
where:
Base-Base interactions energy: -129.906
where: short stacking energy: -67.163
Base-Backbone interact. energy: -1.029
local terms energy: -77.571388
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -16.764
flat angles P-C4'-P energy: -11.058
tors. eta vs tors. theta energy: -18.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -195.129131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.129131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.129131 (E_RNA)
where:
Base-Base interactions energy: -127.796
where: short stacking energy: -43.388
Base-Backbone interact. energy: -0.316
local terms energy: -67.017300
where:
bonds (distance) C4'-P energy: -8.360
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -17.076
flat angles P-C4'-P energy: -10.420
tors. eta vs tors. theta energy: -14.713
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: 3
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -104.612717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.612717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.612717 (E_RNA)
where:
Base-Base interactions energy: -56.059
where: short stacking energy: -36.060
Base-Backbone interact. energy: -0.236
local terms energy: -48.317716
where:
bonds (distance) C4'-P energy: -14.714
bonds (distance) P-C4' energy: -16.090
flat angles C4'-P-C4' energy: -6.219
flat angles P-C4'-P energy: -6.113
tors. eta vs tors. theta energy: -5.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -89.128334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.128334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.128334 (E_RNA)
where:
Base-Base interactions energy: -36.671
where: short stacking energy: -35.936
Base-Backbone interact. energy: -0.231
local terms energy: -52.226777
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -12.979
flat angles C4'-P-C4' energy: -11.065
flat angles P-C4'-P energy: -2.921
tors. eta vs tors. theta energy: -7.934
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: 7
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -103.142688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.142688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.142688 (E_RNA)
where:
Base-Base interactions energy: -55.042
where: short stacking energy: -38.984
Base-Backbone interact. energy: -0.116
local terms energy: -47.985138
where:
bonds (distance) C4'-P energy: -9.192
bonds (distance) P-C4' energy: -9.585
flat angles C4'-P-C4' energy: -15.113
flat angles P-C4'-P energy: -7.455
tors. eta vs tors. theta energy: -6.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -75.663700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.663700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.663700 (E_RNA)
where:
Base-Base interactions energy: -30.077
where: short stacking energy: -26.907
Base-Backbone interact. energy: -0.051
local terms energy: -45.535327
where:
bonds (distance) C4'-P energy: -12.341
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -12.941
flat angles P-C4'-P energy: -9.504
tors. eta vs tors. theta energy: 2.541
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: 10, replica: 1
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -86.898637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.898637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.898637 (E_RNA)
where:
Base-Base interactions energy: -33.685
where: short stacking energy: -25.143
Base-Backbone interact. energy: 1.270
local terms energy: -54.483766
where:
bonds (distance) C4'-P energy: -9.495
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -13.248
flat angles P-C4'-P energy: -11.951
tors. eta vs tors. theta energy: -4.673
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: 2
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -219.333220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.333220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.333220 (E_RNA)
where:
Base-Base interactions energy: -137.196
where: short stacking energy: -74.284
Base-Backbone interact. energy: -0.070
local terms energy: -82.068009
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -15.981
flat angles C4'-P-C4' energy: -16.999
flat angles P-C4'-P energy: -12.718
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: 2, replica: 8
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -222.894112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.894112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.894112 (E_RNA)
where:
Base-Base interactions energy: -142.425
where: short stacking energy: -75.164
Base-Backbone interact. energy: -0.013
local terms energy: -80.456439
where:
bonds (distance) C4'-P energy: -16.276
bonds (distance) P-C4' energy: -12.992
flat angles C4'-P-C4' energy: -17.685
flat angles P-C4'-P energy: -11.441
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: 4
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -213.666214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.666214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.666214 (E_RNA)
where:
Base-Base interactions energy: -141.073
where: short stacking energy: -70.149
Base-Backbone interact. energy: -0.799
local terms energy: -71.794504
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -12.532
flat angles C4'-P-C4' energy: -15.663
flat angles P-C4'-P energy: -11.185
tors. eta vs tors. theta energy: -18.424
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: 6
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -210.509726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.509726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.509726 (E_RNA)
where:
Base-Base interactions energy: -133.305
where: short stacking energy: -65.660
Base-Backbone interact. energy: -0.599
local terms energy: -76.605749
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -18.132
flat angles P-C4'-P energy: -7.598
tors. eta vs tors. theta energy: -21.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -150.796559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.796559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.796559 (E_RNA)
where:
Base-Base interactions energy: -90.845
where: short stacking energy: -57.571
Base-Backbone interact. energy: -0.107
local terms energy: -59.843991
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -11.442
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -8.463
tors. eta vs tors. theta energy: -11.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -100.810337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.810337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.810337 (E_RNA)
where:
Base-Base interactions energy: -46.636
where: short stacking energy: -35.625
Base-Backbone interact. energy: 1.154
local terms energy: -55.328578
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -13.103
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -2.529
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: 381
Temperature: 1.200000
Total energy: -92.039068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.039068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.039068 (E_RNA)
where:
Base-Base interactions energy: -38.214
where: short stacking energy: -33.831
Base-Backbone interact. energy: 0.510
local terms energy: -54.335161
where:
bonds (distance) C4'-P energy: -7.925
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -13.840
flat angles P-C4'-P energy: -8.265
tors. eta vs tors. theta energy: -7.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -83.682862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.682862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.682862 (E_RNA)
where:
Base-Base interactions energy: -35.307
where: short stacking energy: -17.758
Base-Backbone interact. energy: -0.710
local terms energy: -47.665780
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -9.859
flat angles P-C4'-P energy: -8.783
tors. eta vs tors. theta energy: 1.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -78.820897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.820897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.820897 (E_RNA)
where:
Base-Base interactions energy: -30.687
where: short stacking energy: -28.329
Base-Backbone interact. energy: -0.489
local terms energy: -47.645227
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -2.493
tors. eta vs tors. theta energy: -2.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -79.701267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.701267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.701267 (E_RNA)
where:
Base-Base interactions energy: -35.824
where: short stacking energy: -34.525
Base-Backbone interact. energy: -0.375
local terms energy: -43.502381
where:
bonds (distance) C4'-P energy: -8.192
bonds (distance) P-C4' energy: -9.641
flat angles C4'-P-C4' energy: -7.524
flat angles P-C4'-P energy: -7.142
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: 1, replica: 8
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -216.665070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.665070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.665070 (E_RNA)
where:
Base-Base interactions energy: -139.394
where: short stacking energy: -72.749
Base-Backbone interact. energy: -0.153
local terms energy: -77.118384
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -13.157
flat angles C4'-P-C4' energy: -18.131
flat angles P-C4'-P energy: -12.652
tors. eta vs tors. theta energy: -19.075
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: 2
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -213.243495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.243495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.243495 (E_RNA)
where:
Base-Base interactions energy: -132.972
where: short stacking energy: -77.630
Base-Backbone interact. energy: -0.820
local terms energy: -79.451370
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -17.449
flat angles P-C4'-P energy: -8.038
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: 3, replica: 6
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -208.802636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.802636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.802636 (E_RNA)
where:
Base-Base interactions energy: -134.456
where: short stacking energy: -71.942
Base-Backbone interact. energy: -0.749
local terms energy: -73.597395
where:
bonds (distance) C4'-P energy: -9.710
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -17.047
flat angles P-C4'-P energy: -11.266
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: 4
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -210.857110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.857110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.857110 (E_RNA)
where:
Base-Base interactions energy: -140.306
where: short stacking energy: -68.292
Base-Backbone interact. energy: -0.044
local terms energy: -70.507395
where:
bonds (distance) C4'-P energy: -11.459
bonds (distance) P-C4' energy: -13.677
flat angles C4'-P-C4' energy: -16.337
flat angles P-C4'-P energy: -12.119
tors. eta vs tors. theta energy: -16.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -145.475875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.475875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.475875 (E_RNA)
where:
Base-Base interactions energy: -81.900
where: short stacking energy: -51.303
Base-Backbone interact. energy: -0.255
local terms energy: -63.320763
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -13.105
flat angles P-C4'-P energy: -7.273
tors. eta vs tors. theta energy: -12.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -83.290193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.290193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.290193 (E_RNA)
where:
Base-Base interactions energy: -28.927
where: short stacking energy: -28.566
Base-Backbone interact. energy: -0.603
local terms energy: -53.760412
where:
bonds (distance) C4'-P energy: -16.856
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -8.722
flat angles P-C4'-P energy: -9.028
tors. eta vs tors. theta energy: -5.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -89.399362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.399362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.399362 (E_RNA)
where:
Base-Base interactions energy: -34.199
where: short stacking energy: -26.983
Base-Backbone interact. energy: -0.102
local terms energy: -55.098383
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -7.387
tors. eta vs tors. theta energy: -6.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -86.517381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.517381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.517381 (E_RNA)
where:
Base-Base interactions energy: -42.767
where: short stacking energy: -27.970
Base-Backbone interact. energy: 0.535
local terms energy: -44.285041
where:
bonds (distance) C4'-P energy: -13.408
bonds (distance) P-C4' energy: -11.875
flat angles C4'-P-C4' energy: -12.166
flat angles P-C4'-P energy: -6.260
tors. eta vs tors. theta energy: -0.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -90.744120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.744120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.744120 (E_RNA)
where:
Base-Base interactions energy: -50.180
where: short stacking energy: -24.287
Base-Backbone interact. energy: -0.344
local terms energy: -40.219726
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -10.091
flat angles C4'-P-C4' energy: -9.500
flat angles P-C4'-P energy: -4.418
tors. eta vs tors. theta energy: -2.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -76.176807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.176807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.176807 (E_RNA)
where:
Base-Base interactions energy: -35.500
where: short stacking energy: -24.989
Base-Backbone interact. energy: -0.128
local terms energy: -40.548823
where:
bonds (distance) C4'-P energy: -8.050
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -9.245
flat angles P-C4'-P energy: -6.482
tors. eta vs tors. theta energy: -2.115
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: 8
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -208.075162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.075162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.075162 (E_RNA)
where:
Base-Base interactions energy: -139.661
where: short stacking energy: -71.939
Base-Backbone interact. energy: -0.209
local terms energy: -68.204803
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -10.985
flat angles C4'-P-C4' energy: -14.274
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -20.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -195.522056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.522056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.522056 (E_RNA)
where:
Base-Base interactions energy: -125.456
where: short stacking energy: -66.627
Base-Backbone interact. energy: -0.003
local terms energy: -70.063758
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -11.570
flat angles P-C4'-P energy: -14.051
tors. eta vs tors. theta energy: -15.358
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: 2
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -213.093022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.093022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.093022 (E_RNA)
where:
Base-Base interactions energy: -139.382
where: short stacking energy: -67.133
Base-Backbone interact. energy: -0.045
local terms energy: -73.666012
where:
bonds (distance) C4'-P energy: -9.221
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -16.634
flat angles P-C4'-P energy: -10.831
tors. eta vs tors. theta energy: -20.752
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: 4
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -206.421828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.421828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.421828 (E_RNA)
where:
Base-Base interactions energy: -130.927
where: short stacking energy: -60.277
Base-Backbone interact. energy: -0.147
local terms energy: -75.347364
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -16.167
flat angles C4'-P-C4' energy: -17.634
flat angles P-C4'-P energy: -9.438
tors. eta vs tors. theta energy: -18.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -144.244917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.244917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.244917 (E_RNA)
where:
Base-Base interactions energy: -83.346
where: short stacking energy: -43.148
Base-Backbone interact. energy: 2.982
local terms energy: -63.880834
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -7.455
tors. eta vs tors. theta energy: -8.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -99.489350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.489350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.489350 (E_RNA)
where:
Base-Base interactions energy: -41.013
where: short stacking energy: -37.484
Base-Backbone interact. energy: -0.157
local terms energy: -58.320203
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -10.166
flat angles C4'-P-C4' energy: -17.196
flat angles P-C4'-P energy: -8.881
tors. eta vs tors. theta energy: -8.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -86.881628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.881628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.881628 (E_RNA)
where:
Base-Base interactions energy: -33.108
where: short stacking energy: -28.532
Base-Backbone interact. energy: -0.340
local terms energy: -53.433448
where:
bonds (distance) C4'-P energy: -11.362
bonds (distance) P-C4' energy: -10.947
flat angles C4'-P-C4' energy: -15.578
flat angles P-C4'-P energy: -12.523
tors. eta vs tors. theta energy: -3.024
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: 1
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -91.193491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.193491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.193491 (E_RNA)
where:
Base-Base interactions energy: -42.541
where: short stacking energy: -32.093
Base-Backbone interact. energy: 0.240
local terms energy: -48.892426
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -0.738
tors. eta vs tors. theta energy: -1.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -85.415891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.415891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.415891 (E_RNA)
where:
Base-Base interactions energy: -33.156
where: short stacking energy: -33.156
Base-Backbone interact. energy: -0.043
local terms energy: -52.217220
where:
bonds (distance) C4'-P energy: -9.330
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -9.378
flat angles P-C4'-P energy: -14.216
tors. eta vs tors. theta energy: -3.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -68.333568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.333568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.333568 (E_RNA)
where:
Base-Base interactions energy: -20.715
where: short stacking energy: -20.715
Base-Backbone interact. energy: -0.340
local terms energy: -47.278476
where:
bonds (distance) C4'-P energy: -6.948
bonds (distance) P-C4' energy: -17.862
flat angles C4'-P-C4' energy: -12.071
flat angles P-C4'-P energy: -9.360
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: 6
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -219.731963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.731963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.731963 (E_RNA)
where:
Base-Base interactions energy: -142.300
where: short stacking energy: -74.059
Base-Backbone interact. energy: -0.099
local terms energy: -77.332307
where:
bonds (distance) C4'-P energy: -17.378
bonds (distance) P-C4' energy: -15.246
flat angles C4'-P-C4' energy: -16.062
flat angles P-C4'-P energy: -9.923
tors. eta vs tors. theta energy: -18.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -211.392379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.392379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.392379 (E_RNA)
where:
Base-Base interactions energy: -137.538
where: short stacking energy: -71.461
Base-Backbone interact. energy: -0.020
local terms energy: -73.834139
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -14.527
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: -6.426
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: 3, replica: 2
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -206.785373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.785373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.785373 (E_RNA)
where:
Base-Base interactions energy: -132.373
where: short stacking energy: -63.888
Base-Backbone interact. energy: -0.036
local terms energy: -74.376353
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -10.023
flat angles C4'-P-C4' energy: -16.788
flat angles P-C4'-P energy: -13.670
tors. eta vs tors. theta energy: -18.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -207.295231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.295231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.295231 (E_RNA)
where:
Base-Base interactions energy: -132.061
where: short stacking energy: -66.576
Base-Backbone interact. energy: -0.041
local terms energy: -75.192847
where:
bonds (distance) C4'-P energy: -18.242
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -9.114
flat angles P-C4'-P energy: -9.771
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: 9
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -138.782272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.782272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.782272 (E_RNA)
where:
Base-Base interactions energy: -81.634
where: short stacking energy: -38.192
Base-Backbone interact. energy: -0.117
local terms energy: -57.031285
where:
bonds (distance) C4'-P energy: -17.319
bonds (distance) P-C4' energy: -10.235
flat angles C4'-P-C4' energy: -12.939
flat angles P-C4'-P energy: -10.681
tors. eta vs tors. theta energy: -5.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -91.376300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.376300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.376300 (E_RNA)
where:
Base-Base interactions energy: -35.482
where: short stacking energy: -35.482
Base-Backbone interact. energy: -0.026
local terms energy: -55.868588
where:
bonds (distance) C4'-P energy: -13.926
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -11.995
flat angles P-C4'-P energy: -9.081
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: 7, replica: 1
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -81.367633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.367633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.367633 (E_RNA)
where:
Base-Base interactions energy: -27.423
where: short stacking energy: -27.438
Base-Backbone interact. energy: -0.171
local terms energy: -53.774162
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -3.314
tors. eta vs tors. theta energy: -6.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -94.108874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.108874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.108874 (E_RNA)
where:
Base-Base interactions energy: -40.159
where: short stacking energy: -33.679
Base-Backbone interact. energy: -0.033
local terms energy: -53.917427
where:
bonds (distance) C4'-P energy: -12.458
bonds (distance) P-C4' energy: -10.885
flat angles C4'-P-C4' energy: -14.015
flat angles P-C4'-P energy: -8.644
tors. eta vs tors. theta energy: -7.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -71.780367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.780367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.780367 (E_RNA)
where:
Base-Base interactions energy: -27.863
where: short stacking energy: -20.682
Base-Backbone interact. energy: -0.446
local terms energy: -43.471463
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -11.699
flat angles C4'-P-C4' energy: -12.861
flat angles P-C4'-P energy: -7.337
tors. eta vs tors. theta energy: 2.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -88.902798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.902798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.902798 (E_RNA)
where:
Base-Base interactions energy: -34.057
where: short stacking energy: -30.803
Base-Backbone interact. energy: -0.200
local terms energy: -54.645443
where:
bonds (distance) C4'-P energy: -8.079
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: -7.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -220.726079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.726079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.726079 (E_RNA)
where:
Base-Base interactions energy: -139.496
where: short stacking energy: -74.726
Base-Backbone interact. energy: -0.013
local terms energy: -81.217073
where:
bonds (distance) C4'-P energy: -17.166
bonds (distance) P-C4' energy: -12.869
flat angles C4'-P-C4' energy: -16.191
flat angles P-C4'-P energy: -12.994
tors. eta vs tors. theta energy: -21.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -211.487017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.487017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.487017 (E_RNA)
where:
Base-Base interactions energy: -135.342
where: short stacking energy: -64.762
Base-Backbone interact. energy: -0.591
local terms energy: -75.553829
where:
bonds (distance) C4'-P energy: -15.327
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -17.018
flat angles P-C4'-P energy: -11.584
tors. eta vs tors. theta energy: -20.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -194.076838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.076838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.076838 (E_RNA)
where:
Base-Base interactions energy: -117.388
where: short stacking energy: -61.723
Base-Backbone interact. energy: -0.100
local terms energy: -76.588418
where:
bonds (distance) C4'-P energy: -14.046
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -16.288
flat angles P-C4'-P energy: -13.157
tors. eta vs tors. theta energy: -15.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -187.739364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.739364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.739364 (E_RNA)
where:
Base-Base interactions energy: -114.271
where: short stacking energy: -59.702
Base-Backbone interact. energy: 0.373
local terms energy: -73.841859
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -11.826
flat angles P-C4'-P energy: -13.684
tors. eta vs tors. theta energy: -13.922
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: 5, replica: 9
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -160.555842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.555842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.555842 (E_RNA)
where:
Base-Base interactions energy: -94.390
where: short stacking energy: -53.559
Base-Backbone interact. energy: -0.078
local terms energy: -66.087350
where:
bonds (distance) C4'-P energy: -14.365
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: -12.725
flat angles P-C4'-P energy: -7.296
tors. eta vs tors. theta energy: -12.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -94.110841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.110841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.110841 (E_RNA)
where:
Base-Base interactions energy: -39.471
where: short stacking energy: -34.559
Base-Backbone interact. energy: -0.243
local terms energy: -54.396744
where:
bonds (distance) C4'-P energy: -13.398
bonds (distance) P-C4' energy: -14.434
flat angles C4'-P-C4' energy: -12.017
flat angles P-C4'-P energy: -8.640
tors. eta vs tors. theta energy: -5.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -86.640320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.640320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.640320 (E_RNA)
where:
Base-Base interactions energy: -31.772
where: short stacking energy: -17.113
Base-Backbone interact. energy: -0.320
local terms energy: -54.548742
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -15.317
flat angles C4'-P-C4' energy: -12.882
flat angles P-C4'-P energy: -9.537
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: 8, replica: 7
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -101.223847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.223847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.223847 (E_RNA)
where:
Base-Base interactions energy: -41.900
where: short stacking energy: -37.745
Base-Backbone interact. energy: -0.274
local terms energy: -59.049421
where:
bonds (distance) C4'-P energy: -12.331
bonds (distance) P-C4' energy: -12.793
flat angles C4'-P-C4' energy: -13.063
flat angles P-C4'-P energy: -11.486
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: 9, replica: 3
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -76.406904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.406904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.406904 (E_RNA)
where:
Base-Base interactions energy: -25.192
where: short stacking energy: -25.192
Base-Backbone interact. energy: -0.155
local terms energy: -51.060045
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -11.691
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -2.647
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: 10
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -79.732359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.732359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.732359 (E_RNA)
where:
Base-Base interactions energy: -41.893
where: short stacking energy: -26.539
Base-Backbone interact. energy: 0.520
local terms energy: -38.358693
where:
bonds (distance) C4'-P energy: -10.030
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -6.027
flat angles P-C4'-P energy: -6.534
tors. eta vs tors. theta energy: -2.556
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: 386
Temperature: 0.900000
Total energy: -220.213892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.213892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.213892 (E_RNA)
where:
Base-Base interactions energy: -140.447
where: short stacking energy: -73.365
Base-Backbone interact. energy: -0.013
local terms energy: -79.754158
where:
bonds (distance) C4'-P energy: -14.585
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -16.357
flat angles P-C4'-P energy: -13.231
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: 2, replica: 6
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -217.364404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.364404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.364404 (E_RNA)
where:
Base-Base interactions energy: -136.731
where: short stacking energy: -68.999
Base-Backbone interact. energy: -0.385
local terms energy: -80.248507
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -17.067
flat angles C4'-P-C4' energy: -13.464
flat angles P-C4'-P energy: -11.094
tors. eta vs tors. theta energy: -21.668
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: 386
Temperature: 1.000000
Total energy: -201.812110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.812110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.812110 (E_RNA)
where:
Base-Base interactions energy: -130.780
where: short stacking energy: -64.606
Base-Backbone interact. energy: -0.000
local terms energy: -71.031918
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -12.177
flat angles C4'-P-C4' energy: -11.675
flat angles P-C4'-P energy: -12.044
tors. eta vs tors. theta energy: -21.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -198.068198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.068198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.068198 (E_RNA)
where:
Base-Base interactions energy: -126.894
where: short stacking energy: -67.104
Base-Backbone interact. energy: -0.007
local terms energy: -71.167514
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -14.147
flat angles P-C4'-P energy: -10.707
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: 5, replica: 9
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -168.217191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.217191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.217191 (E_RNA)
where:
Base-Base interactions energy: -98.419
where: short stacking energy: -61.350
Base-Backbone interact. energy: -0.003
local terms energy: -69.794233
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -13.465
flat angles C4'-P-C4' energy: -16.164
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: -16.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -90.108225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.108225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.108225 (E_RNA)
where:
Base-Base interactions energy: -40.018
where: short stacking energy: -39.146
Base-Backbone interact. energy: -0.031
local terms energy: -50.058938
where:
bonds (distance) C4'-P energy: -9.616
bonds (distance) P-C4' energy: -11.787
flat angles C4'-P-C4' energy: -16.676
flat angles P-C4'-P energy: -3.272
tors. eta vs tors. theta energy: -8.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -100.167324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.167324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.167324 (E_RNA)
where:
Base-Base interactions energy: -38.746
where: short stacking energy: -34.015
Base-Backbone interact. energy: -0.304
local terms energy: -61.117884
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -15.161
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -9.836
tors. eta vs tors. theta energy: -7.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -99.341422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.341422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.341422 (E_RNA)
where:
Base-Base interactions energy: -46.022
where: short stacking energy: -46.022
Base-Backbone interact. energy: -0.019
local terms energy: -53.300735
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -12.633
flat angles C4'-P-C4' energy: -11.602
flat angles P-C4'-P energy: -8.029
tors. eta vs tors. theta energy: -6.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -117.178418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.178418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.178418 (E_RNA)
where:
Base-Base interactions energy: -64.949
where: short stacking energy: -30.147
Base-Backbone interact. energy: -0.037
local terms energy: -52.191995
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -11.531
flat angles P-C4'-P energy: -5.331
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: 10, replica: 3
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -77.688210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.688210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.688210 (E_RNA)
where:
Base-Base interactions energy: -25.033
where: short stacking energy: -23.576
Base-Backbone interact. energy: -0.198
local terms energy: -52.457263
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -13.266
flat angles P-C4'-P energy: -7.942
tors. eta vs tors. theta energy: -3.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -220.103193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.103193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.103193 (E_RNA)
where:
Base-Base interactions energy: -136.982
where: short stacking energy: -72.931
Base-Backbone interact. energy: -0.050
local terms energy: -83.070890
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -14.944
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -12.765
tors. eta vs tors. theta energy: -23.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -197.258421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.258421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.258421 (E_RNA)
where:
Base-Base interactions energy: -126.691
where: short stacking energy: -62.107
Base-Backbone interact. energy: -0.683
local terms energy: -69.884230
where:
bonds (distance) C4'-P energy: -16.186
bonds (distance) P-C4' energy: -13.200
flat angles C4'-P-C4' energy: -14.055
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -16.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -218.148829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.148829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.148829 (E_RNA)
where:
Base-Base interactions energy: -144.684
where: short stacking energy: -67.905
Base-Backbone interact. energy: -0.009
local terms energy: -73.455744
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -12.016
flat angles P-C4'-P energy: -13.225
tors. eta vs tors. theta energy: -20.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -193.648088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.648088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.648088 (E_RNA)
where:
Base-Base interactions energy: -125.431
where: short stacking energy: -60.630
Base-Backbone interact. energy: -0.050
local terms energy: -68.167000
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -14.542
flat angles C4'-P-C4' energy: -16.977
flat angles P-C4'-P energy: -6.378
tors. eta vs tors. theta energy: -16.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -165.069814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.069814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.069814 (E_RNA)
where:
Base-Base interactions energy: -103.167
where: short stacking energy: -56.601
Base-Backbone interact. energy: -0.084
local terms energy: -61.818417
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -16.902
flat angles P-C4'-P energy: -4.132
tors. eta vs tors. theta energy: -13.330
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: 387
Temperature: 1.150000
Total energy: -96.018324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.018324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.018324 (E_RNA)
where:
Base-Base interactions energy: -41.571
where: short stacking energy: -39.726
Base-Backbone interact. energy: -0.136
local terms energy: -54.311568
where:
bonds (distance) C4'-P energy: -9.171
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -11.248
flat angles P-C4'-P energy: -4.007
tors. eta vs tors. theta energy: -13.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -99.679066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.679066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.679066 (E_RNA)
where:
Base-Base interactions energy: -44.881
where: short stacking energy: -28.353
Base-Backbone interact. energy: -0.249
local terms energy: -54.549672
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -11.124
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: -2.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -127.226756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.226756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.226756 (E_RNA)
where:
Base-Base interactions energy: -79.133
where: short stacking energy: -42.642
Base-Backbone interact. energy: -0.061
local terms energy: -48.032619
where:
bonds (distance) C4'-P energy: -10.319
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -8.291
flat angles P-C4'-P energy: -5.063
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: 9, replica: 5
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -92.425092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.425092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.425092 (E_RNA)
where:
Base-Base interactions energy: -39.298
where: short stacking energy: -38.472
Base-Backbone interact. energy: -0.353
local terms energy: -52.773927
where:
bonds (distance) C4'-P energy: -7.144
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -10.752
tors. eta vs tors. theta energy: -4.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -76.451187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.451187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.451187 (E_RNA)
where:
Base-Base interactions energy: -23.912
where: short stacking energy: -19.159
Base-Backbone interact. energy: -2.669
local terms energy: -49.870658
where:
bonds (distance) C4'-P energy: -14.787
bonds (distance) P-C4' energy: -12.625
flat angles C4'-P-C4' energy: -15.802
flat angles P-C4'-P energy: -9.045
tors. eta vs tors. theta energy: 2.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -220.534185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.534185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.534185 (E_RNA)
where:
Base-Base interactions energy: -145.054
where: short stacking energy: -73.070
Base-Backbone interact. energy: -0.683
local terms energy: -74.796982
where:
bonds (distance) C4'-P energy: -10.906
bonds (distance) P-C4' energy: -16.172
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -15.887
tors. eta vs tors. theta energy: -16.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -205.198508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.198508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.198508 (E_RNA)
where:
Base-Base interactions energy: -130.689
where: short stacking energy: -72.345
Base-Backbone interact. energy: -0.101
local terms energy: -74.408908
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -18.712
flat angles C4'-P-C4' energy: -16.255
flat angles P-C4'-P energy: -8.291
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: 3, replica: 6
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -212.714872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.714872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.714872 (E_RNA)
where:
Base-Base interactions energy: -137.085
where: short stacking energy: -70.396
Base-Backbone interact. energy: 0.159
local terms energy: -75.788945
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -12.720
flat angles P-C4'-P energy: -11.771
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: 4, replica: 4
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -209.599064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.599064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.599064 (E_RNA)
where:
Base-Base interactions energy: -131.622
where: short stacking energy: -65.424
Base-Backbone interact. energy: -1.026
local terms energy: -76.951128
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -14.278
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -13.181
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: 5, replica: 9
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -134.471049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.471049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.471049 (E_RNA)
where:
Base-Base interactions energy: -72.141
where: short stacking energy: -39.996
Base-Backbone interact. energy: -0.074
local terms energy: -62.256634
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -17.476
flat angles C4'-P-C4' energy: -14.654
flat angles P-C4'-P energy: -8.029
tors. eta vs tors. theta energy: -7.920
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: 7
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -90.999999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.999999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.999999 (E_RNA)
where:
Base-Base interactions energy: -43.661
where: short stacking energy: -40.120
Base-Backbone interact. energy: -0.249
local terms energy: -47.089367
where:
bonds (distance) C4'-P energy: -6.425
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -12.423
flat angles P-C4'-P energy: -4.090
tors. eta vs tors. theta energy: -10.451
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: 10
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -130.693119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.693119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.693119 (E_RNA)
where:
Base-Base interactions energy: -66.481
where: short stacking energy: -37.059
Base-Backbone interact. energy: -0.235
local terms energy: -63.977006
where:
bonds (distance) C4'-P energy: -9.827
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -17.907
flat angles P-C4'-P energy: -6.896
tors. eta vs tors. theta energy: -12.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -86.254773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.254773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.254773 (E_RNA)
where:
Base-Base interactions energy: -38.744
where: short stacking energy: -36.286
Base-Backbone interact. energy: -0.708
local terms energy: -46.803194
where:
bonds (distance) C4'-P energy: -10.499
bonds (distance) P-C4' energy: -9.058
flat angles C4'-P-C4' energy: -12.371
flat angles P-C4'-P energy: -7.680
tors. eta vs tors. theta energy: -7.195
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: 9, replica: 3
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -81.273440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.273440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.273440 (E_RNA)
where:
Base-Base interactions energy: -27.703
where: short stacking energy: -27.703
Base-Backbone interact. energy: -0.156
local terms energy: -53.414182
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -10.876
tors. eta vs tors. theta energy: 0.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -71.539730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.539730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.539730 (E_RNA)
where:
Base-Base interactions energy: -19.445
where: short stacking energy: -19.445
Base-Backbone interact. energy: -0.564
local terms energy: -51.530460
where:
bonds (distance) C4'-P energy: -9.328
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -7.985
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: 1, replica: 8
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -221.775378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.775378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.775378 (E_RNA)
where:
Base-Base interactions energy: -141.273
where: short stacking energy: -72.091
Base-Backbone interact. energy: -0.066
local terms energy: -80.435874
where:
bonds (distance) C4'-P energy: -12.555
bonds (distance) P-C4' energy: -18.352
flat angles C4'-P-C4' energy: -16.786
flat angles P-C4'-P energy: -12.102
tors. eta vs tors. theta energy: -20.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -213.156355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.156355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.156355 (E_RNA)
where:
Base-Base interactions energy: -131.627
where: short stacking energy: -70.855
Base-Backbone interact. energy: -0.085
local terms energy: -81.443887
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -16.902
flat angles C4'-P-C4' energy: -17.715
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -20.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -204.534268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.534268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.534268 (E_RNA)
where:
Base-Base interactions energy: -131.515
where: short stacking energy: -58.478
Base-Backbone interact. energy: -0.064
local terms energy: -72.955163
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -8.377
flat angles P-C4'-P energy: -11.948
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: 4
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -207.974979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.974979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.974979 (E_RNA)
where:
Base-Base interactions energy: -134.901
where: short stacking energy: -71.303
Base-Backbone interact. energy: -0.077
local terms energy: -72.997336
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -12.335
flat angles P-C4'-P energy: -11.816
tors. eta vs tors. theta energy: -19.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -168.147738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.147738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.147738 (E_RNA)
where:
Base-Base interactions energy: -99.821
where: short stacking energy: -53.772
Base-Backbone interact. energy: 0.118
local terms energy: -68.444736
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -9.899
tors. eta vs tors. theta energy: -14.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -135.300020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.300020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.300020 (E_RNA)
where:
Base-Base interactions energy: -74.127
where: short stacking energy: -45.695
Base-Backbone interact. energy: -0.242
local terms energy: -60.931862
where:
bonds (distance) C4'-P energy: -8.137
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -8.280
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: 7, replica: 7
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -101.435847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.435847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.435847 (E_RNA)
where:
Base-Base interactions energy: -41.219
where: short stacking energy: -38.567
Base-Backbone interact. energy: -0.455
local terms energy: -59.761596
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -13.989
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -8.588
tors. eta vs tors. theta energy: -9.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -98.109425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.109425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.109425 (E_RNA)
where:
Base-Base interactions energy: -42.695
where: short stacking energy: -29.152
Base-Backbone interact. energy: -0.372
local terms energy: -55.042260
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -15.291
flat angles C4'-P-C4' energy: -11.832
flat angles P-C4'-P energy: -10.029
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: 9, replica: 1
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -95.149176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.149176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.149176 (E_RNA)
where:
Base-Base interactions energy: -34.149
where: short stacking energy: -23.690
Base-Backbone interact. energy: -0.114
local terms energy: -60.886063
where:
bonds (distance) C4'-P energy: -14.631
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -16.942
flat angles P-C4'-P energy: -10.656
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: 10, replica: 5
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -75.765307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.765307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.765307 (E_RNA)
where:
Base-Base interactions energy: -37.832
where: short stacking energy: -27.009
Base-Backbone interact. energy: 0.430
local terms energy: -38.363320
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -9.601
flat angles C4'-P-C4' energy: -10.271
flat angles P-C4'-P energy: -7.259
tors. eta vs tors. theta energy: 0.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -218.770141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.770141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.770141 (E_RNA)
where:
Base-Base interactions energy: -135.414
where: short stacking energy: -70.861
Base-Backbone interact. energy: -0.484
local terms energy: -82.872564
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -15.433
flat angles C4'-P-C4' energy: -17.665
flat angles P-C4'-P energy: -12.097
tors. eta vs tors. theta energy: -22.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -224.179138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.179138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.179138 (E_RNA)
where:
Base-Base interactions energy: -143.848
where: short stacking energy: -78.462
Base-Backbone interact. energy: -0.003
local terms energy: -80.328103
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -14.445
flat angles P-C4'-P energy: -13.301
tors. eta vs tors. theta energy: -21.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -220.172377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.172377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.172377 (E_RNA)
where:
Base-Base interactions energy: -145.703
where: short stacking energy: -72.721
Base-Backbone interact. energy: 1.865
local terms energy: -76.334378
where:
bonds (distance) C4'-P energy: -12.823
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -17.276
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -19.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -209.915208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.915208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.915208 (E_RNA)
where:
Base-Base interactions energy: -129.861
where: short stacking energy: -71.173
Base-Backbone interact. energy: -0.021
local terms energy: -80.033634
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -11.711
flat angles P-C4'-P energy: -12.592
tors. eta vs tors. theta energy: -20.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -150.215106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.215106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.215106 (E_RNA)
where:
Base-Base interactions energy: -82.772
where: short stacking energy: -52.692
Base-Backbone interact. energy: -0.015
local terms energy: -67.428281
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -16.499
flat angles C4'-P-C4' energy: -13.228
flat angles P-C4'-P energy: -7.314
tors. eta vs tors. theta energy: -14.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -125.752415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.752415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.752415 (E_RNA)
where:
Base-Base interactions energy: -71.115
where: short stacking energy: -40.759
Base-Backbone interact. energy: -0.120
local terms energy: -54.518089
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -11.133
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -11.099
tors. eta vs tors. theta energy: -5.154
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: 7
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -95.409907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.409907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.409907 (E_RNA)
where:
Base-Base interactions energy: -37.844
where: short stacking energy: -34.191
Base-Backbone interact. energy: -0.131
local terms energy: -57.434819
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -13.156
flat angles P-C4'-P energy: -5.193
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: 8, replica: 3
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -86.813882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.813882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.813882 (E_RNA)
where:
Base-Base interactions energy: -29.921
where: short stacking energy: -29.921
Base-Backbone interact. energy: -0.011
local terms energy: -56.881946
where:
bonds (distance) C4'-P energy: -11.371
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -10.887
tors. eta vs tors. theta energy: -3.402
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: 9, replica: 5
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -93.811775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.811775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.811775 (E_RNA)
where:
Base-Base interactions energy: -44.440
where: short stacking energy: -43.371
Base-Backbone interact. energy: -0.069
local terms energy: -49.302317
where:
bonds (distance) C4'-P energy: -10.805
bonds (distance) P-C4' energy: -12.675
flat angles C4'-P-C4' energy: -13.083
flat angles P-C4'-P energy: -3.083
tors. eta vs tors. theta energy: -9.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -76.491830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.491830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.491830 (E_RNA)
where:
Base-Base interactions energy: -26.092
where: short stacking energy: -25.801
Base-Backbone interact. energy: -0.073
local terms energy: -50.327516
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -8.086
flat angles C4'-P-C4' energy: -10.588
flat angles P-C4'-P energy: -13.086
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: 1, replica: 8
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -220.306013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.306013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.306013 (E_RNA)
where:
Base-Base interactions energy: -133.447
where: short stacking energy: -67.811
Base-Backbone interact. energy: -0.437
local terms energy: -86.421669
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -17.723
flat angles P-C4'-P energy: -12.592
tors. eta vs tors. theta energy: -22.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -213.494657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.494657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.494657 (E_RNA)
where:
Base-Base interactions energy: -139.575
where: short stacking energy: -76.413
Base-Backbone interact. energy: -0.026
local terms energy: -73.892935
where:
bonds (distance) C4'-P energy: -7.687
bonds (distance) P-C4' energy: -13.247
flat angles C4'-P-C4' energy: -17.015
flat angles P-C4'-P energy: -12.457
tors. eta vs tors. theta energy: -23.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -207.562240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.562240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.562240 (E_RNA)
where:
Base-Base interactions energy: -130.150
where: short stacking energy: -69.040
Base-Backbone interact. energy: -0.109
local terms energy: -77.304201
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -17.885
flat angles P-C4'-P energy: -10.008
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: 4, replica: 2
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -207.073199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.073199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.073199 (E_RNA)
where:
Base-Base interactions energy: -143.202
where: short stacking energy: -69.269
Base-Backbone interact. energy: -0.080
local terms energy: -63.791524
where:
bonds (distance) C4'-P energy: -11.102
bonds (distance) P-C4' energy: -10.542
flat angles C4'-P-C4' energy: -12.335
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -18.869
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: 9
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -160.338660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.338660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.338660 (E_RNA)
where:
Base-Base interactions energy: -92.423
where: short stacking energy: -48.145
Base-Backbone interact. energy: -0.880
local terms energy: -67.035688
where:
bonds (distance) C4'-P energy: -12.094
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -14.819
flat angles P-C4'-P energy: -9.698
tors. eta vs tors. theta energy: -14.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -106.101107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.101107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.101107 (E_RNA)
where:
Base-Base interactions energy: -54.566
where: short stacking energy: -32.219
Base-Backbone interact. energy: 3.428
local terms energy: -54.963479
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -13.259
flat angles P-C4'-P energy: -8.108
tors. eta vs tors. theta energy: -2.541
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: 10
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -147.345797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.345797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.345797 (E_RNA)
where:
Base-Base interactions energy: -95.042
where: short stacking energy: -36.951
Base-Backbone interact. energy: -0.743
local terms energy: -51.560761
where:
bonds (distance) C4'-P energy: -9.231
bonds (distance) P-C4' energy: -13.228
flat angles C4'-P-C4' energy: -13.830
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: -5.518
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: 5
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -88.759402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.759402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.759402 (E_RNA)
where:
Base-Base interactions energy: -41.490
where: short stacking energy: -41.428
Base-Backbone interact. energy: -0.016
local terms energy: -47.253754
where:
bonds (distance) C4'-P energy: -9.144
bonds (distance) P-C4' energy: -12.534
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -0.679
tors. eta vs tors. theta energy: -10.069
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: 3
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -101.059362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.059362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.059362 (E_RNA)
where:
Base-Base interactions energy: -42.908
where: short stacking energy: -42.908
Base-Backbone interact. energy: -0.091
local terms energy: -58.060273
where:
bonds (distance) C4'-P energy: -11.289
bonds (distance) P-C4' energy: -12.282
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -11.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -69.123580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.123580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.123580 (E_RNA)
where:
Base-Base interactions energy: -26.865
where: short stacking energy: -26.865
Base-Backbone interact. energy: 0.929
local terms energy: -43.187081
where:
bonds (distance) C4'-P energy: -11.889
bonds (distance) P-C4' energy: -11.390
flat angles C4'-P-C4' energy: -11.175
flat angles P-C4'-P energy: -11.453
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: 8
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -217.737319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.737319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.737319 (E_RNA)
where:
Base-Base interactions energy: -138.518
where: short stacking energy: -70.849
Base-Backbone interact. energy: -0.054
local terms energy: -79.164747
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -13.804
flat angles C4'-P-C4' energy: -19.056
flat angles P-C4'-P energy: -11.931
tors. eta vs tors. theta energy: -21.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -200.490846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.490846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.490846 (E_RNA)
where:
Base-Base interactions energy: -124.521
where: short stacking energy: -60.556
Base-Backbone interact. energy: -0.110
local terms energy: -75.860139
where:
bonds (distance) C4'-P energy: -13.360
bonds (distance) P-C4' energy: -15.775
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -14.799
tors. eta vs tors. theta energy: -15.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -216.281315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.281315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.281315 (E_RNA)
where:
Base-Base interactions energy: -138.122
where: short stacking energy: -75.851
Base-Backbone interact. energy: -0.549
local terms energy: -77.611039
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -12.318
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -12.706
tors. eta vs tors. theta energy: -23.137
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: 6
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -201.632014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.632014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.632014 (E_RNA)
where:
Base-Base interactions energy: -127.733
where: short stacking energy: -55.876
Base-Backbone interact. energy: -0.124
local terms energy: -73.775172
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -11.643
tors. eta vs tors. theta energy: -15.505
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: 7
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -95.682748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.682748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.682748 (E_RNA)
where:
Base-Base interactions energy: -40.883
where: short stacking energy: -26.882
Base-Backbone interact. energy: -0.848
local terms energy: -53.951699
where:
bonds (distance) C4'-P energy: -10.580
bonds (distance) P-C4' energy: -17.420
flat angles C4'-P-C4' energy: -8.074
flat angles P-C4'-P energy: -12.122
tors. eta vs tors. theta energy: -5.754
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: 6, replica: 9
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -124.555245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.555245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.555245 (E_RNA)
where:
Base-Base interactions energy: -74.421
where: short stacking energy: -29.919
Base-Backbone interact. energy: -0.471
local terms energy: -49.663182
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -13.968
flat angles C4'-P-C4' energy: -12.287
flat angles P-C4'-P energy: -4.404
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: 7, replica: 10
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -123.736058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.736058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.736058 (E_RNA)
where:
Base-Base interactions energy: -64.475
where: short stacking energy: -30.896
Base-Backbone interact. energy: -0.206
local terms energy: -59.054670
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -16.321
flat angles C4'-P-C4' energy: -14.084
flat angles P-C4'-P energy: -6.539
tors. eta vs tors. theta energy: -7.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -95.173693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.173693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.173693 (E_RNA)
where:
Base-Base interactions energy: -36.671
where: short stacking energy: -36.671
Base-Backbone interact. energy: 5.253
local terms energy: -63.755773
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -13.193
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: -9.089
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: 392
Temperature: 1.300000
Total energy: -79.154605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.154605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.154605 (E_RNA)
where:
Base-Base interactions energy: -31.458
where: short stacking energy: -31.458
Base-Backbone interact. energy: -0.146
local terms energy: -47.551134
where:
bonds (distance) C4'-P energy: -8.999
bonds (distance) P-C4' energy: -11.613
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: -4.837
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: 3
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -86.115702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.115702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.115702 (E_RNA)
where:
Base-Base interactions energy: -34.378
where: short stacking energy: -17.555
Base-Backbone interact. energy: -0.110
local terms energy: -51.627555
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -9.514
flat angles P-C4'-P energy: -6.316
tors. eta vs tors. theta energy: -4.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -218.958314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.958314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.958314 (E_RNA)
where:
Base-Base interactions energy: -136.249
where: short stacking energy: -68.283
Base-Backbone interact. energy: -0.662
local terms energy: -82.047368
where:
bonds (distance) C4'-P energy: -17.191
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -15.226
flat angles P-C4'-P energy: -12.967
tors. eta vs tors. theta energy: -18.702
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: 2
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -216.496447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.496447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.496447 (E_RNA)
where:
Base-Base interactions energy: -140.396
where: short stacking energy: -66.779
Base-Backbone interact. energy: -0.188
local terms energy: -75.912948
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -15.949
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -21.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -198.182282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.182282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.182282 (E_RNA)
where:
Base-Base interactions energy: -126.152
where: short stacking energy: -60.336
Base-Backbone interact. energy: -0.102
local terms energy: -71.928088
where:
bonds (distance) C4'-P energy: -10.840
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -18.084
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -15.767
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: 6
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -186.296862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.296862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.296862 (E_RNA)
where:
Base-Base interactions energy: -116.195
where: short stacking energy: -51.420
Base-Backbone interact. energy: -0.493
local terms energy: -69.609002
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -11.710
flat angles C4'-P-C4' energy: -16.974
flat angles P-C4'-P energy: -10.921
tors. eta vs tors. theta energy: -14.312
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: 7
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -118.757688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.757688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.757688 (E_RNA)
where:
Base-Base interactions energy: -65.855
where: short stacking energy: -30.696
Base-Backbone interact. energy: -0.386
local terms energy: -52.515973
where:
bonds (distance) C4'-P energy: -14.635
bonds (distance) P-C4' energy: -14.482
flat angles C4'-P-C4' energy: -10.288
flat angles P-C4'-P energy: -7.763
tors. eta vs tors. theta energy: -5.347
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: 393
Temperature: 1.150000
Total energy: -149.592985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.592985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.592985 (E_RNA)
where:
Base-Base interactions energy: -95.306
where: short stacking energy: -46.559
Base-Backbone interact. energy: -0.268
local terms energy: -54.019394
where:
bonds (distance) C4'-P energy: -11.549
bonds (distance) P-C4' energy: -13.272
flat angles C4'-P-C4' energy: -11.755
flat angles P-C4'-P energy: -0.820
tors. eta vs tors. theta energy: -16.624
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: 10
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -110.882964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.882964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.882964 (E_RNA)
where:
Base-Base interactions energy: -62.404
where: short stacking energy: -30.411
Base-Backbone interact. energy: -0.128
local terms energy: -48.351141
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -11.238
flat angles P-C4'-P energy: -10.235
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: 8, replica: 1
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -82.338469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.338469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.338469 (E_RNA)
where:
Base-Base interactions energy: -28.776
where: short stacking energy: -28.103
Base-Backbone interact. energy: -0.145
local terms energy: -53.417708
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -12.535
flat angles C4'-P-C4' energy: -12.146
flat angles P-C4'-P energy: -10.278
tors. eta vs tors. theta energy: -3.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -87.290728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.290728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.290728 (E_RNA)
where:
Base-Base interactions energy: -32.030
where: short stacking energy: -31.163
Base-Backbone interact. energy: -0.310
local terms energy: -54.951027
where:
bonds (distance) C4'-P energy: -12.292
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -12.512
flat angles P-C4'-P energy: -11.440
tors. eta vs tors. theta energy: -4.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -79.134016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.134016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.134016 (E_RNA)
where:
Base-Base interactions energy: -24.153
where: short stacking energy: -24.153
Base-Backbone interact. energy: -0.080
local terms energy: -54.900562
where:
bonds (distance) C4'-P energy: -10.643
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -11.533
flat angles P-C4'-P energy: -10.840
tors. eta vs tors. theta energy: -6.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -219.245204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.245204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.245204 (E_RNA)
where:
Base-Base interactions energy: -140.267
where: short stacking energy: -73.109
Base-Backbone interact. energy: 0.072
local terms energy: -79.050489
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -17.162
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -21.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -219.025549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.025549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.025549 (E_RNA)
where:
Base-Base interactions energy: -133.924
where: short stacking energy: -71.728
Base-Backbone interact. energy: -0.002
local terms energy: -85.099615
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -17.779
flat angles P-C4'-P energy: -13.436
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: 3, replica: 4
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -207.377953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.377953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.377953 (E_RNA)
where:
Base-Base interactions energy: -136.911
where: short stacking energy: -62.538
Base-Backbone interact. energy: -0.678
local terms energy: -69.789828
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -12.454
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -11.673
tors. eta vs tors. theta energy: -16.688
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: 4, replica: 6
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -202.802217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.802217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.802217 (E_RNA)
where:
Base-Base interactions energy: -130.187
where: short stacking energy: -64.726
Base-Backbone interact. energy: -0.053
local terms energy: -72.562776
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -14.970
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -20.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -156.983827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.983827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.983827 (E_RNA)
where:
Base-Base interactions energy: -89.429
where: short stacking energy: -45.130
Base-Backbone interact. energy: -0.852
local terms energy: -66.703248
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -8.218
tors. eta vs tors. theta energy: -12.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -106.640245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.640245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.640245 (E_RNA)
where:
Base-Base interactions energy: -46.601
where: short stacking energy: -46.088
Base-Backbone interact. energy: -0.073
local terms energy: -59.965938
where:
bonds (distance) C4'-P energy: -10.558
bonds (distance) P-C4' energy: -12.089
flat angles C4'-P-C4' energy: -13.871
flat angles P-C4'-P energy: -12.470
tors. eta vs tors. theta energy: -10.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -127.773709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.773709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.773709 (E_RNA)
where:
Base-Base interactions energy: -66.329
where: short stacking energy: -35.932
Base-Backbone interact. energy: -0.031
local terms energy: -61.413244
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -16.204
flat angles C4'-P-C4' energy: -12.789
flat angles P-C4'-P energy: -8.277
tors. eta vs tors. theta energy: -8.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -85.154049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.154049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.154049 (E_RNA)
where:
Base-Base interactions energy: -30.305
where: short stacking energy: -30.305
Base-Backbone interact. energy: -0.507
local terms energy: -54.342081
where:
bonds (distance) C4'-P energy: -17.364
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -13.173
flat angles P-C4'-P energy: -9.984
tors. eta vs tors. theta energy: 2.389
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: 3
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -75.466283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.466283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.466283 (E_RNA)
where:
Base-Base interactions energy: -20.899
where: short stacking energy: -17.463
Base-Backbone interact. energy: -0.195
local terms energy: -54.372764
where:
bonds (distance) C4'-P energy: -17.865
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -15.574
flat angles P-C4'-P energy: -6.389
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: 10, replica: 5
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -76.224893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.224893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.224893 (E_RNA)
where:
Base-Base interactions energy: -30.441
where: short stacking energy: -27.664
Base-Backbone interact. energy: -0.380
local terms energy: -45.403799
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -6.893
flat angles P-C4'-P energy: -7.005
tors. eta vs tors. theta energy: -1.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -216.665208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.665208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.665208 (E_RNA)
where:
Base-Base interactions energy: -140.652
where: short stacking energy: -68.868
Base-Backbone interact. energy: -0.354
local terms energy: -75.659214
where:
bonds (distance) C4'-P energy: -12.758
bonds (distance) P-C4' energy: -13.182
flat angles C4'-P-C4' energy: -14.826
flat angles P-C4'-P energy: -13.478
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: 2, replica: 4
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -210.016828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.016828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.016828 (E_RNA)
where:
Base-Base interactions energy: -133.350
where: short stacking energy: -72.145
Base-Backbone interact. energy: -0.079
local terms energy: -76.587886
where:
bonds (distance) C4'-P energy: -15.095
bonds (distance) P-C4' energy: -11.497
flat angles C4'-P-C4' energy: -16.312
flat angles P-C4'-P energy: -10.733
tors. eta vs tors. theta energy: -22.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -212.049798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.049798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.049798 (E_RNA)
where:
Base-Base interactions energy: -135.401
where: short stacking energy: -65.519
Base-Backbone interact. energy: -0.030
local terms energy: -76.618427
where:
bonds (distance) C4'-P energy: -11.089
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -15.714
flat angles P-C4'-P energy: -12.012
tors. eta vs tors. theta energy: -22.137
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: 6
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -206.505042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.505042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.505042 (E_RNA)
where:
Base-Base interactions energy: -132.889
where: short stacking energy: -66.970
Base-Backbone interact. energy: -1.810
local terms energy: -71.805731
where:
bonds (distance) C4'-P energy: -16.666
bonds (distance) P-C4' energy: -15.717
flat angles C4'-P-C4' energy: -12.244
flat angles P-C4'-P energy: -8.804
tors. eta vs tors. theta energy: -18.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -186.854070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.854070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.854070 (E_RNA)
where:
Base-Base interactions energy: -118.052
where: short stacking energy: -60.794
Base-Backbone interact. energy: -0.103
local terms energy: -68.698954
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -8.306
tors. eta vs tors. theta energy: -18.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -160.542553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.542553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.542553 (E_RNA)
where:
Base-Base interactions energy: -91.672
where: short stacking energy: -51.791
Base-Backbone interact. energy: -0.236
local terms energy: -68.634563
where:
bonds (distance) C4'-P energy: -10.152
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -12.185
tors. eta vs tors. theta energy: -15.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -98.128943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.128943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.128943 (E_RNA)
where:
Base-Base interactions energy: -48.626
where: short stacking energy: -20.928
Base-Backbone interact. energy: -0.130
local terms energy: -49.373014
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -12.108
flat angles P-C4'-P energy: -6.694
tors. eta vs tors. theta energy: -0.089
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: 8, replica: 3
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -89.468897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.468897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.468897 (E_RNA)
where:
Base-Base interactions energy: -32.375
where: short stacking energy: -29.246
Base-Backbone interact. energy: -0.265
local terms energy: -56.828854
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -8.447
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: 9, replica: 1
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -77.888791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.888791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.888791 (E_RNA)
where:
Base-Base interactions energy: -29.685
where: short stacking energy: -25.280
Base-Backbone interact. energy: -0.205
local terms energy: -47.998196
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -13.591
flat angles C4'-P-C4' energy: -11.285
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: 0.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -67.223654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.223654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.223654 (E_RNA)
where:
Base-Base interactions energy: -25.184
where: short stacking energy: -25.184
Base-Backbone interact. energy: -0.149
local terms energy: -41.890058
where:
bonds (distance) C4'-P energy: -11.073
bonds (distance) P-C4' energy: -8.921
flat angles C4'-P-C4' energy: -14.192
flat angles P-C4'-P energy: -9.292
tors. eta vs tors. theta energy: 1.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -227.475042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.475042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.475042 (E_RNA)
where:
Base-Base interactions energy: -146.655
where: short stacking energy: -78.368
Base-Backbone interact. energy: -0.029
local terms energy: -80.790674
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -17.464
flat angles P-C4'-P energy: -11.582
tors. eta vs tors. theta energy: -24.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -215.865425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.865425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.865425 (E_RNA)
where:
Base-Base interactions energy: -136.134
where: short stacking energy: -69.946
Base-Backbone interact. energy: -0.007
local terms energy: -79.724171
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -15.686
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: -21.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -209.874882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.874882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.874882 (E_RNA)
where:
Base-Base interactions energy: -144.143
where: short stacking energy: -63.229
Base-Backbone interact. energy: -0.133
local terms energy: -65.598600
where:
bonds (distance) C4'-P energy: -7.445
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -16.395
flat angles P-C4'-P energy: -8.382
tors. eta vs tors. theta energy: -15.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -195.170201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.170201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.170201 (E_RNA)
where:
Base-Base interactions energy: -121.920
where: short stacking energy: -57.031
Base-Backbone interact. energy: -0.003
local terms energy: -73.247255
where:
bonds (distance) C4'-P energy: -11.648
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -11.739
flat angles P-C4'-P energy: -11.641
tors. eta vs tors. theta energy: -21.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -183.847147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.847147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.847147 (E_RNA)
where:
Base-Base interactions energy: -116.947
where: short stacking energy: -57.576
Base-Backbone interact. energy: -0.017
local terms energy: -66.882834
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -14.077
flat angles C4'-P-C4' energy: -12.549
flat angles P-C4'-P energy: -11.525
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: 6, replica: 10
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -153.465294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.465294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.465294 (E_RNA)
where:
Base-Base interactions energy: -91.755
where: short stacking energy: -52.235
Base-Backbone interact. energy: -0.004
local terms energy: -61.706282
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -14.096
flat angles C4'-P-C4' energy: -13.930
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -14.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -94.049127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.049127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.049127 (E_RNA)
where:
Base-Base interactions energy: -42.630
where: short stacking energy: -32.470
Base-Backbone interact. energy: -0.010
local terms energy: -51.409026
where:
bonds (distance) C4'-P energy: -10.960
bonds (distance) P-C4' energy: -12.927
flat angles C4'-P-C4' energy: -10.816
flat angles P-C4'-P energy: -8.656
tors. eta vs tors. theta energy: -8.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -83.659162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.659162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.659162 (E_RNA)
where:
Base-Base interactions energy: -44.854
where: short stacking energy: -28.255
Base-Backbone interact. energy: -0.296
local terms energy: -38.509602
where:
bonds (distance) C4'-P energy: -7.693
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -8.790
flat angles P-C4'-P energy: -7.969
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: 9, replica: 5
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -81.485181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.485181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.485181 (E_RNA)
where:
Base-Base interactions energy: -27.714
where: short stacking energy: -25.688
Base-Backbone interact. energy: 0.768
local terms energy: -54.539085
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -14.322
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -8.640
tors. eta vs tors. theta energy: -1.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -73.250516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.250516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.250516 (E_RNA)
where:
Base-Base interactions energy: -26.977
where: short stacking energy: -18.975
Base-Backbone interact. energy: -0.088
local terms energy: -46.185762
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -15.058
flat angles C4'-P-C4' energy: -11.401
flat angles P-C4'-P energy: -5.557
tors. eta vs tors. theta energy: 1.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -221.422654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.422654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.422654 (E_RNA)
where:
Base-Base interactions energy: -143.048
where: short stacking energy: -72.108
Base-Backbone interact. energy: -0.265
local terms energy: -78.109444
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -16.792
flat angles P-C4'-P energy: -10.063
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: 2, replica: 6
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -215.776491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.776491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.776491 (E_RNA)
where:
Base-Base interactions energy: -133.113
where: short stacking energy: -70.150
Base-Backbone interact. energy: -0.654
local terms energy: -82.009656
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -17.266
flat angles P-C4'-P energy: -12.167
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: 3, replica: 2
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -213.202853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.202853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.202853 (E_RNA)
where:
Base-Base interactions energy: -136.801
where: short stacking energy: -68.297
Base-Backbone interact. energy: -0.071
local terms energy: -76.330794
where:
bonds (distance) C4'-P energy: -12.537
bonds (distance) P-C4' energy: -15.587
flat angles C4'-P-C4' energy: -16.397
flat angles P-C4'-P energy: -12.544
tors. eta vs tors. theta energy: -19.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -186.297108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.297108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.297108 (E_RNA)
where:
Base-Base interactions energy: -115.796
where: short stacking energy: -53.639
Base-Backbone interact. energy: -0.066
local terms energy: -70.434472
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -15.049
flat angles P-C4'-P energy: -9.197
tors. eta vs tors. theta energy: -14.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -202.843794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.843794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.843794 (E_RNA)
where:
Base-Base interactions energy: -126.702
where: short stacking energy: -65.466
Base-Backbone interact. energy: -0.727
local terms energy: -75.415211
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -11.869
flat angles C4'-P-C4' energy: -16.442
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -18.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -204.548025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.548025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.548025 (E_RNA)
where:
Base-Base interactions energy: -136.572
where: short stacking energy: -63.456
Base-Backbone interact. energy: -0.174
local terms energy: -67.801541
where:
bonds (distance) C4'-P energy: -13.949
bonds (distance) P-C4' energy: -10.549
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -12.788
tors. eta vs tors. theta energy: -16.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -96.784731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.784731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.784731 (E_RNA)
where:
Base-Base interactions energy: -43.596
where: short stacking energy: -25.095
Base-Backbone interact. energy: -0.067
local terms energy: -53.122286
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -15.594
flat angles C4'-P-C4' energy: -11.226
flat angles P-C4'-P energy: -11.678
tors. eta vs tors. theta energy: -0.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -82.167465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.167465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.167465 (E_RNA)
where:
Base-Base interactions energy: -32.479
where: short stacking energy: -32.479
Base-Backbone interact. energy: -0.076
local terms energy: -49.612184
where:
bonds (distance) C4'-P energy: -11.315
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -13.294
flat angles P-C4'-P energy: -6.684
tors. eta vs tors. theta energy: -5.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -81.382683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.382683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.382683 (E_RNA)
where:
Base-Base interactions energy: -31.218
where: short stacking energy: -29.938
Base-Backbone interact. energy: -0.063
local terms energy: -50.101165
where:
bonds (distance) C4'-P energy: -10.853
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -11.006
flat angles P-C4'-P energy: -8.666
tors. eta vs tors. theta energy: -4.351
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: 10, replica: 1
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -67.779595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.779595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.779595 (E_RNA)
where:
Base-Base interactions energy: -14.667
where: short stacking energy: -7.660
Base-Backbone interact. energy: -0.264
local terms energy: -52.848249
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -15.114
flat angles P-C4'-P energy: -11.876
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: 6
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -219.169595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.169595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.169595 (E_RNA)
where:
Base-Base interactions energy: -136.313
where: short stacking energy: -77.476
Base-Backbone interact. energy: -0.470
local terms energy: -82.386624
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -11.985
tors. eta vs tors. theta energy: -20.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -218.795706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.795706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.795706 (E_RNA)
where:
Base-Base interactions energy: -136.774
where: short stacking energy: -67.070
Base-Backbone interact. energy: -0.468
local terms energy: -81.553696
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -16.979
flat angles P-C4'-P energy: -12.264
tors. eta vs tors. theta energy: -21.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -207.651533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.651533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.651533 (E_RNA)
where:
Base-Base interactions energy: -130.656
where: short stacking energy: -63.887
Base-Backbone interact. energy: -0.127
local terms energy: -76.868511
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -17.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -207.511909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.511909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.511909 (E_RNA)
where:
Base-Base interactions energy: -127.826
where: short stacking energy: -56.518
Base-Backbone interact. energy: -0.147
local terms energy: -79.539029
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -16.380
flat angles C4'-P-C4' energy: -17.879
flat angles P-C4'-P energy: -11.678
tors. eta vs tors. theta energy: -19.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -191.471855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.471855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.471855 (E_RNA)
where:
Base-Base interactions energy: -116.593
where: short stacking energy: -52.859
Base-Backbone interact. energy: -0.598
local terms energy: -74.281147
where:
bonds (distance) C4'-P energy: -15.751
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -16.803
flat angles P-C4'-P energy: -8.713
tors. eta vs tors. theta energy: -16.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -190.802722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.802722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.802722 (E_RNA)
where:
Base-Base interactions energy: -121.340
where: short stacking energy: -67.119
Base-Backbone interact. energy: -0.003
local terms energy: -69.460527
where:
bonds (distance) C4'-P energy: -9.978
bonds (distance) P-C4' energy: -12.493
flat angles C4'-P-C4' energy: -16.005
flat angles P-C4'-P energy: -11.525
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: 7, replica: 3
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -106.429638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.429638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.429638 (E_RNA)
where:
Base-Base interactions energy: -61.887
where: short stacking energy: -32.733
Base-Backbone interact. energy: -0.255
local terms energy: -44.288145
where:
bonds (distance) C4'-P energy: -11.798
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -8.970
flat angles P-C4'-P energy: -1.676
tors. eta vs tors. theta energy: -5.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -91.003442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.003442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.003442 (E_RNA)
where:
Base-Base interactions energy: -40.264
where: short stacking energy: -36.923
Base-Backbone interact. energy: -0.102
local terms energy: -50.637982
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -11.967
flat angles C4'-P-C4' energy: -10.422
flat angles P-C4'-P energy: -6.855
tors. eta vs tors. theta energy: -6.959
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: 398
Temperature: 1.300000
Total energy: -84.018409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.018409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.018409 (E_RNA)
where:
Base-Base interactions energy: -36.747
where: short stacking energy: -36.459
Base-Backbone interact. energy: -0.121
local terms energy: -47.150148
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -14.751
flat angles C4'-P-C4' energy: -11.769
flat angles P-C4'-P energy: -0.494
tors. eta vs tors. theta energy: -7.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -74.801829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.801829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.801829 (E_RNA)
where:
Base-Base interactions energy: -31.136
where: short stacking energy: -26.426
Base-Backbone interact. energy: -0.128
local terms energy: -43.538674
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -9.065
flat angles P-C4'-P energy: -7.758
tors. eta vs tors. theta energy: -0.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -219.177925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.177925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.177925 (E_RNA)
where:
Base-Base interactions energy: -139.819
where: short stacking energy: -72.516
Base-Backbone interact. energy: -0.859
local terms energy: -78.499652
where:
bonds (distance) C4'-P energy: -17.332
bonds (distance) P-C4' energy: -12.900
flat angles C4'-P-C4' energy: -16.312
flat angles P-C4'-P energy: -12.780
tors. eta vs tors. theta energy: -19.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -220.333183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.333183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.333183 (E_RNA)
where:
Base-Base interactions energy: -139.052
where: short stacking energy: -65.007
Base-Backbone interact. energy: -0.056
local terms energy: -81.225144
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -12.431
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: 3, replica: 2
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -203.056776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.056776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.056776 (E_RNA)
where:
Base-Base interactions energy: -131.486
where: short stacking energy: -71.550
Base-Backbone interact. energy: -0.015
local terms energy: -71.555696
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -14.812
flat angles C4'-P-C4' energy: -16.507
flat angles P-C4'-P energy: -8.116
tors. eta vs tors. theta energy: -18.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -202.820591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.820591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.820591 (E_RNA)
where:
Base-Base interactions energy: -129.828
where: short stacking energy: -66.779
Base-Backbone interact. energy: -0.002
local terms energy: -72.990460
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -11.893
flat angles C4'-P-C4' energy: -16.892
flat angles P-C4'-P energy: -10.015
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: 5, replica: 9
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -193.520183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.520183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.520183 (E_RNA)
where:
Base-Base interactions energy: -127.855
where: short stacking energy: -61.120
Base-Backbone interact. energy: -0.117
local terms energy: -65.547587
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -11.765
flat angles P-C4'-P energy: -7.786
tors. eta vs tors. theta energy: -16.283
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: 399
Temperature: 1.150000
Total energy: -170.670561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.670561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.670561 (E_RNA)
where:
Base-Base interactions energy: -110.964
where: short stacking energy: -50.259
Base-Backbone interact. energy: -0.018
local terms energy: -59.689224
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -11.641
flat angles C4'-P-C4' energy: -12.922
flat angles P-C4'-P energy: -11.281
tors. eta vs tors. theta energy: -11.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -87.627036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.627036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.627036 (E_RNA)
where:
Base-Base interactions energy: -30.809
where: short stacking energy: -30.809
Base-Backbone interact. energy: -0.259
local terms energy: -56.559378
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -12.157
flat angles C4'-P-C4' energy: -13.274
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -5.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -87.705758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.705758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.705758 (E_RNA)
where:
Base-Base interactions energy: -39.394
where: short stacking energy: -22.594
Base-Backbone interact. energy: -0.327
local terms energy: -47.985084
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -10.397
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: 1.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -81.313422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.313422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.313422 (E_RNA)
where:
Base-Base interactions energy: -30.071
where: short stacking energy: -31.086
Base-Backbone interact. energy: -0.163
local terms energy: -51.079307
where:
bonds (distance) C4'-P energy: -9.548
bonds (distance) P-C4' energy: -11.493
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -9.875
tors. eta vs tors. theta energy: -4.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -78.442698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.442698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.442698 (E_RNA)
where:
Base-Base interactions energy: -42.247
where: short stacking energy: -31.018
Base-Backbone interact. energy: -0.004
local terms energy: -36.190857
where:
bonds (distance) C4'-P energy: -7.475
bonds (distance) P-C4' energy: -9.592
flat angles C4'-P-C4' energy: -8.211
flat angles P-C4'-P energy: -2.015
tors. eta vs tors. theta energy: -8.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -220.426161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.426161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.426161 (E_RNA)
where:
Base-Base interactions energy: -142.736
where: short stacking energy: -77.131
Base-Backbone interact. energy: -0.018
local terms energy: -77.672257
where:
bonds (distance) C4'-P energy: -11.263
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -14.289
flat angles P-C4'-P energy: -12.771
tors. eta vs tors. theta energy: -22.939
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: 6
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -219.261030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.261030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.261030 (E_RNA)
where:
Base-Base interactions energy: -142.356
where: short stacking energy: -67.434
Base-Backbone interact. energy: -0.030
local terms energy: -76.874910
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -14.458
flat angles P-C4'-P energy: -10.289
tors. eta vs tors. theta energy: -20.743
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: 400
Temperature: 1.000000
Total energy: -215.122352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.122352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.122352 (E_RNA)
where:
Base-Base interactions energy: -139.424
where: short stacking energy: -67.179
Base-Backbone interact. energy: -0.032
local terms energy: -75.666291
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -14.655
flat angles C4'-P-C4' energy: -18.204
flat angles P-C4'-P energy: -8.411
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: 4, replica: 2
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -214.188907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.188907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.188907 (E_RNA)
where:
Base-Base interactions energy: -136.679
where: short stacking energy: -67.545
Base-Backbone interact. energy: -0.014
local terms energy: -77.495920
where:
bonds (distance) C4'-P energy: -13.491
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -18.152
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: -20.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -186.850810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.850810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.850810 (E_RNA)
where:
Base-Base interactions energy: -118.582
where: short stacking energy: -62.262
Base-Backbone interact. energy: -0.000
local terms energy: -68.268527
where:
bonds (distance) C4'-P energy: -12.218
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -8.640
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: 400
Temperature: 1.150000
Total energy: -172.825664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.825664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.825664 (E_RNA)
where:
Base-Base interactions energy: -108.632
where: short stacking energy: -52.911
Base-Backbone interact. energy: -0.057
local terms energy: -64.136521
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -14.664
flat angles C4'-P-C4' energy: -11.054
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: -12.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -89.075250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.075250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.075250 (E_RNA)
where:
Base-Base interactions energy: -37.376
where: short stacking energy: -29.681
Base-Backbone interact. energy: -0.117
local terms energy: -51.582373
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -11.949
flat angles C4'-P-C4' energy: -12.661
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: -4.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -105.739782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.739782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.739782 (E_RNA)
where:
Base-Base interactions energy: -51.271
where: short stacking energy: -36.253
Base-Backbone interact. energy: -0.111
local terms energy: -54.358595
where:
bonds (distance) C4'-P energy: -11.326
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -11.441
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -8.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -84.839742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.839742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.839742 (E_RNA)
where:
Base-Base interactions energy: -38.345
where: short stacking energy: -34.991
Base-Backbone interact. energy: -0.003
local terms energy: -46.491843
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -13.695
flat angles C4'-P-C4' energy: -8.392
flat angles P-C4'-P energy: -4.298
tors. eta vs tors. theta energy: -8.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -69.441710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.441710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.441710 (E_RNA)
where:
Base-Base interactions energy: -24.474
where: short stacking energy: -20.005
Base-Backbone interact. energy: -0.422
local terms energy: -44.545961
where:
bonds (distance) C4'-P energy: -11.672
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -13.370
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: 1.117
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: 401
Temperature: 0.900000
Total energy: -221.654391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.654391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.654391 (E_RNA)
where:
Base-Base interactions energy: -138.457
where: short stacking energy: -67.973
Base-Backbone interact. energy: 0.103
local terms energy: -83.300743
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -17.579
flat angles P-C4'-P energy: -13.764
tors. eta vs tors. theta energy: -23.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -216.509518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.509518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.509518 (E_RNA)
where:
Base-Base interactions energy: -137.228
where: short stacking energy: -75.768
Base-Backbone interact. energy: -0.093
local terms energy: -79.188284
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -16.335
flat angles C4'-P-C4' energy: -16.659
flat angles P-C4'-P energy: -11.457
tors. eta vs tors. theta energy: -21.512
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: 8
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -207.694851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.694851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.694851 (E_RNA)
where:
Base-Base interactions energy: -134.716
where: short stacking energy: -63.009
Base-Backbone interact. energy: -0.025
local terms energy: -72.953005
where:
bonds (distance) C4'-P energy: -14.321
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -16.876
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -14.319
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: 4, replica: 2
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -213.472122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.472122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.472122 (E_RNA)
where:
Base-Base interactions energy: -136.221
where: short stacking energy: -71.150
Base-Backbone interact. energy: -0.006
local terms energy: -77.244670
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -16.629
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -19.480
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: 10
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -198.013728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.013728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.013728 (E_RNA)
where:
Base-Base interactions energy: -128.944
where: short stacking energy: -65.633
Base-Backbone interact. energy: -0.043
local terms energy: -69.026721
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -9.242
tors. eta vs tors. theta energy: -17.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -86.473023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.473023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.473023 (E_RNA)
where:
Base-Base interactions energy: -29.834
where: short stacking energy: -29.834
Base-Backbone interact. energy: -0.118
local terms energy: -56.520473
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -15.270
flat angles C4'-P-C4' energy: -11.870
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -2.996
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: 9
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -167.825882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.825882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.825882 (E_RNA)
where:
Base-Base interactions energy: -109.509
where: short stacking energy: -41.509
Base-Backbone interact. energy: -0.254
local terms energy: -58.062401
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -6.273
tors. eta vs tors. theta energy: -8.569
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: 1
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -86.753761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.753761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.753761 (E_RNA)
where:
Base-Base interactions energy: -46.854
where: short stacking energy: -38.782
Base-Backbone interact. energy: 0.047
local terms energy: -39.946189
where:
bonds (distance) C4'-P energy: -7.747
bonds (distance) P-C4' energy: -11.038
flat angles C4'-P-C4' energy: -11.175
flat angles P-C4'-P energy: -3.447
tors. eta vs tors. theta energy: -6.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -78.614100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.614100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.614100 (E_RNA)
where:
Base-Base interactions energy: -30.192
where: short stacking energy: -30.192
Base-Backbone interact. energy: -0.023
local terms energy: -48.399467
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -15.481
flat angles C4'-P-C4' energy: -9.528
flat angles P-C4'-P energy: -6.770
tors. eta vs tors. theta energy: -5.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -88.668686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.668686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.668686 (E_RNA)
where:
Base-Base interactions energy: -28.452
where: short stacking energy: -28.214
Base-Backbone interact. energy: -0.001
local terms energy: -60.215748
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -13.009
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -7.404
tors. eta vs tors. theta energy: -10.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -221.300025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.300025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.300025 (E_RNA)
where:
Base-Base interactions energy: -139.239
where: short stacking energy: -74.131
Base-Backbone interact. energy: -0.636
local terms energy: -81.424746
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -16.926
flat angles P-C4'-P energy: -10.573
tors. eta vs tors. theta energy: -22.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -215.322014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.322014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.322014 (E_RNA)
where:
Base-Base interactions energy: -135.441
where: short stacking energy: -69.487
Base-Backbone interact. energy: -0.801
local terms energy: -79.080547
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -15.907
flat angles P-C4'-P energy: -13.048
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: 3, replica: 8
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -211.805259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.805259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.805259 (E_RNA)
where:
Base-Base interactions energy: -133.319
where: short stacking energy: -67.922
Base-Backbone interact. energy: -0.020
local terms energy: -78.466297
where:
bonds (distance) C4'-P energy: -12.260
bonds (distance) P-C4' energy: -14.898
flat angles C4'-P-C4' energy: -15.979
flat angles P-C4'-P energy: -11.773
tors. eta vs tors. theta energy: -23.556
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: 2
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -200.938084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.938084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.938084 (E_RNA)
where:
Base-Base interactions energy: -133.807
where: short stacking energy: -65.795
Base-Backbone interact. energy: -0.012
local terms energy: -67.118891
where:
bonds (distance) C4'-P energy: -10.675
bonds (distance) P-C4' energy: -13.207
flat angles C4'-P-C4' energy: -17.524
flat angles P-C4'-P energy: -7.938
tors. eta vs tors. theta energy: -17.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -200.194763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.194763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.194763 (E_RNA)
where:
Base-Base interactions energy: -131.509
where: short stacking energy: -72.531
Base-Backbone interact. energy: -0.104
local terms energy: -68.581769
where:
bonds (distance) C4'-P energy: -13.342
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -13.341
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -19.571
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: 5
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -84.303708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.303708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.303708 (E_RNA)
where:
Base-Base interactions energy: -29.073
where: short stacking energy: -29.073
Base-Backbone interact. energy: -0.346
local terms energy: -54.884547
where:
bonds (distance) C4'-P energy: -11.795
bonds (distance) P-C4' energy: -13.239
flat angles C4'-P-C4' energy: -17.340
flat angles P-C4'-P energy: -8.785
tors. eta vs tors. theta energy: -3.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -177.257484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.257484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.257484 (E_RNA)
where:
Base-Base interactions energy: -121.196
where: short stacking energy: -62.315
Base-Backbone interact. energy: -0.479
local terms energy: -55.582563
where:
bonds (distance) C4'-P energy: -12.499
bonds (distance) P-C4' energy: -10.149
flat angles C4'-P-C4' energy: -16.123
flat angles P-C4'-P energy: -6.328
tors. eta vs tors. theta energy: -10.483
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: 402
Temperature: 1.250000
Total energy: -85.093057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.093057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.093057 (E_RNA)
where:
Base-Base interactions energy: -32.811
where: short stacking energy: -27.437
Base-Backbone interact. energy: -0.276
local terms energy: -52.006214
where:
bonds (distance) C4'-P energy: -10.580
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -9.569
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -5.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -71.572082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.572082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.572082 (E_RNA)
where:
Base-Base interactions energy: -21.661
where: short stacking energy: -21.661
Base-Backbone interact. energy: -0.136
local terms energy: -49.774924
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -13.598
flat angles C4'-P-C4' energy: -7.804
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: -6.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -74.872170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.872170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.872170 (E_RNA)
where:
Base-Base interactions energy: -29.525
where: short stacking energy: -21.815
Base-Backbone interact. energy: -0.035
local terms energy: -45.312371
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -11.073
flat angles P-C4'-P energy: -5.076
tors. eta vs tors. theta energy: 3.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -225.447443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.447443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.447443 (E_RNA)
where:
Base-Base interactions energy: -140.602
where: short stacking energy: -74.512
Base-Backbone interact. energy: -0.994
local terms energy: -83.851135
where:
bonds (distance) C4'-P energy: -16.525
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -16.002
flat angles P-C4'-P energy: -12.847
tors. eta vs tors. theta energy: -21.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -215.970401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.970401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.970401 (E_RNA)
where:
Base-Base interactions energy: -136.507
where: short stacking energy: -69.496
Base-Backbone interact. energy: -0.383
local terms energy: -79.080311
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -18.321
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -21.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -215.762010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.762010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.762010 (E_RNA)
where:
Base-Base interactions energy: -135.300
where: short stacking energy: -67.415
Base-Backbone interact. energy: 0.026
local terms energy: -80.488282
where:
bonds (distance) C4'-P energy: -11.794
bonds (distance) P-C4' energy: -13.925
flat angles C4'-P-C4' energy: -20.044
flat angles P-C4'-P energy: -12.502
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: 4, replica: 10
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -189.236196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.236196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.236196 (E_RNA)
where:
Base-Base interactions energy: -126.624
where: short stacking energy: -60.791
Base-Backbone interact. energy: -0.109
local terms energy: -62.503456
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -9.986
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -8.999
tors. eta vs tors. theta energy: -15.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -201.419622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.419622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.419622 (E_RNA)
where:
Base-Base interactions energy: -134.555
where: short stacking energy: -71.246
Base-Backbone interact. energy: -0.025
local terms energy: -66.839971
where:
bonds (distance) C4'-P energy: -8.972
bonds (distance) P-C4' energy: -16.723
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -7.395
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: 6, replica: 9
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -184.186717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.186717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.186717 (E_RNA)
where:
Base-Base interactions energy: -128.707
where: short stacking energy: -62.203
Base-Backbone interact. energy: -0.010
local terms energy: -55.469060
where:
bonds (distance) C4'-P energy: -13.175
bonds (distance) P-C4' energy: -6.212
flat angles C4'-P-C4' energy: -10.417
flat angles P-C4'-P energy: -9.466
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: 7, replica: 5
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -103.504487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.504487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.504487 (E_RNA)
where:
Base-Base interactions energy: -50.542
where: short stacking energy: -28.333
Base-Backbone interact. energy: -0.112
local terms energy: -52.850456
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -9.060
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: -8.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -83.401205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.401205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.401205 (E_RNA)
where:
Base-Base interactions energy: -31.169
where: short stacking energy: -31.169
Base-Backbone interact. energy: -0.019
local terms energy: -52.213612
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -11.803
flat angles P-C4'-P energy: -7.896
tors. eta vs tors. theta energy: -4.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -82.977016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.977016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.977016 (E_RNA)
where:
Base-Base interactions energy: -32.453
where: short stacking energy: -25.081
Base-Backbone interact. energy: -0.428
local terms energy: -50.095787
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -14.421
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -6.702
tors. eta vs tors. theta energy: -2.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -83.116906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.116906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.116906 (E_RNA)
where:
Base-Base interactions energy: -32.662
where: short stacking energy: -28.047
Base-Backbone interact. energy: -0.010
local terms energy: -50.444567
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -14.756
flat angles C4'-P-C4' energy: -12.262
flat angles P-C4'-P energy: -5.195
tors. eta vs tors. theta energy: -4.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -220.743923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.743923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.743923 (E_RNA)
where:
Base-Base interactions energy: -144.577
where: short stacking energy: -72.705
Base-Backbone interact. energy: -0.013
local terms energy: -76.154292
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -10.921
tors. eta vs tors. theta energy: -21.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -202.946497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.946497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.946497 (E_RNA)
where:
Base-Base interactions energy: -134.246
where: short stacking energy: -54.918
Base-Backbone interact. energy: -0.785
local terms energy: -67.915388
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -14.167
flat angles C4'-P-C4' energy: -15.871
flat angles P-C4'-P energy: -9.922
tors. eta vs tors. theta energy: -14.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -188.243918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.243918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.243918 (E_RNA)
where:
Base-Base interactions energy: -119.740
where: short stacking energy: -56.728
Base-Backbone interact. energy: -0.122
local terms energy: -68.382837
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -14.072
flat angles C4'-P-C4' energy: -15.437
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: -14.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -199.019180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.019180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.019180 (E_RNA)
where:
Base-Base interactions energy: -123.603
where: short stacking energy: -66.330
Base-Backbone interact. energy: 0.015
local terms energy: -75.431005
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -14.258
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: -19.856
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: 9
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -178.149087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.149087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.149087 (E_RNA)
where:
Base-Base interactions energy: -114.119
where: short stacking energy: -55.412
Base-Backbone interact. energy: -0.961
local terms energy: -63.068928
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -12.376
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -10.082
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: 2
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -181.576277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.576277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.576277 (E_RNA)
where:
Base-Base interactions energy: -123.940
where: short stacking energy: -60.205
Base-Backbone interact. energy: -0.362
local terms energy: -57.273938
where:
bonds (distance) C4'-P energy: -9.470
bonds (distance) P-C4' energy: -8.868
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -5.873
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: 7, replica: 7
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -91.789136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.789136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.789136 (E_RNA)
where:
Base-Base interactions energy: -30.352
where: short stacking energy: -29.120
Base-Backbone interact. energy: -0.106
local terms energy: -61.330607
where:
bonds (distance) C4'-P energy: -12.055
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -8.030
tors. eta vs tors. theta energy: -9.846
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: 5
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -88.301116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.301116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.301116 (E_RNA)
where:
Base-Base interactions energy: -31.629
where: short stacking energy: -31.430
Base-Backbone interact. energy: -0.285
local terms energy: -56.387153
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -13.353
flat angles P-C4'-P energy: -11.804
tors. eta vs tors. theta energy: -0.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -84.566704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.566704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.566704 (E_RNA)
where:
Base-Base interactions energy: -31.021
where: short stacking energy: -31.021
Base-Backbone interact. energy: -0.125
local terms energy: -53.420830
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -11.850
tors. eta vs tors. theta energy: 1.892
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: 1
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -73.200385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.200385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.200385 (E_RNA)
where:
Base-Base interactions energy: -31.725
where: short stacking energy: -21.744
Base-Backbone interact. energy: -0.145
local terms energy: -41.330721
where:
bonds (distance) C4'-P energy: -10.480
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -13.194
flat angles P-C4'-P energy: -4.951
tors. eta vs tors. theta energy: 3.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -225.292204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.292204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.292204 (E_RNA)
where:
Base-Base interactions energy: -144.243
where: short stacking energy: -75.830
Base-Backbone interact. energy: -0.089
local terms energy: -80.960713
where:
bonds (distance) C4'-P energy: -15.702
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: -23.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -198.030183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.030183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.030183 (E_RNA)
where:
Base-Base interactions energy: -129.549
where: short stacking energy: -59.982
Base-Backbone interact. energy: -0.126
local terms energy: -68.356048
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -18.192
flat angles C4'-P-C4' energy: -17.835
flat angles P-C4'-P energy: -5.970
tors. eta vs tors. theta energy: -13.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -199.132674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.132674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.132674 (E_RNA)
where:
Base-Base interactions energy: -124.158
where: short stacking energy: -59.996
Base-Backbone interact. energy: -0.063
local terms energy: -74.911871
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -11.608
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -13.456
tors. eta vs tors. theta energy: -18.963
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: 6
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -188.301902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.301902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.301902 (E_RNA)
where:
Base-Base interactions energy: -123.471
where: short stacking energy: -54.089
Base-Backbone interact. energy: 0.562
local terms energy: -65.393220
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -14.709
flat angles P-C4'-P energy: -11.715
tors. eta vs tors. theta energy: -12.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -195.370598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.370598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.370598 (E_RNA)
where:
Base-Base interactions energy: -131.386
where: short stacking energy: -59.364
Base-Backbone interact. energy: -0.023
local terms energy: -63.961104
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -12.600
flat angles P-C4'-P energy: -7.046
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: 6, replica: 2
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -192.954696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.954696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.954696 (E_RNA)
where:
Base-Base interactions energy: -126.805
where: short stacking energy: -64.112
Base-Backbone interact. energy: 1.304
local terms energy: -67.453746
where:
bonds (distance) C4'-P energy: -10.984
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -7.650
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: 7, replica: 7
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -95.055271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.055271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.055271 (E_RNA)
where:
Base-Base interactions energy: -37.511
where: short stacking energy: -37.511
Base-Backbone interact. energy: -0.189
local terms energy: -57.355471
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -9.798
flat angles P-C4'-P energy: -6.327
tors. eta vs tors. theta energy: -10.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -84.759502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.759502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.759502 (E_RNA)
where:
Base-Base interactions energy: -33.417
where: short stacking energy: -32.974
Base-Backbone interact. energy: 3.498
local terms energy: -54.840338
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -10.929
flat angles P-C4'-P energy: -11.967
tors. eta vs tors. theta energy: -4.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -81.201523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.201523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.201523 (E_RNA)
where:
Base-Base interactions energy: -34.885
where: short stacking energy: -13.086
Base-Backbone interact. energy: -0.267
local terms energy: -46.049069
where:
bonds (distance) C4'-P energy: -11.040
bonds (distance) P-C4' energy: -17.462
flat angles C4'-P-C4' energy: -10.368
flat angles P-C4'-P energy: -11.784
tors. eta vs tors. theta energy: 4.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -84.733902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.733902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.733902 (E_RNA)
where:
Base-Base interactions energy: -29.082
where: short stacking energy: -29.082
Base-Backbone interact. energy: -0.037
local terms energy: -55.615431
where:
bonds (distance) C4'-P energy: -11.266
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -9.799
flat angles P-C4'-P energy: -8.300
tors. eta vs tors. theta energy: -9.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -221.105968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.105968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.105968 (E_RNA)
where:
Base-Base interactions energy: -142.277
where: short stacking energy: -68.017
Base-Backbone interact. energy: -0.055
local terms energy: -78.774494
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -17.149
flat angles P-C4'-P energy: -12.913
tors. eta vs tors. theta energy: -19.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -204.444252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.444252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.444252 (E_RNA)
where:
Base-Base interactions energy: -127.582
where: short stacking energy: -63.511
Base-Backbone interact. energy: -0.134
local terms energy: -76.728147
where:
bonds (distance) C4'-P energy: -11.444
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -17.023
flat angles P-C4'-P energy: -11.298
tors. eta vs tors. theta energy: -20.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -199.647851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.647851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.647851 (E_RNA)
where:
Base-Base interactions energy: -134.936
where: short stacking energy: -57.056
Base-Backbone interact. energy: 1.482
local terms energy: -66.194279
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -14.512
flat angles C4'-P-C4' energy: -14.014
flat angles P-C4'-P energy: -8.538
tors. eta vs tors. theta energy: -13.064
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: 4, replica: 8
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -207.351844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.351844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.351844 (E_RNA)
where:
Base-Base interactions energy: -131.908
where: short stacking energy: -66.530
Base-Backbone interact. energy: -0.048
local terms energy: -75.395335
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -10.974
tors. eta vs tors. theta energy: -20.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -208.661701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.661701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.661701 (E_RNA)
where:
Base-Base interactions energy: -140.209
where: short stacking energy: -69.635
Base-Backbone interact. energy: 0.189
local terms energy: -68.641713
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -6.759
tors. eta vs tors. theta energy: -16.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -187.523977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.523977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.523977 (E_RNA)
where:
Base-Base interactions energy: -118.202
where: short stacking energy: -67.213
Base-Backbone interact. energy: 0.469
local terms energy: -69.790915
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -11.987
flat angles C4'-P-C4' energy: -16.691
flat angles P-C4'-P energy: -9.245
tors. eta vs tors. theta energy: -18.158
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: 406
Temperature: 1.200000
Total energy: -87.440976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.440976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.440976 (E_RNA)
where:
Base-Base interactions energy: -37.862
where: short stacking energy: -24.502
Base-Backbone interact. energy: -1.384
local terms energy: -48.194720
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -13.282
flat angles C4'-P-C4' energy: -13.531
flat angles P-C4'-P energy: -5.286
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: 8, replica: 7
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -87.491317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.491317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.491317 (E_RNA)
where:
Base-Base interactions energy: -38.948
where: short stacking energy: -37.752
Base-Backbone interact. energy: -0.041
local terms energy: -48.502431
where:
bonds (distance) C4'-P energy: -6.014
bonds (distance) P-C4' energy: -11.566
flat angles C4'-P-C4' energy: -11.952
flat angles P-C4'-P energy: -6.185
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: 9, replica: 1
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -80.294322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.294322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.294322 (E_RNA)
where:
Base-Base interactions energy: -35.439
where: short stacking energy: -17.373
Base-Backbone interact. energy: -0.271
local terms energy: -44.584700
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -15.238
flat angles C4'-P-C4' energy: -7.482
flat angles P-C4'-P energy: -5.790
tors. eta vs tors. theta energy: -1.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -76.375096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.375096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.375096 (E_RNA)
where:
Base-Base interactions energy: -31.623
where: short stacking energy: -26.743
Base-Backbone interact. energy: -0.334
local terms energy: -44.418520
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -12.453
flat angles C4'-P-C4' energy: -13.254
flat angles P-C4'-P energy: -2.630
tors. eta vs tors. theta energy: -4.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -221.276157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.276157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.276157 (E_RNA)
where:
Base-Base interactions energy: -142.188
where: short stacking energy: -69.936
Base-Backbone interact. energy: -0.386
local terms energy: -78.702183
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -12.906
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -12.206
tors. eta vs tors. theta energy: -24.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -213.190744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.190744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.190744 (E_RNA)
where:
Base-Base interactions energy: -129.896
where: short stacking energy: -65.098
Base-Backbone interact. energy: -0.571
local terms energy: -82.723648
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -17.659
flat angles P-C4'-P energy: -13.047
tors. eta vs tors. theta energy: -22.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -203.144792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.144792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.144792 (E_RNA)
where:
Base-Base interactions energy: -133.327
where: short stacking energy: -71.139
Base-Backbone interact. energy: -0.152
local terms energy: -69.665290
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -4.150
tors. eta vs tors. theta energy: -18.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -202.912667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.912667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.912667 (E_RNA)
where:
Base-Base interactions energy: -131.530
where: short stacking energy: -64.717
Base-Backbone interact. energy: -0.018
local terms energy: -71.365285
where:
bonds (distance) C4'-P energy: -11.059
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -14.749
flat angles P-C4'-P energy: -10.790
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: 5, replica: 2
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -179.742034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.742034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.742034 (E_RNA)
where:
Base-Base interactions energy: -108.655
where: short stacking energy: -59.556
Base-Backbone interact. energy: -0.752
local terms energy: -70.335927
where:
bonds (distance) C4'-P energy: -14.006
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -9.604
tors. eta vs tors. theta energy: -16.672
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: 9
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -189.730480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.730480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.730480 (E_RNA)
where:
Base-Base interactions energy: -128.732
where: short stacking energy: -55.903
Base-Backbone interact. energy: -0.488
local terms energy: -60.510903
where:
bonds (distance) C4'-P energy: -11.055
bonds (distance) P-C4' energy: -12.521
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -9.006
tors. eta vs tors. theta energy: -13.113
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: 7, replica: 3
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -89.509614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.509614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.509614 (E_RNA)
where:
Base-Base interactions energy: -35.249
where: short stacking energy: -18.740
Base-Backbone interact. energy: -0.070
local terms energy: -54.190168
where:
bonds (distance) C4'-P energy: -12.306
bonds (distance) P-C4' energy: -16.880
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -12.687
tors. eta vs tors. theta energy: 2.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -80.908679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.908679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.908679 (E_RNA)
where:
Base-Base interactions energy: -23.550
where: short stacking energy: -23.550
Base-Backbone interact. energy: -0.004
local terms energy: -57.353877
where:
bonds (distance) C4'-P energy: -13.825
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -14.236
flat angles P-C4'-P energy: -9.615
tors. eta vs tors. theta energy: -3.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -80.349221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.349221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.349221 (E_RNA)
where:
Base-Base interactions energy: -31.138
where: short stacking energy: -26.491
Base-Backbone interact. energy: 0.268
local terms energy: -49.479275
where:
bonds (distance) C4'-P energy: -12.280
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -16.612
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: 3.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -88.303417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.303417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.303417 (E_RNA)
where:
Base-Base interactions energy: -35.334
where: short stacking energy: -15.364
Base-Backbone interact. energy: 0.997
local terms energy: -53.966758
where:
bonds (distance) C4'-P energy: -12.860
bonds (distance) P-C4' energy: -16.702
flat angles C4'-P-C4' energy: -10.495
flat angles P-C4'-P energy: -9.127
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: 4
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -227.132559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.132559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.132559 (E_RNA)
where:
Base-Base interactions energy: -143.207
where: short stacking energy: -76.644
Base-Backbone interact. energy: -0.536
local terms energy: -83.389481
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -18.428
flat angles C4'-P-C4' energy: -17.119
flat angles P-C4'-P energy: -12.028
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: 2, replica: 10
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -214.849485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.849485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.849485 (E_RNA)
where:
Base-Base interactions energy: -136.292
where: short stacking energy: -73.485
Base-Backbone interact. energy: -0.027
local terms energy: -78.530085
where:
bonds (distance) C4'-P energy: -13.827
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -13.724
flat angles P-C4'-P energy: -12.875
tors. eta vs tors. theta energy: -21.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -204.265386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.265386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.265386 (E_RNA)
where:
Base-Base interactions energy: -127.247
where: short stacking energy: -64.662
Base-Backbone interact. energy: -0.007
local terms energy: -77.010938
where:
bonds (distance) C4'-P energy: -15.903
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -17.653
flat angles P-C4'-P energy: -12.528
tors. eta vs tors. theta energy: -14.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -207.107711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.107711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.107711 (E_RNA)
where:
Base-Base interactions energy: -138.118
where: short stacking energy: -68.607
Base-Backbone interact. energy: -0.110
local terms energy: -68.879710
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -13.045
flat angles C4'-P-C4' energy: -13.530
flat angles P-C4'-P energy: -9.003
tors. eta vs tors. theta energy: -18.317
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: 408
Temperature: 1.100000
Total energy: -167.355743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.355743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.355743 (E_RNA)
where:
Base-Base interactions energy: -100.822
where: short stacking energy: -56.243
Base-Backbone interact. energy: -0.020
local terms energy: -66.513779
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -15.063
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -12.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -144.685812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.685812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.685812 (E_RNA)
where:
Base-Base interactions energy: -92.763
where: short stacking energy: -39.626
Base-Backbone interact. energy: 0.425
local terms energy: -52.347896
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -14.365
flat angles C4'-P-C4' energy: -15.601
flat angles P-C4'-P energy: -3.371
tors. eta vs tors. theta energy: -3.787
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: 1
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -86.218630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.218630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.218630 (E_RNA)
where:
Base-Base interactions energy: -39.017
where: short stacking energy: -35.314
Base-Backbone interact. energy: -0.029
local terms energy: -47.172355
where:
bonds (distance) C4'-P energy: -11.374
bonds (distance) P-C4' energy: -15.845
flat angles C4'-P-C4' energy: -12.513
flat angles P-C4'-P energy: -2.586
tors. eta vs tors. theta energy: -4.854
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: 8, replica: 3
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -82.357382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.357382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.357382 (E_RNA)
where:
Base-Base interactions energy: -30.361
where: short stacking energy: -24.846
Base-Backbone interact. energy: -2.242
local terms energy: -49.754475
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -5.977
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: 9, replica: 5
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -78.700899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.700899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.700899 (E_RNA)
where:
Base-Base interactions energy: -28.124
where: short stacking energy: -18.128
Base-Backbone interact. energy: -0.082
local terms energy: -50.494255
where:
bonds (distance) C4'-P energy: -13.690
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -7.762
tors. eta vs tors. theta energy: 3.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -76.311572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.311572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.311572 (E_RNA)
where:
Base-Base interactions energy: -29.252
where: short stacking energy: -29.252
Base-Backbone interact. energy: -0.037
local terms energy: -47.022311
where:
bonds (distance) C4'-P energy: -11.889
bonds (distance) P-C4' energy: -11.856
flat angles C4'-P-C4' energy: -12.165
flat angles P-C4'-P energy: -9.659
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: 1, replica: 4
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -218.501256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.501256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.501256 (E_RNA)
where:
Base-Base interactions energy: -142.017
where: short stacking energy: -68.137
Base-Backbone interact. energy: -0.022
local terms energy: -76.462521
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -16.539
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: -18.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -222.746440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.746440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.746440 (E_RNA)
where:
Base-Base interactions energy: -141.114
where: short stacking energy: -70.838
Base-Backbone interact. energy: -0.486
local terms energy: -81.145895
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -14.330
flat angles P-C4'-P energy: -12.414
tors. eta vs tors. theta energy: -21.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -193.139564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.139564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.139564 (E_RNA)
where:
Base-Base interactions energy: -121.908
where: short stacking energy: -62.496
Base-Backbone interact. energy: -0.019
local terms energy: -71.212960
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -15.238
flat angles C4'-P-C4' energy: -13.113
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -15.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -204.884881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.884881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.884881 (E_RNA)
where:
Base-Base interactions energy: -129.060
where: short stacking energy: -65.786
Base-Backbone interact. energy: -0.370
local terms energy: -75.454951
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -12.457
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -21.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -157.381489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.381489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.381489 (E_RNA)
where:
Base-Base interactions energy: -92.565
where: short stacking energy: -39.188
Base-Backbone interact. energy: -0.425
local terms energy: -64.391589
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -17.827
flat angles C4'-P-C4' energy: -17.015
flat angles P-C4'-P energy: -4.962
tors. eta vs tors. theta energy: -9.338
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: 9
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -135.415956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.415956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.415956 (E_RNA)
where:
Base-Base interactions energy: -90.051
where: short stacking energy: -38.845
Base-Backbone interact. energy: -0.472
local terms energy: -44.892607
where:
bonds (distance) C4'-P energy: -9.263
bonds (distance) P-C4' energy: -12.145
flat angles C4'-P-C4' energy: -8.298
flat angles P-C4'-P energy: -9.143
tors. eta vs tors. theta energy: -6.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -97.818529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.818529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.818529 (E_RNA)
where:
Base-Base interactions energy: -39.099
where: short stacking energy: -28.529
Base-Backbone interact. energy: -0.088
local terms energy: -58.632017
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -13.561
flat angles C4'-P-C4' energy: -13.347
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: -7.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -83.137064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.137064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.137064 (E_RNA)
where:
Base-Base interactions energy: -35.102
where: short stacking energy: -32.195
Base-Backbone interact. energy: -0.210
local terms energy: -47.824601
where:
bonds (distance) C4'-P energy: -8.564
bonds (distance) P-C4' energy: -11.621
flat angles C4'-P-C4' energy: -17.978
flat angles P-C4'-P energy: -9.277
tors. eta vs tors. theta energy: -0.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -74.506248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.506248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.506248 (E_RNA)
where:
Base-Base interactions energy: -26.794
where: short stacking energy: -26.163
Base-Backbone interact. energy: -0.280
local terms energy: -47.432791
where:
bonds (distance) C4'-P energy: -14.073
bonds (distance) P-C4' energy: -10.905
flat angles C4'-P-C4' energy: -13.591
flat angles P-C4'-P energy: -6.137
tors. eta vs tors. theta energy: -2.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -68.833055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.833055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.833055 (E_RNA)
where:
Base-Base interactions energy: -30.652
where: short stacking energy: -30.652
Base-Backbone interact. energy: 1.372
local terms energy: -39.553530
where:
bonds (distance) C4'-P energy: -5.872
bonds (distance) P-C4' energy: -16.271
flat angles C4'-P-C4' energy: -10.076
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: 2.239
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: 1, replica: 4
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -224.755393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.755393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.755393 (E_RNA)
where:
Base-Base interactions energy: -149.104
where: short stacking energy: -68.799
Base-Backbone interact. energy: -0.073
local terms energy: -75.577627
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -17.929
flat angles P-C4'-P energy: -10.023
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: 10
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -219.485863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.485863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.485863 (E_RNA)
where:
Base-Base interactions energy: -137.440
where: short stacking energy: -70.772
Base-Backbone interact. energy: -0.023
local terms energy: -82.023705
where:
bonds (distance) C4'-P energy: -12.260
bonds (distance) P-C4' energy: -16.276
flat angles C4'-P-C4' energy: -18.181
flat angles P-C4'-P energy: -14.468
tors. eta vs tors. theta energy: -20.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -209.835996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.835996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.835996 (E_RNA)
where:
Base-Base interactions energy: -133.284
where: short stacking energy: -68.166
Base-Backbone interact. energy: -0.022
local terms energy: -76.530031
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -16.207
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -9.480
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: 4, replica: 6
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -218.089340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.089340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.089340 (E_RNA)
where:
Base-Base interactions energy: -143.377
where: short stacking energy: -73.100
Base-Backbone interact. energy: -0.011
local terms energy: -74.701382
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -13.927
flat angles P-C4'-P energy: -10.036
tors. eta vs tors. theta energy: -18.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -160.157966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.157966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.157966 (E_RNA)
where:
Base-Base interactions energy: -101.538
where: short stacking energy: -60.353
Base-Backbone interact. energy: 0.527
local terms energy: -59.147178
where:
bonds (distance) C4'-P energy: -13.939
bonds (distance) P-C4' energy: -11.467
flat angles C4'-P-C4' energy: -14.460
flat angles P-C4'-P energy: -9.719
tors. eta vs tors. theta energy: -9.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -136.550349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.550349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.550349 (E_RNA)
where:
Base-Base interactions energy: -82.864
where: short stacking energy: -42.644
Base-Backbone interact. energy: 0.732
local terms energy: -54.418724
where:
bonds (distance) C4'-P energy: -11.367
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -11.382
flat angles P-C4'-P energy: -10.778
tors. eta vs tors. theta energy: -6.428
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: 5
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -79.666838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.666838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.666838 (E_RNA)
where:
Base-Base interactions energy: -34.577
where: short stacking energy: -28.160
Base-Backbone interact. energy: -0.228
local terms energy: -44.861459
where:
bonds (distance) C4'-P energy: -10.988
bonds (distance) P-C4' energy: -13.117
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -6.339
tors. eta vs tors. theta energy: -1.188
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: 1
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -99.283413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.283413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.283413 (E_RNA)
where:
Base-Base interactions energy: -41.346
where: short stacking energy: -30.957
Base-Backbone interact. energy: -0.217
local terms energy: -57.719746
where:
bonds (distance) C4'-P energy: -11.405
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -6.252
tors. eta vs tors. theta energy: -4.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -92.036662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.036662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.036662 (E_RNA)
where:
Base-Base interactions energy: -39.013
where: short stacking energy: -35.155
Base-Backbone interact. energy: -0.278
local terms energy: -52.746145
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -12.303
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -7.286
tors. eta vs tors. theta energy: -6.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -77.404360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.404360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.404360 (E_RNA)
where:
Base-Base interactions energy: -28.323
where: short stacking energy: -24.556
Base-Backbone interact. energy: -0.314
local terms energy: -48.767090
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -8.966
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -5.020
tors. eta vs tors. theta energy: -2.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -218.506011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.506011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.506011 (E_RNA)
where:
Base-Base interactions energy: -136.755
where: short stacking energy: -64.696
Base-Backbone interact. energy: -0.185
local terms energy: -81.565835
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -16.601
flat angles P-C4'-P energy: -14.312
tors. eta vs tors. theta energy: -21.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -215.194802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.194802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.194802 (E_RNA)
where:
Base-Base interactions energy: -135.242
where: short stacking energy: -69.248
Base-Backbone interact. energy: -0.002
local terms energy: -79.950567
where:
bonds (distance) C4'-P energy: -17.898
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -17.605
flat angles P-C4'-P energy: -10.890
tors. eta vs tors. theta energy: -18.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -215.775919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.775919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.775919 (E_RNA)
where:
Base-Base interactions energy: -143.064
where: short stacking energy: -71.015
Base-Backbone interact. energy: -0.011
local terms energy: -72.701069
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -13.341
flat angles C4'-P-C4' energy: -15.183
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -20.823
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: 4, replica: 6
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -205.775021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.775021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.775021 (E_RNA)
where:
Base-Base interactions energy: -130.250
where: short stacking energy: -64.136
Base-Backbone interact. energy: -0.755
local terms energy: -74.769642
where:
bonds (distance) C4'-P energy: -11.164
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -16.888
flat angles P-C4'-P energy: -13.295
tors. eta vs tors. theta energy: -19.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -163.289596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.289596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.289596 (E_RNA)
where:
Base-Base interactions energy: -94.832
where: short stacking energy: -50.824
Base-Backbone interact. energy: -0.224
local terms energy: -68.233317
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -17.482
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -4.921
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: 2
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -131.547494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.547494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.547494 (E_RNA)
where:
Base-Base interactions energy: -70.870
where: short stacking energy: -41.150
Base-Backbone interact. energy: -0.082
local terms energy: -60.595278
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -12.464
flat angles C4'-P-C4' energy: -14.495
flat angles P-C4'-P energy: -8.189
tors. eta vs tors. theta energy: -11.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -95.914255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.914255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.914255 (E_RNA)
where:
Base-Base interactions energy: -36.414
where: short stacking energy: -35.248
Base-Backbone interact. energy: -0.262
local terms energy: -59.238828
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -14.450
flat angles C4'-P-C4' energy: -12.520
flat angles P-C4'-P energy: -9.681
tors. eta vs tors. theta energy: -7.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -91.223014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.223014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.223014 (E_RNA)
where:
Base-Base interactions energy: -45.353
where: short stacking energy: -20.413
Base-Backbone interact. energy: -0.220
local terms energy: -45.649204
where:
bonds (distance) C4'-P energy: -12.052
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -13.092
flat angles P-C4'-P energy: -7.548
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: 9, replica: 7
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -82.383376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.383376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.383376 (E_RNA)
where:
Base-Base interactions energy: -31.455
where: short stacking energy: -27.149
Base-Backbone interact. energy: -0.094
local terms energy: -50.834478
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -11.476
flat angles C4'-P-C4' energy: -13.924
flat angles P-C4'-P energy: -4.203
tors. eta vs tors. theta energy: -5.191
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: 3
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -80.593738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.593738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.593738 (E_RNA)
where:
Base-Base interactions energy: -32.497
where: short stacking energy: -21.439
Base-Backbone interact. energy: -0.105
local terms energy: -47.992193
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -12.713
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -6.723
tors. eta vs tors. theta energy: -1.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -223.317366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.317366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.317366 (E_RNA)
where:
Base-Base interactions energy: -138.999
where: short stacking energy: -69.230
Base-Backbone interact. energy: -1.126
local terms energy: -83.191798
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -16.532
flat angles P-C4'-P energy: -12.690
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: 2, replica: 8
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -229.910910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.910910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.910910 (E_RNA)
where:
Base-Base interactions energy: -153.266
where: short stacking energy: -78.290
Base-Backbone interact. energy: 0.003
local terms energy: -76.648081
where:
bonds (distance) C4'-P energy: -17.447
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -16.613
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -20.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -195.232310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.232310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.232310 (E_RNA)
where:
Base-Base interactions energy: -131.092
where: short stacking energy: -57.236
Base-Backbone interact. energy: -0.136
local terms energy: -64.004163
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -3.282
tors. eta vs tors. theta energy: -14.128
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: 10
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -206.498953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.498953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.498953 (E_RNA)
where:
Base-Base interactions energy: -126.330
where: short stacking energy: -65.056
Base-Backbone interact. energy: 0.609
local terms energy: -80.778223
where:
bonds (distance) C4'-P energy: -15.807
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -11.934
tors. eta vs tors. theta energy: -23.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -154.998186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.998186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.998186 (E_RNA)
where:
Base-Base interactions energy: -95.040
where: short stacking energy: -47.238
Base-Backbone interact. energy: -0.364
local terms energy: -59.594897
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -13.413
flat angles C4'-P-C4' energy: -17.549
flat angles P-C4'-P energy: -7.823
tors. eta vs tors. theta energy: -9.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -131.501422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.501422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.501422 (E_RNA)
where:
Base-Base interactions energy: -76.147
where: short stacking energy: -37.298
Base-Backbone interact. energy: -0.577
local terms energy: -54.777443
where:
bonds (distance) C4'-P energy: -11.046
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -8.991
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: -10.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -99.271868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.271868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.271868 (E_RNA)
where:
Base-Base interactions energy: -46.631
where: short stacking energy: -32.228
Base-Backbone interact. energy: -0.005
local terms energy: -52.636042
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -10.924
flat angles C4'-P-C4' energy: -13.314
flat angles P-C4'-P energy: -4.997
tors. eta vs tors. theta energy: -8.711
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: 5
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -86.199609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.199609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.199609 (E_RNA)
where:
Base-Base interactions energy: -39.433
where: short stacking energy: -30.322
Base-Backbone interact. energy: -0.296
local terms energy: -46.470223
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -14.080
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -4.185
tors. eta vs tors. theta energy: -1.018
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: 3
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -76.445093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.445093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.445093 (E_RNA)
where:
Base-Base interactions energy: -23.808
where: short stacking energy: -20.517
Base-Backbone interact. energy: -0.080
local terms energy: -52.556390
where:
bonds (distance) C4'-P energy: -13.189
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -7.885
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -4.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -78.932112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.932112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.932112 (E_RNA)
where:
Base-Base interactions energy: -32.153
where: short stacking energy: -18.156
Base-Backbone interact. energy: -0.673
local terms energy: -46.107036
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -6.006
flat angles P-C4'-P energy: -5.904
tors. eta vs tors. theta energy: -4.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -220.228705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.228705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.228705 (E_RNA)
where:
Base-Base interactions energy: -138.725
where: short stacking energy: -65.143
Base-Backbone interact. energy: -0.074
local terms energy: -81.430064
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -16.924
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -20.648
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: 6
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -203.927471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.927471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.927471 (E_RNA)
where:
Base-Base interactions energy: -135.149
where: short stacking energy: -64.382
Base-Backbone interact. energy: -0.106
local terms energy: -68.673035
where:
bonds (distance) C4'-P energy: -14.028
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -9.354
flat angles P-C4'-P energy: -10.733
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: 8
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -211.227839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.227839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.227839 (E_RNA)
where:
Base-Base interactions energy: -134.813
where: short stacking energy: -66.086
Base-Backbone interact. energy: 0.541
local terms energy: -76.955564
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -17.864
flat angles P-C4'-P energy: -11.560
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: 4, replica: 10
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -180.554928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.554928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.554928 (E_RNA)
where:
Base-Base interactions energy: -125.530
where: short stacking energy: -45.019
Base-Backbone interact. energy: -0.612
local terms energy: -54.413379
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -11.260
flat angles P-C4'-P energy: -6.886
tors. eta vs tors. theta energy: -8.210
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: 5, replica: 2
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -155.583401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.583401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.583401 (E_RNA)
where:
Base-Base interactions energy: -91.035
where: short stacking energy: -48.394
Base-Backbone interact. energy: -0.108
local terms energy: -64.441059
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -12.181
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -9.857
tors. eta vs tors. theta energy: -14.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -106.254300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.254300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.254300 (E_RNA)
where:
Base-Base interactions energy: -46.825
where: short stacking energy: -33.566
Base-Backbone interact. energy: -0.320
local terms energy: -59.109064
where:
bonds (distance) C4'-P energy: -11.723
bonds (distance) P-C4' energy: -12.412
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -12.281
tors. eta vs tors. theta energy: -7.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -130.536593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.536593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.536593 (E_RNA)
where:
Base-Base interactions energy: -78.543
where: short stacking energy: -42.848
Base-Backbone interact. energy: -0.347
local terms energy: -51.647049
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -11.774
flat angles C4'-P-C4' energy: -13.045
flat angles P-C4'-P energy: -6.824
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: 8, replica: 3
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -87.357972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.357972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.357972 (E_RNA)
where:
Base-Base interactions energy: -41.476
where: short stacking energy: -22.161
Base-Backbone interact. energy: -0.432
local terms energy: -45.450132
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -9.347
flat angles P-C4'-P energy: -6.531
tors. eta vs tors. theta energy: -1.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -75.423320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.423320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.423320 (E_RNA)
where:
Base-Base interactions energy: -21.814
where: short stacking energy: -21.814
Base-Backbone interact. energy: -0.125
local terms energy: -53.483589
where:
bonds (distance) C4'-P energy: -15.261
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -12.147
flat angles P-C4'-P energy: -12.644
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: 10, replica: 7
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -79.396435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.396435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.396435 (E_RNA)
where:
Base-Base interactions energy: -29.672
where: short stacking energy: -29.672
Base-Backbone interact. energy: -0.090
local terms energy: -49.634206
where:
bonds (distance) C4'-P energy: -8.957
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -6.739
tors. eta vs tors. theta energy: -4.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -217.561727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.561727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.561727 (E_RNA)
where:
Base-Base interactions energy: -138.899
where: short stacking energy: -74.484
Base-Backbone interact. energy: 1.030
local terms energy: -79.693368
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -12.201
flat angles P-C4'-P energy: -13.214
tors. eta vs tors. theta energy: -23.461
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: 414
Temperature: 0.950000
Total energy: -217.020769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.020769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.020769 (E_RNA)
where:
Base-Base interactions energy: -141.189
where: short stacking energy: -65.652
Base-Backbone interact. energy: -0.013
local terms energy: -75.818783
where:
bonds (distance) C4'-P energy: -12.585
bonds (distance) P-C4' energy: -15.159
flat angles C4'-P-C4' energy: -15.236
flat angles P-C4'-P energy: -12.313
tors. eta vs tors. theta energy: -20.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -196.396501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.396501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.396501 (E_RNA)
where:
Base-Base interactions energy: -134.070
where: short stacking energy: -62.978
Base-Backbone interact. energy: -0.993
local terms energy: -61.333546
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -9.949
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -8.283
tors. eta vs tors. theta energy: -14.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -207.914261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.914261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.914261 (E_RNA)
where:
Base-Base interactions energy: -132.803
where: short stacking energy: -61.076
Base-Backbone interact. energy: -0.048
local terms energy: -75.063139
where:
bonds (distance) C4'-P energy: -14.307
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -16.548
flat angles P-C4'-P energy: -10.893
tors. eta vs tors. theta energy: -16.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -105.727810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.727810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.727810 (E_RNA)
where:
Base-Base interactions energy: -54.646
where: short stacking energy: -34.951
Base-Backbone interact. energy: -0.636
local terms energy: -50.445354
where:
bonds (distance) C4'-P energy: -9.975
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -12.889
flat angles P-C4'-P energy: -8.936
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: 6, replica: 2
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -167.526246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.526246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.526246 (E_RNA)
where:
Base-Base interactions energy: -101.382
where: short stacking energy: -57.739
Base-Backbone interact. energy: -0.213
local terms energy: -65.930519
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -12.278
flat angles C4'-P-C4' energy: -13.312
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: -18.366
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: 414
Temperature: 1.200000
Total energy: -99.807767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.807767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.807767 (E_RNA)
where:
Base-Base interactions energy: -43.471
where: short stacking energy: -30.642
Base-Backbone interact. energy: -0.201
local terms energy: -56.135352
where:
bonds (distance) C4'-P energy: -10.837
bonds (distance) P-C4' energy: -14.918
flat angles C4'-P-C4' energy: -13.056
flat angles P-C4'-P energy: -9.947
tors. eta vs tors. theta energy: -7.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -137.242505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.242505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.242505 (E_RNA)
where:
Base-Base interactions energy: -72.067
where: short stacking energy: -37.732
Base-Backbone interact. energy: -0.504
local terms energy: -64.671088
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -12.935
flat angles C4'-P-C4' energy: -9.913
flat angles P-C4'-P energy: -11.816
tors. eta vs tors. theta energy: -15.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -83.288041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.288041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.288041 (E_RNA)
where:
Base-Base interactions energy: -40.125
where: short stacking energy: -10.753
Base-Backbone interact. energy: -0.704
local terms energy: -42.458548
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -12.365
flat angles C4'-P-C4' energy: -9.507
flat angles P-C4'-P energy: -3.914
tors. eta vs tors. theta energy: -3.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -81.663795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.663795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.663795 (E_RNA)
where:
Base-Base interactions energy: -29.805
where: short stacking energy: -29.805
Base-Backbone interact. energy: -0.106
local terms energy: -51.752282
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -11.755
flat angles P-C4'-P energy: -7.703
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: 1, replica: 6
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -228.455291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.455291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.455291 (E_RNA)
where:
Base-Base interactions energy: -141.584
where: short stacking energy: -72.393
Base-Backbone interact. energy: -0.043
local terms energy: -86.827890
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -18.158
flat angles P-C4'-P energy: -14.195
tors. eta vs tors. theta energy: -22.612
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: 4
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -218.694482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.694482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.694482 (E_RNA)
where:
Base-Base interactions energy: -135.139
where: short stacking energy: -67.974
Base-Backbone interact. energy: -0.525
local terms energy: -83.030893
where:
bonds (distance) C4'-P energy: -12.009
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -16.709
flat angles P-C4'-P energy: -12.545
tors. eta vs tors. theta energy: -23.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -203.431382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.431382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.431382 (E_RNA)
where:
Base-Base interactions energy: -135.962
where: short stacking energy: -62.204
Base-Backbone interact. energy: -0.075
local terms energy: -67.394882
where:
bonds (distance) C4'-P energy: -10.414
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -16.858
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -14.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -211.713245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.713245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.713245 (E_RNA)
where:
Base-Base interactions energy: -133.324
where: short stacking energy: -70.297
Base-Backbone interact. energy: -0.015
local terms energy: -78.373932
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -14.090
flat angles C4'-P-C4' energy: -17.235
flat angles P-C4'-P energy: -10.961
tors. eta vs tors. theta energy: -23.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -103.032855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.032855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.032855 (E_RNA)
where:
Base-Base interactions energy: -44.800
where: short stacking energy: -31.713
Base-Backbone interact. energy: 2.739
local terms energy: -60.971865
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -8.743
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: 6, replica: 2
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -160.784828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.784828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.784828 (E_RNA)
where:
Base-Base interactions energy: -96.219
where: short stacking energy: -46.344
Base-Backbone interact. energy: -0.284
local terms energy: -64.281416
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -13.080
flat angles C4'-P-C4' energy: -14.465
flat angles P-C4'-P energy: -9.839
tors. eta vs tors. theta energy: -14.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -106.652688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.652688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.652688 (E_RNA)
where:
Base-Base interactions energy: -45.267
where: short stacking energy: -39.911
Base-Backbone interact. energy: -0.297
local terms energy: -61.089393
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -17.418
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: -3.421
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: 415
Temperature: 1.250000
Total energy: -86.452017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.452017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.452017 (E_RNA)
where:
Base-Base interactions energy: -25.808
where: short stacking energy: -25.696
Base-Backbone interact. energy: 0.067
local terms energy: -60.710694
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -15.889
flat angles C4'-P-C4' energy: -12.088
flat angles P-C4'-P energy: -9.675
tors. eta vs tors. theta energy: -6.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -89.352157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.352157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.352157 (E_RNA)
where:
Base-Base interactions energy: -38.697
where: short stacking energy: -38.697
Base-Backbone interact. energy: -0.074
local terms energy: -50.581121
where:
bonds (distance) C4'-P energy: -12.492
bonds (distance) P-C4' energy: -15.753
flat angles C4'-P-C4' energy: -12.493
flat angles P-C4'-P energy: -2.854
tors. eta vs tors. theta energy: -6.989
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: 5
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -67.615045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.615045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.615045 (E_RNA)
where:
Base-Base interactions energy: -20.172
where: short stacking energy: -22.289
Base-Backbone interact. energy: -0.321
local terms energy: -47.121996
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -15.418
flat angles C4'-P-C4' energy: -6.386
flat angles P-C4'-P energy: -8.059
tors. eta vs tors. theta energy: -0.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -219.190730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.190730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.190730 (E_RNA)
where:
Base-Base interactions energy: -135.882
where: short stacking energy: -73.768
Base-Backbone interact. energy: -0.007
local terms energy: -83.300790
where:
bonds (distance) C4'-P energy: -17.343
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -12.300
tors. eta vs tors. theta energy: -19.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -220.297337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.297337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.297337 (E_RNA)
where:
Base-Base interactions energy: -139.815
where: short stacking energy: -69.364
Base-Backbone interact. energy: -0.044
local terms energy: -80.439320
where:
bonds (distance) C4'-P energy: -13.336
bonds (distance) P-C4' energy: -15.299
flat angles C4'-P-C4' energy: -17.424
flat angles P-C4'-P energy: -11.338
tors. eta vs tors. theta energy: -23.041
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: 10
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -210.131717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.131717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.131717 (E_RNA)
where:
Base-Base interactions energy: -137.925
where: short stacking energy: -59.862
Base-Backbone interact. energy: -0.869
local terms energy: -71.338373
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -15.546
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: -18.663
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: 8
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -221.596982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.596982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.596982 (E_RNA)
where:
Base-Base interactions energy: -146.620
where: short stacking energy: -72.109
Base-Backbone interact. energy: -0.220
local terms energy: -74.757237
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -18.473
flat angles P-C4'-P energy: -5.736
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: 5, replica: 2
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -164.813095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.813095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.813095 (E_RNA)
where:
Base-Base interactions energy: -100.487
where: short stacking energy: -44.450
Base-Backbone interact. energy: -0.174
local terms energy: -64.151914
where:
bonds (distance) C4'-P energy: -17.816
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -8.629
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: 1
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -102.216997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.216997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.216997 (E_RNA)
where:
Base-Base interactions energy: -38.195
where: short stacking energy: -38.195
Base-Backbone interact. energy: -0.008
local terms energy: -64.013775
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -12.180
flat angles P-C4'-P energy: -11.437
tors. eta vs tors. theta energy: -11.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -80.361191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.361191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.361191 (E_RNA)
where:
Base-Base interactions energy: -36.352
where: short stacking energy: -28.135
Base-Backbone interact. energy: -0.136
local terms energy: -43.873010
where:
bonds (distance) C4'-P energy: -14.081
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -9.447
flat angles P-C4'-P energy: -2.522
tors. eta vs tors. theta energy: -1.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -96.865816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.865816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.865816 (E_RNA)
where:
Base-Base interactions energy: -42.357
where: short stacking energy: -26.321
Base-Backbone interact. energy: -0.262
local terms energy: -54.246615
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: -3.654
tors. eta vs tors. theta energy: -5.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -91.443169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.443169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.443169 (E_RNA)
where:
Base-Base interactions energy: -36.536
where: short stacking energy: -21.509
Base-Backbone interact. energy: -0.769
local terms energy: -54.138600
where:
bonds (distance) C4'-P energy: -13.015
bonds (distance) P-C4' energy: -13.943
flat angles C4'-P-C4' energy: -13.855
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: -4.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -86.708238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.708238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.708238 (E_RNA)
where:
Base-Base interactions energy: -42.527
where: short stacking energy: -26.725
Base-Backbone interact. energy: -0.134
local terms energy: -44.046492
where:
bonds (distance) C4'-P energy: -8.166
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -13.794
flat angles P-C4'-P energy: -4.681
tors. eta vs tors. theta energy: -2.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -218.689545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.689545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.689545 (E_RNA)
where:
Base-Base interactions energy: -141.473
where: short stacking energy: -71.137
Base-Backbone interact. energy: -0.166
local terms energy: -77.050208
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -16.458
flat angles C4'-P-C4' energy: -14.644
flat angles P-C4'-P energy: -10.682
tors. eta vs tors. theta energy: -19.511
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: 6
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -217.755307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.755307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.755307 (E_RNA)
where:
Base-Base interactions energy: -141.482
where: short stacking energy: -65.497
Base-Backbone interact. energy: 0.307
local terms energy: -76.580674
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -14.493
tors. eta vs tors. theta energy: -16.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -212.372339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.372339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.372339 (E_RNA)
where:
Base-Base interactions energy: -135.297
where: short stacking energy: -69.622
Base-Backbone interact. energy: -0.043
local terms energy: -77.031434
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -13.179
flat angles C4'-P-C4' energy: -16.389
flat angles P-C4'-P energy: -9.067
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: 4, replica: 8
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -192.651190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.651190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.651190 (E_RNA)
where:
Base-Base interactions energy: -123.770
where: short stacking energy: -65.246
Base-Backbone interact. energy: -0.002
local terms energy: -68.879079
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -8.303
tors. eta vs tors. theta energy: -16.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -160.020042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.020042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.020042 (E_RNA)
where:
Base-Base interactions energy: -93.067
where: short stacking energy: -41.122
Base-Backbone interact. energy: -0.291
local terms energy: -66.662786
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -15.981
flat angles C4'-P-C4' energy: -10.909
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: -13.548
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: 3
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -97.293166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.293166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.293166 (E_RNA)
where:
Base-Base interactions energy: -51.164
where: short stacking energy: -19.626
Base-Backbone interact. energy: -0.158
local terms energy: -45.970620
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -4.624
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: -1.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -94.349256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.349256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.349256 (E_RNA)
where:
Base-Base interactions energy: -35.521
where: short stacking energy: -34.181
Base-Backbone interact. energy: -0.061
local terms energy: -58.767176
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -15.723
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -6.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -85.500340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.500340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.500340 (E_RNA)
where:
Base-Base interactions energy: -32.383
where: short stacking energy: -32.383
Base-Backbone interact. energy: -0.374
local terms energy: -52.743130
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -9.756
flat angles C4'-P-C4' energy: -13.846
flat angles P-C4'-P energy: -10.064
tors. eta vs tors. theta energy: -5.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -73.043095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.043095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.043095 (E_RNA)
where:
Base-Base interactions energy: -19.727
where: short stacking energy: -18.338
Base-Backbone interact. energy: -0.240
local terms energy: -53.076212
where:
bonds (distance) C4'-P energy: -15.008
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -16.549
flat angles P-C4'-P energy: -7.350
tors. eta vs tors. theta energy: 2.241
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: 417
Temperature: 1.350000
Total energy: -76.303567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.303567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.303567 (E_RNA)
where:
Base-Base interactions energy: -25.315
where: short stacking energy: -25.315
Base-Backbone interact. energy: -0.027
local terms energy: -50.961947
where:
bonds (distance) C4'-P energy: -11.670
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -14.015
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -0.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -226.122389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.122389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.122389 (E_RNA)
where:
Base-Base interactions energy: -144.919
where: short stacking energy: -71.642
Base-Backbone interact. energy: -0.066
local terms energy: -81.137048
where:
bonds (distance) C4'-P energy: -17.319
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -16.800
flat angles P-C4'-P energy: -11.475
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: 2, replica: 4
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -215.880397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.880397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.880397 (E_RNA)
where:
Base-Base interactions energy: -142.505
where: short stacking energy: -69.030
Base-Backbone interact. energy: 0.983
local terms energy: -74.358161
where:
bonds (distance) C4'-P energy: -16.714
bonds (distance) P-C4' energy: -14.242
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: -17.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -205.519159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.519159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.519159 (E_RNA)
where:
Base-Base interactions energy: -128.562
where: short stacking energy: -62.086
Base-Backbone interact. energy: -1.006
local terms energy: -75.951552
where:
bonds (distance) C4'-P energy: -11.982
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -14.707
flat angles P-C4'-P energy: -10.950
tors. eta vs tors. theta energy: -21.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -201.888957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.888957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.888957 (E_RNA)
where:
Base-Base interactions energy: -123.599
where: short stacking energy: -69.639
Base-Backbone interact. energy: -0.080
local terms energy: -78.210020
where:
bonds (distance) C4'-P energy: -10.340
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -16.583
flat angles P-C4'-P energy: -13.771
tors. eta vs tors. theta energy: -22.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -139.607577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.607577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.607577 (E_RNA)
where:
Base-Base interactions energy: -79.084
where: short stacking energy: -41.429
Base-Backbone interact. energy: -0.200
local terms energy: -60.323707
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -11.449
flat angles P-C4'-P energy: -8.985
tors. eta vs tors. theta energy: -9.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -93.075396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.075396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.075396 (E_RNA)
where:
Base-Base interactions energy: -44.917
where: short stacking energy: -37.122
Base-Backbone interact. energy: -0.401
local terms energy: -47.757772
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -12.372
flat angles P-C4'-P energy: -7.362
tors. eta vs tors. theta energy: -2.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -87.001636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.001636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.001636 (E_RNA)
where:
Base-Base interactions energy: -32.949
where: short stacking energy: -27.431
Base-Backbone interact. energy: 0.114
local terms energy: -54.166690
where:
bonds (distance) C4'-P energy: -8.820
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -6.982
tors. eta vs tors. theta energy: -6.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -101.202748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.202748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.202748 (E_RNA)
where:
Base-Base interactions energy: -46.183
where: short stacking energy: -27.841
Base-Backbone interact. energy: -0.092
local terms energy: -54.927241
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -9.393
flat angles C4'-P-C4' energy: -14.336
flat angles P-C4'-P energy: -9.716
tors. eta vs tors. theta energy: -6.088
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: 9
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -77.090328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.090328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.090328 (E_RNA)
where:
Base-Base interactions energy: -34.166
where: short stacking energy: -22.570
Base-Backbone interact. energy: 0.089
local terms energy: -43.013259
where:
bonds (distance) C4'-P energy: -8.911
bonds (distance) P-C4' energy: -16.937
flat angles C4'-P-C4' energy: -13.256
flat angles P-C4'-P energy: -1.224
tors. eta vs tors. theta energy: -2.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -70.010464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.010464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.010464 (E_RNA)
where:
Base-Base interactions energy: -22.292
where: short stacking energy: -22.292
Base-Backbone interact. energy: -0.131
local terms energy: -47.587111
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -13.368
flat angles C4'-P-C4' energy: -12.096
flat angles P-C4'-P energy: -6.233
tors. eta vs tors. theta energy: -0.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -225.435394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.435394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.435394 (E_RNA)
where:
Base-Base interactions energy: -143.477
where: short stacking energy: -75.581
Base-Backbone interact. energy: 0.169
local terms energy: -82.126982
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -18.752
flat angles P-C4'-P energy: -12.575
tors. eta vs tors. theta energy: -23.481
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: 8
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -197.312771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.312771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.312771 (E_RNA)
where:
Base-Base interactions energy: -121.594
where: short stacking energy: -62.088
Base-Backbone interact. energy: -0.465
local terms energy: -75.253854
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -13.190
flat angles C4'-P-C4' energy: -16.667
flat angles P-C4'-P energy: -9.114
tors. eta vs tors. theta energy: -19.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -208.118705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.118705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.118705 (E_RNA)
where:
Base-Base interactions energy: -130.928
where: short stacking energy: -66.184
Base-Backbone interact. energy: -0.371
local terms energy: -76.820268
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -14.174
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: 10
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -194.255632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.255632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.255632 (E_RNA)
where:
Base-Base interactions energy: -121.178
where: short stacking energy: -63.708
Base-Backbone interact. energy: -0.416
local terms energy: -72.661648
where:
bonds (distance) C4'-P energy: -16.922
bonds (distance) P-C4' energy: -13.799
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -9.022
tors. eta vs tors. theta energy: -18.836
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: 5, replica: 2
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -134.791000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.791000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.791000 (E_RNA)
where:
Base-Base interactions energy: -71.747
where: short stacking energy: -46.053
Base-Backbone interact. energy: -0.177
local terms energy: -62.866902
where:
bonds (distance) C4'-P energy: -13.664
bonds (distance) P-C4' energy: -13.872
flat angles C4'-P-C4' energy: -12.931
flat angles P-C4'-P energy: -9.216
tors. eta vs tors. theta energy: -13.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -108.694342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.694342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.694342 (E_RNA)
where:
Base-Base interactions energy: -61.971
where: short stacking energy: -34.038
Base-Backbone interact. energy: -0.246
local terms energy: -46.478006
where:
bonds (distance) C4'-P energy: -10.881
bonds (distance) P-C4' energy: -9.317
flat angles C4'-P-C4' energy: -13.780
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -4.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -104.024113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.024113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.024113 (E_RNA)
where:
Base-Base interactions energy: -50.287
where: short stacking energy: -25.864
Base-Backbone interact. energy: -0.562
local terms energy: -53.174710
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -8.080
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: -4.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -90.295467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.295467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.295467 (E_RNA)
where:
Base-Base interactions energy: -33.571
where: short stacking energy: -33.571
Base-Backbone interact. energy: 2.228
local terms energy: -58.951817
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -13.541
flat angles P-C4'-P energy: -7.812
tors. eta vs tors. theta energy: -5.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -83.392315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.392315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.392315 (E_RNA)
where:
Base-Base interactions energy: -34.669
where: short stacking energy: -34.268
Base-Backbone interact. energy: 1.306
local terms energy: -50.029380
where:
bonds (distance) C4'-P energy: -7.707
bonds (distance) P-C4' energy: -11.933
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -6.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -69.813987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.813987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.813987 (E_RNA)
where:
Base-Base interactions energy: -27.128
where: short stacking energy: -22.448
Base-Backbone interact. energy: 1.407
local terms energy: -44.092820
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -14.985
flat angles C4'-P-C4' energy: -14.019
flat angles P-C4'-P energy: -6.863
tors. eta vs tors. theta energy: 4.556
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: 6
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -223.482217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.482217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.482217 (E_RNA)
where:
Base-Base interactions energy: -139.940
where: short stacking energy: -70.334
Base-Backbone interact. energy: -0.052
local terms energy: -83.490290
where:
bonds (distance) C4'-P energy: -17.402
bonds (distance) P-C4' energy: -16.037
flat angles C4'-P-C4' energy: -17.891
flat angles P-C4'-P energy: -8.350
tors. eta vs tors. theta energy: -23.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -200.632510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.632510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.632510 (E_RNA)
where:
Base-Base interactions energy: -128.323
where: short stacking energy: -72.236
Base-Backbone interact. energy: -0.007
local terms energy: -72.301674
where:
bonds (distance) C4'-P energy: -15.454
bonds (distance) P-C4' energy: -13.280
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -10.979
tors. eta vs tors. theta energy: -18.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -205.485778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.485778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.485778 (E_RNA)
where:
Base-Base interactions energy: -130.714
where: short stacking energy: -66.341
Base-Backbone interact. energy: -0.021
local terms energy: -74.750371
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -12.994
tors. eta vs tors. theta energy: -18.608
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: 10
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -197.187568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.187568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.187568 (E_RNA)
where:
Base-Base interactions energy: -132.562
where: short stacking energy: -69.601
Base-Backbone interact. energy: 0.748
local terms energy: -65.373907
where:
bonds (distance) C4'-P energy: -8.170
bonds (distance) P-C4' energy: -12.897
flat angles C4'-P-C4' energy: -13.766
flat angles P-C4'-P energy: -10.760
tors. eta vs tors. theta energy: -19.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -139.416684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.416684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.416684 (E_RNA)
where:
Base-Base interactions energy: -78.746
where: short stacking energy: -54.422
Base-Backbone interact. energy: -0.150
local terms energy: -60.520627
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -9.781
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -7.851
tors. eta vs tors. theta energy: -13.967
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: 7
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -106.222099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.222099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.222099 (E_RNA)
where:
Base-Base interactions energy: -49.068
where: short stacking energy: -39.055
Base-Backbone interact. energy: 0.477
local terms energy: -57.630355
where:
bonds (distance) C4'-P energy: -11.126
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -8.430
tors. eta vs tors. theta energy: -9.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -97.072788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.072788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.072788 (E_RNA)
where:
Base-Base interactions energy: -43.447
where: short stacking energy: -28.225
Base-Backbone interact. energy: -0.248
local terms energy: -53.377395
where:
bonds (distance) C4'-P energy: -14.073
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -11.813
flat angles P-C4'-P energy: -9.057
tors. eta vs tors. theta energy: -2.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -82.706178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.706178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.706178 (E_RNA)
where:
Base-Base interactions energy: -24.997
where: short stacking energy: -24.997
Base-Backbone interact. energy: -0.067
local terms energy: -57.641811
where:
bonds (distance) C4'-P energy: -18.209
bonds (distance) P-C4' energy: -13.657
flat angles C4'-P-C4' energy: -12.252
flat angles P-C4'-P energy: -10.281
tors. eta vs tors. theta energy: -3.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -80.615342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.615342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.615342 (E_RNA)
where:
Base-Base interactions energy: -31.901
where: short stacking energy: -27.165
Base-Backbone interact. energy: -0.138
local terms energy: -48.576158
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -9.108
flat angles P-C4'-P energy: -8.166
tors. eta vs tors. theta energy: -1.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -68.940431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.940431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.940431 (E_RNA)
where:
Base-Base interactions energy: -19.765
where: short stacking energy: -19.765
Base-Backbone interact. energy: -1.176
local terms energy: -47.999089
where:
bonds (distance) C4'-P energy: -11.461
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -11.928
flat angles P-C4'-P energy: -3.922
tors. eta vs tors. theta energy: -4.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -219.471756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.471756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.471756 (E_RNA)
where:
Base-Base interactions energy: -135.487
where: short stacking energy: -72.105
Base-Backbone interact. energy: -0.474
local terms energy: -83.511204
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -13.213
flat angles C4'-P-C4' energy: -17.081
flat angles P-C4'-P energy: -13.248
tors. eta vs tors. theta energy: -23.362
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: 4
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -218.551346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.551346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.551346 (E_RNA)
where:
Base-Base interactions energy: -138.714
where: short stacking energy: -71.789
Base-Backbone interact. energy: -0.045
local terms energy: -79.793266
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -13.180
flat angles C4'-P-C4' energy: -16.730
flat angles P-C4'-P energy: -10.465
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: 3, replica: 8
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -193.445921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.445921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.445921 (E_RNA)
where:
Base-Base interactions energy: -132.708
where: short stacking energy: -51.149
Base-Backbone interact. energy: -0.167
local terms energy: -60.571090
where:
bonds (distance) C4'-P energy: -9.632
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -12.700
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -9.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -214.048269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.048269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.048269 (E_RNA)
where:
Base-Base interactions energy: -136.493
where: short stacking energy: -72.383
Base-Backbone interact. energy: -1.789
local terms energy: -75.765405
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -16.425
flat angles P-C4'-P energy: -12.888
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: 5, replica: 2
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -155.874649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.874649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.874649 (E_RNA)
where:
Base-Base interactions energy: -89.973
where: short stacking energy: -50.805
Base-Backbone interact. energy: -0.895
local terms energy: -65.006476
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -8.946
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: 3
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -101.098840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.098840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.098840 (E_RNA)
where:
Base-Base interactions energy: -51.754
where: short stacking energy: -37.183
Base-Backbone interact. energy: -0.240
local terms energy: -49.105073
where:
bonds (distance) C4'-P energy: -12.491
bonds (distance) P-C4' energy: -11.369
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -1.855
tors. eta vs tors. theta energy: -10.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -93.658155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.658155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.658155 (E_RNA)
where:
Base-Base interactions energy: -42.978
where: short stacking energy: -25.218
Base-Backbone interact. energy: -0.890
local terms energy: -49.789314
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -15.052
flat angles C4'-P-C4' energy: -14.446
flat angles P-C4'-P energy: -6.448
tors. eta vs tors. theta energy: -1.135
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: 5
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -90.738852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.738852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.738852 (E_RNA)
where:
Base-Base interactions energy: -44.389
where: short stacking energy: -27.806
Base-Backbone interact. energy: 0.912
local terms energy: -47.261832
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -6.442
flat angles P-C4'-P energy: -5.813
tors. eta vs tors. theta energy: -6.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -78.807273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.807273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.807273 (E_RNA)
where:
Base-Base interactions energy: -33.893
where: short stacking energy: -30.915
Base-Backbone interact. energy: -0.472
local terms energy: -44.442510
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -6.710
flat angles P-C4'-P energy: -7.886
tors. eta vs tors. theta energy: -1.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -72.527406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.527406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.527406 (E_RNA)
where:
Base-Base interactions energy: -22.404
where: short stacking energy: -18.761
Base-Backbone interact. energy: -0.104
local terms energy: -50.020162
where:
bonds (distance) C4'-P energy: -11.123
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -12.942
flat angles P-C4'-P energy: -7.480
tors. eta vs tors. theta energy: -1.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -224.004931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.004931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.004931 (E_RNA)
where:
Base-Base interactions energy: -145.801
where: short stacking energy: -74.461
Base-Backbone interact. energy: -0.059
local terms energy: -78.144874
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -10.967
flat angles C4'-P-C4' energy: -17.339
flat angles P-C4'-P energy: -15.182
tors. eta vs tors. theta energy: -22.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -220.564248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.564248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.564248 (E_RNA)
where:
Base-Base interactions energy: -150.853
where: short stacking energy: -71.531
Base-Backbone interact. energy: 0.123
local terms energy: -69.834317
where:
bonds (distance) C4'-P energy: -9.639
bonds (distance) P-C4' energy: -11.823
flat angles C4'-P-C4' energy: -17.197
flat angles P-C4'-P energy: -12.093
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: 3, replica: 10
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -215.777494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.777494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.777494 (E_RNA)
where:
Base-Base interactions energy: -136.902
where: short stacking energy: -70.296
Base-Backbone interact. energy: -0.035
local terms energy: -78.840925
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -16.978
flat angles P-C4'-P energy: -10.991
tors. eta vs tors. theta energy: -23.379
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: 8
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -206.224244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.224244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.224244 (E_RNA)
where:
Base-Base interactions energy: -129.317
where: short stacking energy: -64.976
Base-Backbone interact. energy: -0.869
local terms energy: -76.038645
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -18.859
flat angles C4'-P-C4' energy: -15.638
flat angles P-C4'-P energy: -8.279
tors. eta vs tors. theta energy: -17.029
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: 422
Temperature: 1.100000
Total energy: -151.929769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.929769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.929769 (E_RNA)
where:
Base-Base interactions energy: -90.388
where: short stacking energy: -47.663
Base-Backbone interact. energy: -0.294
local terms energy: -61.247549
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -16.207
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -5.253
tors. eta vs tors. theta energy: -10.611
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: 422
Temperature: 1.150000
Total energy: -100.485397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.485397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.485397 (E_RNA)
where:
Base-Base interactions energy: -53.968
where: short stacking energy: -22.462
Base-Backbone interact. energy: -0.721
local terms energy: -45.796908
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -12.164
flat angles C4'-P-C4' energy: -11.349
flat angles P-C4'-P energy: -9.717
tors. eta vs tors. theta energy: -0.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -122.927845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.927845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.927845 (E_RNA)
where:
Base-Base interactions energy: -61.618
where: short stacking energy: -32.351
Base-Backbone interact. energy: -0.208
local terms energy: -61.102041
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -16.966
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: -4.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -84.456054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.456054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.456054 (E_RNA)
where:
Base-Base interactions energy: -38.194
where: short stacking energy: -28.608
Base-Backbone interact. energy: -0.852
local terms energy: -45.409973
where:
bonds (distance) C4'-P energy: -12.982
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -11.040
flat angles P-C4'-P energy: -10.015
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: 1
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -89.709164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.709164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.709164 (E_RNA)
where:
Base-Base interactions energy: -42.161
where: short stacking energy: -27.497
Base-Backbone interact. energy: -0.105
local terms energy: -47.443490
where:
bonds (distance) C4'-P energy: -9.143
bonds (distance) P-C4' energy: -16.281
flat angles C4'-P-C4' energy: -12.876
flat angles P-C4'-P energy: -7.620
tors. eta vs tors. theta energy: -1.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -77.812538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.812538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.812538 (E_RNA)
where:
Base-Base interactions energy: -32.320
where: short stacking energy: -28.116
Base-Backbone interact. energy: -0.248
local terms energy: -45.244288
where:
bonds (distance) C4'-P energy: -12.276
bonds (distance) P-C4' energy: -12.492
flat angles C4'-P-C4' energy: -8.385
flat angles P-C4'-P energy: -7.948
tors. eta vs tors. theta energy: -4.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -225.962893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.962893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.962893 (E_RNA)
where:
Base-Base interactions energy: -149.541
where: short stacking energy: -72.356
Base-Backbone interact. energy: -0.059
local terms energy: -76.362996
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -8.540
tors. eta vs tors. theta energy: -21.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -207.910865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.910865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.910865 (E_RNA)
where:
Base-Base interactions energy: -132.858
where: short stacking energy: -69.599
Base-Backbone interact. energy: -0.182
local terms energy: -74.871105
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -13.045
flat angles C4'-P-C4' energy: -16.266
flat angles P-C4'-P energy: -13.139
tors. eta vs tors. theta energy: -18.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -211.851348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.851348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.851348 (E_RNA)
where:
Base-Base interactions energy: -133.853
where: short stacking energy: -70.501
Base-Backbone interact. energy: -0.024
local terms energy: -77.974928
where:
bonds (distance) C4'-P energy: -16.910
bonds (distance) P-C4' energy: -11.824
flat angles C4'-P-C4' energy: -17.465
flat angles P-C4'-P energy: -11.952
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: 8
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -206.571131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.571131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.571131 (E_RNA)
where:
Base-Base interactions energy: -136.771
where: short stacking energy: -68.048
Base-Backbone interact. energy: -0.001
local terms energy: -69.799174
where:
bonds (distance) C4'-P energy: -11.155
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: -18.309
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: 2
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -156.768071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.768071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.768071 (E_RNA)
where:
Base-Base interactions energy: -101.925
where: short stacking energy: -48.882
Base-Backbone interact. energy: 0.439
local terms energy: -55.281927
where:
bonds (distance) C4'-P energy: -13.334
bonds (distance) P-C4' energy: -10.973
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -6.015
tors. eta vs tors. theta energy: -10.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -143.243812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.243812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.243812 (E_RNA)
where:
Base-Base interactions energy: -75.328
where: short stacking energy: -44.301
Base-Backbone interact. energy: -0.227
local terms energy: -67.689219
where:
bonds (distance) C4'-P energy: -15.919
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -18.055
flat angles P-C4'-P energy: -8.641
tors. eta vs tors. theta energy: -10.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -97.633433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.633433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.633433 (E_RNA)
where:
Base-Base interactions energy: -46.227
where: short stacking energy: -32.419
Base-Backbone interact. energy: -1.031
local terms energy: -50.375657
where:
bonds (distance) C4'-P energy: -15.263
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -3.648
tors. eta vs tors. theta energy: -0.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -91.578776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.578776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.578776 (E_RNA)
where:
Base-Base interactions energy: -46.642
where: short stacking energy: -14.197
Base-Backbone interact. energy: 0.694
local terms energy: -45.630971
where:
bonds (distance) C4'-P energy: -16.099
bonds (distance) P-C4' energy: -11.550
flat angles C4'-P-C4' energy: -10.235
flat angles P-C4'-P energy: -11.551
tors. eta vs tors. theta energy: 3.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -73.858618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.858618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.858618 (E_RNA)
where:
Base-Base interactions energy: -22.207
where: short stacking energy: -22.298
Base-Backbone interact. energy: -0.188
local terms energy: -51.463152
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -12.401
flat angles P-C4'-P energy: -6.245
tors. eta vs tors. theta energy: -3.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -71.863490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.863490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.863490 (E_RNA)
where:
Base-Base interactions energy: -28.199
where: short stacking energy: -28.199
Base-Backbone interact. energy: 1.005
local terms energy: -44.669399
where:
bonds (distance) C4'-P energy: -7.925
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -13.203
flat angles P-C4'-P energy: -8.328
tors. eta vs tors. theta energy: -1.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -227.892361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.892361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.892361 (E_RNA)
where:
Base-Base interactions energy: -151.000
where: short stacking energy: -74.347
Base-Backbone interact. energy: -0.073
local terms energy: -76.819562
where:
bonds (distance) C4'-P energy: -14.793
bonds (distance) P-C4' energy: -12.632
flat angles C4'-P-C4' energy: -17.653
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: -22.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -214.076671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.076671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.076671 (E_RNA)
where:
Base-Base interactions energy: -138.772
where: short stacking energy: -69.010
Base-Backbone interact. energy: -0.989
local terms energy: -74.315986
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -17.608
flat angles C4'-P-C4' energy: -16.137
flat angles P-C4'-P energy: -10.832
tors. eta vs tors. theta energy: -16.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -218.400065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.400065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.400065 (E_RNA)
where:
Base-Base interactions energy: -138.667
where: short stacking energy: -67.537
Base-Backbone interact. energy: -0.041
local terms energy: -79.692215
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -13.630
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: -21.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -208.090582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.090582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.090582 (E_RNA)
where:
Base-Base interactions energy: -135.425
where: short stacking energy: -72.679
Base-Backbone interact. energy: -0.041
local terms energy: -72.624768
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -10.843
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: 5, replica: 2
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -155.201541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.201541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.201541 (E_RNA)
where:
Base-Base interactions energy: -91.624
where: short stacking energy: -35.745
Base-Backbone interact. energy: -0.083
local terms energy: -63.494739
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -9.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -132.145471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.145471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.145471 (E_RNA)
where:
Base-Base interactions energy: -80.546
where: short stacking energy: -49.734
Base-Backbone interact. energy: -0.076
local terms energy: -51.523157
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -12.603
flat angles C4'-P-C4' energy: -10.674
flat angles P-C4'-P energy: -7.954
tors. eta vs tors. theta energy: -6.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -103.211416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.211416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.211416 (E_RNA)
where:
Base-Base interactions energy: -47.721
where: short stacking energy: -35.677
Base-Backbone interact. energy: -0.191
local terms energy: -55.299260
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -14.704
flat angles C4'-P-C4' energy: -10.631
flat angles P-C4'-P energy: -9.488
tors. eta vs tors. theta energy: -6.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -89.035779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.035779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.035779 (E_RNA)
where:
Base-Base interactions energy: -34.325
where: short stacking energy: -34.325
Base-Backbone interact. energy: -0.128
local terms energy: -54.582509
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -13.056
flat angles P-C4'-P energy: -7.459
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: 9, replica: 7
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -78.501567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.501567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.501567 (E_RNA)
where:
Base-Base interactions energy: -32.261
where: short stacking energy: -29.077
Base-Backbone interact. energy: 3.897
local terms energy: -50.137745
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -13.866
flat angles C4'-P-C4' energy: -11.597
flat angles P-C4'-P energy: -8.417
tors. eta vs tors. theta energy: -3.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -72.445757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.445757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.445757 (E_RNA)
where:
Base-Base interactions energy: -24.255
where: short stacking energy: -12.508
Base-Backbone interact. energy: -0.894
local terms energy: -47.296377
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -11.792
flat angles C4'-P-C4' energy: -10.716
flat angles P-C4'-P energy: -8.513
tors. eta vs tors. theta energy: -1.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -221.830265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.830265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.830265 (E_RNA)
where:
Base-Base interactions energy: -137.896
where: short stacking energy: -73.795
Base-Backbone interact. energy: -0.010
local terms energy: -83.924819
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -18.221
flat angles P-C4'-P energy: -12.392
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: 2, replica: 10
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -212.746145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.746145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.746145 (E_RNA)
where:
Base-Base interactions energy: -137.805
where: short stacking energy: -64.772
Base-Backbone interact. energy: -0.099
local terms energy: -74.842811
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -16.034
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -17.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -209.576395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.576395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.576395 (E_RNA)
where:
Base-Base interactions energy: -131.096
where: short stacking energy: -65.644
Base-Backbone interact. energy: -0.001
local terms energy: -78.478762
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -15.841
flat angles P-C4'-P energy: -11.113
tors. eta vs tors. theta energy: -19.413
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: 8
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -196.475347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.475347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.475347 (E_RNA)
where:
Base-Base interactions energy: -123.997
where: short stacking energy: -57.698
Base-Backbone interact. energy: -0.117
local terms energy: -72.361703
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -15.088
flat angles C4'-P-C4' energy: -16.105
flat angles P-C4'-P energy: -9.442
tors. eta vs tors. theta energy: -19.533
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: 2
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -155.748034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.748034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.748034 (E_RNA)
where:
Base-Base interactions energy: -94.106
where: short stacking energy: -39.308
Base-Backbone interact. energy: 0.512
local terms energy: -62.153650
where:
bonds (distance) C4'-P energy: -16.059
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -11.866
flat angles P-C4'-P energy: -9.533
tors. eta vs tors. theta energy: -8.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -140.942991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.942991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.942991 (E_RNA)
where:
Base-Base interactions energy: -86.485
where: short stacking energy: -43.064
Base-Backbone interact. energy: -0.020
local terms energy: -54.437600
where:
bonds (distance) C4'-P energy: -14.079
bonds (distance) P-C4' energy: -10.284
flat angles C4'-P-C4' energy: -14.094
flat angles P-C4'-P energy: -11.416
tors. eta vs tors. theta energy: -4.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -85.702269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.702269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.702269 (E_RNA)
where:
Base-Base interactions energy: -32.238
where: short stacking energy: -20.594
Base-Backbone interact. energy: 0.066
local terms energy: -53.530484
where:
bonds (distance) C4'-P energy: -11.015
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -13.885
flat angles P-C4'-P energy: -10.827
tors. eta vs tors. theta energy: -5.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -86.950422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.950422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.950422 (E_RNA)
where:
Base-Base interactions energy: -35.732
where: short stacking energy: -19.228
Base-Backbone interact. energy: -0.194
local terms energy: -51.024291
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -11.608
flat angles P-C4'-P energy: -10.147
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: 9, replica: 7
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -82.973189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.973189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.973189 (E_RNA)
where:
Base-Base interactions energy: -21.887
where: short stacking energy: -21.822
Base-Backbone interact. energy: -0.085
local terms energy: -61.001355
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -15.279
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -12.103
tors. eta vs tors. theta energy: -4.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -82.684235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.684235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.684235 (E_RNA)
where:
Base-Base interactions energy: -32.767
where: short stacking energy: -32.290
Base-Backbone interact. energy: -0.237
local terms energy: -49.679561
where:
bonds (distance) C4'-P energy: -11.279
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -10.426
flat angles P-C4'-P energy: -5.765
tors. eta vs tors. theta energy: -6.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -219.410905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.410905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.410905 (E_RNA)
where:
Base-Base interactions energy: -141.967
where: short stacking energy: -71.004
Base-Backbone interact. energy: -0.712
local terms energy: -76.731577
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -10.768
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -14.064
tors. eta vs tors. theta energy: -21.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -217.757993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.757993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.757993 (E_RNA)
where:
Base-Base interactions energy: -140.298
where: short stacking energy: -73.381
Base-Backbone interact. energy: 0.271
local terms energy: -77.730606
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -15.837
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -9.604
tors. eta vs tors. theta energy: -22.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -202.786472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.786472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.786472 (E_RNA)
where:
Base-Base interactions energy: -130.120
where: short stacking energy: -55.989
Base-Backbone interact. energy: -0.606
local terms energy: -72.060638
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -17.606
flat angles P-C4'-P energy: -9.020
tors. eta vs tors. theta energy: -17.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -217.888291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.888291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.888291 (E_RNA)
where:
Base-Base interactions energy: -141.567
where: short stacking energy: -73.752
Base-Backbone interact. energy: -0.033
local terms energy: -76.288583
where:
bonds (distance) C4'-P energy: -13.717
bonds (distance) P-C4' energy: -13.838
flat angles C4'-P-C4' energy: -16.234
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: -21.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -135.240711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.240711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.240711 (E_RNA)
where:
Base-Base interactions energy: -76.306
where: short stacking energy: -40.224
Base-Backbone interact. energy: -0.327
local terms energy: -58.608328
where:
bonds (distance) C4'-P energy: -10.994
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -14.019
flat angles P-C4'-P energy: -7.726
tors. eta vs tors. theta energy: -11.577
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: 2
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -148.773652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.773652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.773652 (E_RNA)
where:
Base-Base interactions energy: -78.476
where: short stacking energy: -47.445
Base-Backbone interact. energy: -0.052
local terms energy: -70.246047
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -11.707
flat angles C4'-P-C4' energy: -17.580
flat angles P-C4'-P energy: -11.044
tors. eta vs tors. theta energy: -14.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -94.613792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.613792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.613792 (E_RNA)
where:
Base-Base interactions energy: -38.512
where: short stacking energy: -27.427
Base-Backbone interact. energy: 0.244
local terms energy: -56.346100
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -13.159
flat angles P-C4'-P energy: -9.758
tors. eta vs tors. theta energy: -3.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -87.335582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.335582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.335582 (E_RNA)
where:
Base-Base interactions energy: -36.473
where: short stacking energy: -36.390
Base-Backbone interact. energy: -0.090
local terms energy: -50.773343
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -11.531
flat angles C4'-P-C4' energy: -9.593
flat angles P-C4'-P energy: -9.487
tors. eta vs tors. theta energy: -5.691
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: 9, replica: 9
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -84.062768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.062768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.062768 (E_RNA)
where:
Base-Base interactions energy: -35.639
where: short stacking energy: -33.945
Base-Backbone interact. energy: -0.010
local terms energy: -48.414422
where:
bonds (distance) C4'-P energy: -9.784
bonds (distance) P-C4' energy: -13.062
flat angles C4'-P-C4' energy: -10.225
flat angles P-C4'-P energy: -9.911
tors. eta vs tors. theta energy: -5.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -89.084856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.084856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.084856 (E_RNA)
where:
Base-Base interactions energy: -48.023
where: short stacking energy: -25.193
Base-Backbone interact. energy: -0.005
local terms energy: -41.057024
where:
bonds (distance) C4'-P energy: -9.060
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -13.137
flat angles P-C4'-P energy: -2.551
tors. eta vs tors. theta energy: -2.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -216.846400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.846400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.846400 (E_RNA)
where:
Base-Base interactions energy: -138.242
where: short stacking energy: -70.369
Base-Backbone interact. energy: -0.129
local terms energy: -78.475103
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -15.152
flat angles P-C4'-P energy: -13.340
tors. eta vs tors. theta energy: -20.376
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: 8
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -214.133269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.133269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.133269 (E_RNA)
where:
Base-Base interactions energy: -135.380
where: short stacking energy: -68.247
Base-Backbone interact. energy: -0.965
local terms energy: -77.788065
where:
bonds (distance) C4'-P energy: -13.541
bonds (distance) P-C4' energy: -16.934
flat angles C4'-P-C4' energy: -17.137
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -19.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -211.129155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.129155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.129155 (E_RNA)
where:
Base-Base interactions energy: -133.293
where: short stacking energy: -66.346
Base-Backbone interact. energy: 0.172
local terms energy: -78.007512
where:
bonds (distance) C4'-P energy: -17.560
bonds (distance) P-C4' energy: -15.633
flat angles C4'-P-C4' energy: -14.300
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: -20.691
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: 4
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -192.447486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.447486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.447486 (E_RNA)
where:
Base-Base interactions energy: -119.567
where: short stacking energy: -65.927
Base-Backbone interact. energy: -0.233
local terms energy: -72.646684
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -10.339
tors. eta vs tors. theta energy: -19.142
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: 5, replica: 5
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -154.942865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.942865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.942865 (E_RNA)
where:
Base-Base interactions energy: -87.256
where: short stacking energy: -50.742
Base-Backbone interact. energy: -0.177
local terms energy: -67.509500
where:
bonds (distance) C4'-P energy: -17.116
bonds (distance) P-C4' energy: -12.746
flat angles C4'-P-C4' energy: -16.028
flat angles P-C4'-P energy: -10.334
tors. eta vs tors. theta energy: -11.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -177.912229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.912229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.912229 (E_RNA)
where:
Base-Base interactions energy: -116.416
where: short stacking energy: -59.942
Base-Backbone interact. energy: -0.124
local terms energy: -61.372450
where:
bonds (distance) C4'-P energy: -10.654
bonds (distance) P-C4' energy: -13.579
flat angles C4'-P-C4' energy: -11.602
flat angles P-C4'-P energy: -10.664
tors. eta vs tors. theta energy: -14.874
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: 3
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -96.887169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.887169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.887169 (E_RNA)
where:
Base-Base interactions energy: -43.863
where: short stacking energy: -34.052
Base-Backbone interact. energy: -0.074
local terms energy: -52.950413
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -13.372
flat angles C4'-P-C4' energy: -7.816
flat angles P-C4'-P energy: -8.209
tors. eta vs tors. theta energy: -7.978
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: 9
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -130.652088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.652088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.652088 (E_RNA)
where:
Base-Base interactions energy: -71.982
where: short stacking energy: -35.525
Base-Backbone interact. energy: 1.257
local terms energy: -59.926748
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -12.698
flat angles P-C4'-P energy: -10.410
tors. eta vs tors. theta energy: -6.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -79.651151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.651151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.651151 (E_RNA)
where:
Base-Base interactions energy: -32.328
where: short stacking energy: -20.260
Base-Backbone interact. energy: -0.244
local terms energy: -47.079133
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -8.424
flat angles P-C4'-P energy: -4.235
tors. eta vs tors. theta energy: -4.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -77.139533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.139533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.139533 (E_RNA)
where:
Base-Base interactions energy: -31.592
where: short stacking energy: -31.592
Base-Backbone interact. energy: -0.023
local terms energy: -45.524349
where:
bonds (distance) C4'-P energy: -7.072
bonds (distance) P-C4' energy: -16.267
flat angles C4'-P-C4' energy: -12.861
flat angles P-C4'-P energy: -3.610
tors. eta vs tors. theta energy: -5.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -224.222447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.222447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.222447 (E_RNA)
where:
Base-Base interactions energy: -137.097
where: short stacking energy: -72.235
Base-Backbone interact. energy: -0.038
local terms energy: -87.087341
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -18.334
flat angles C4'-P-C4' energy: -16.161
flat angles P-C4'-P energy: -12.140
tors. eta vs tors. theta energy: -22.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -204.848634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.848634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.848634 (E_RNA)
where:
Base-Base interactions energy: -127.555
where: short stacking energy: -63.824
Base-Backbone interact. energy: -0.006
local terms energy: -77.286871
where:
bonds (distance) C4'-P energy: -17.335
bonds (distance) P-C4' energy: -14.589
flat angles C4'-P-C4' energy: -14.632
flat angles P-C4'-P energy: -12.909
tors. eta vs tors. theta energy: -17.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -205.380824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.380824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.380824 (E_RNA)
where:
Base-Base interactions energy: -131.165
where: short stacking energy: -68.354
Base-Backbone interact. energy: -0.325
local terms energy: -73.891187
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -11.341
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -12.668
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: 4, replica: 6
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -194.280033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.280033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.280033 (E_RNA)
where:
Base-Base interactions energy: -119.309
where: short stacking energy: -61.007
Base-Backbone interact. energy: -0.008
local terms energy: -74.963336
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -16.243
flat angles P-C4'-P energy: -10.713
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: 5, replica: 2
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -178.892717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.892717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.892717 (E_RNA)
where:
Base-Base interactions energy: -113.044
where: short stacking energy: -55.852
Base-Backbone interact. energy: -0.087
local terms energy: -65.760886
where:
bonds (distance) C4'-P energy: -10.608
bonds (distance) P-C4' energy: -17.613
flat angles C4'-P-C4' energy: -11.800
flat angles P-C4'-P energy: -6.521
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: 6, replica: 5
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -152.212462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.212462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.212462 (E_RNA)
where:
Base-Base interactions energy: -96.722
where: short stacking energy: -45.626
Base-Backbone interact. energy: -0.081
local terms energy: -55.409637
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -10.359
flat angles C4'-P-C4' energy: -11.877
flat angles P-C4'-P energy: -8.498
tors. eta vs tors. theta energy: -8.440
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: 9
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -144.694618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.694618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.694618 (E_RNA)
where:
Base-Base interactions energy: -89.411
where: short stacking energy: -46.545
Base-Backbone interact. energy: -0.169
local terms energy: -55.113736
where:
bonds (distance) C4'-P energy: -14.536
bonds (distance) P-C4' energy: -11.827
flat angles C4'-P-C4' energy: -10.361
flat angles P-C4'-P energy: -8.392
tors. eta vs tors. theta energy: -9.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -88.204838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.204838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.204838 (E_RNA)
where:
Base-Base interactions energy: -41.474
where: short stacking energy: -24.010
Base-Backbone interact. energy: -0.084
local terms energy: -46.647305
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -9.121
flat angles P-C4'-P energy: -5.880
tors. eta vs tors. theta energy: -0.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -84.113949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.113949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.113949 (E_RNA)
where:
Base-Base interactions energy: -35.743
where: short stacking energy: -31.317
Base-Backbone interact. energy: -0.563
local terms energy: -47.808085
where:
bonds (distance) C4'-P energy: -7.536
bonds (distance) P-C4' energy: -15.538
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -4.997
tors. eta vs tors. theta energy: -3.739
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: 7
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -86.905286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.905286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.905286 (E_RNA)
where:
Base-Base interactions energy: -33.894
where: short stacking energy: -27.765
Base-Backbone interact. energy: -0.216
local terms energy: -52.795476
where:
bonds (distance) C4'-P energy: -14.551
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -9.185
flat angles P-C4'-P energy: -4.688
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: 1, replica: 8
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -217.488789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.488789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.488789 (E_RNA)
where:
Base-Base interactions energy: -135.851
where: short stacking energy: -69.905
Base-Backbone interact. energy: -0.058
local terms energy: -81.579573
where:
bonds (distance) C4'-P energy: -17.399
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -16.393
flat angles P-C4'-P energy: -10.999
tors. eta vs tors. theta energy: -21.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -223.585391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.585391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.585391 (E_RNA)
where:
Base-Base interactions energy: -144.654
where: short stacking energy: -72.717
Base-Backbone interact. energy: -0.036
local terms energy: -78.895726
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -18.011
flat angles P-C4'-P energy: -13.968
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: 3, replica: 10
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -216.568184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.568184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.568184 (E_RNA)
where:
Base-Base interactions energy: -145.519
where: short stacking energy: -76.560
Base-Backbone interact. energy: -0.022
local terms energy: -71.027579
where:
bonds (distance) C4'-P energy: -6.789
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -13.524
flat angles P-C4'-P energy: -12.422
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: 2
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -200.804326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.804326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.804326 (E_RNA)
where:
Base-Base interactions energy: -122.948
where: short stacking energy: -63.308
Base-Backbone interact. energy: -0.574
local terms energy: -77.282438
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -16.022
flat angles C4'-P-C4' energy: -14.610
flat angles P-C4'-P energy: -10.698
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: 5, replica: 6
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -196.945431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.945431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.945431 (E_RNA)
where:
Base-Base interactions energy: -118.956
where: short stacking energy: -62.472
Base-Backbone interact. energy: -0.086
local terms energy: -77.903373
where:
bonds (distance) C4'-P energy: -17.609
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -17.183
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -17.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -122.763262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.763262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.763262 (E_RNA)
where:
Base-Base interactions energy: -61.418
where: short stacking energy: -39.245
Base-Backbone interact. energy: -0.093
local terms energy: -61.252831
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -10.123
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: -11.143
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: 5
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -162.255997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.255997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.255997 (E_RNA)
where:
Base-Base interactions energy: -110.020
where: short stacking energy: -44.802
Base-Backbone interact. energy: -0.875
local terms energy: -51.360542
where:
bonds (distance) C4'-P energy: -9.926
bonds (distance) P-C4' energy: -13.552
flat angles C4'-P-C4' energy: -11.575
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: -6.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -88.619509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.619509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.619509 (E_RNA)
where:
Base-Base interactions energy: -38.640
where: short stacking energy: -19.542
Base-Backbone interact. energy: -0.085
local terms energy: -49.894000
where:
bonds (distance) C4'-P energy: -13.458
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -9.621
flat angles P-C4'-P energy: -6.420
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: 3
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -80.743276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.743276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.743276 (E_RNA)
where:
Base-Base interactions energy: -32.795
where: short stacking energy: -29.299
Base-Backbone interact. energy: 0.015
local terms energy: -47.963250
where:
bonds (distance) C4'-P energy: -11.433
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -12.164
flat angles P-C4'-P energy: -7.220
tors. eta vs tors. theta energy: -2.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -82.461423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.461423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.461423 (E_RNA)
where:
Base-Base interactions energy: -30.593
where: short stacking energy: -29.918
Base-Backbone interact. energy: -0.031
local terms energy: -51.838130
where:
bonds (distance) C4'-P energy: -7.809
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -7.579
flat angles P-C4'-P energy: -12.261
tors. eta vs tors. theta energy: -7.451
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: 430
Temperature: 0.900000
Total energy: -218.420721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.420721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.420721 (E_RNA)
where:
Base-Base interactions energy: -145.393
where: short stacking energy: -66.816
Base-Backbone interact. energy: -0.034
local terms energy: -72.993230
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -13.029
flat angles C4'-P-C4' energy: -14.817
flat angles P-C4'-P energy: -10.218
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: 8
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -199.480116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.480116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.480116 (E_RNA)
where:
Base-Base interactions energy: -124.962
where: short stacking energy: -70.373
Base-Backbone interact. energy: -0.027
local terms energy: -74.490515
where:
bonds (distance) C4'-P energy: -14.126
bonds (distance) P-C4' energy: -14.490
flat angles C4'-P-C4' energy: -16.384
flat angles P-C4'-P energy: -11.379
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: 10
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -205.653070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.653070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.653070 (E_RNA)
where:
Base-Base interactions energy: -133.766
where: short stacking energy: -67.921
Base-Backbone interact. energy: -0.004
local terms energy: -71.883091
where:
bonds (distance) C4'-P energy: -14.056
bonds (distance) P-C4' energy: -12.047
flat angles C4'-P-C4' energy: -16.445
flat angles P-C4'-P energy: -8.405
tors. eta vs tors. theta energy: -20.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -206.628290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.628290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.628290 (E_RNA)
where:
Base-Base interactions energy: -136.689
where: short stacking energy: -69.180
Base-Backbone interact. energy: -0.002
local terms energy: -69.936845
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -12.739
flat angles C4'-P-C4' energy: -17.826
flat angles P-C4'-P energy: -8.141
tors. eta vs tors. theta energy: -18.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -187.513721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.513721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.513721 (E_RNA)
where:
Base-Base interactions energy: -132.734
where: short stacking energy: -55.070
Base-Backbone interact. energy: -0.047
local terms energy: -54.732885
where:
bonds (distance) C4'-P energy: -10.110
bonds (distance) P-C4' energy: -10.327
flat angles C4'-P-C4' energy: -9.805
flat angles P-C4'-P energy: -11.688
tors. eta vs tors. theta energy: -12.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -117.752595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.752595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.752595 (E_RNA)
where:
Base-Base interactions energy: -64.471
where: short stacking energy: -43.795
Base-Backbone interact. energy: -0.362
local terms energy: -52.919183
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -9.753
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: -6.342
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: 5
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -132.246056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.246056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.246056 (E_RNA)
where:
Base-Base interactions energy: -71.777
where: short stacking energy: -33.088
Base-Backbone interact. energy: -0.273
local terms energy: -60.196783
where:
bonds (distance) C4'-P energy: -11.491
bonds (distance) P-C4' energy: -12.506
flat angles C4'-P-C4' energy: -15.433
flat angles P-C4'-P energy: -13.900
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: 1
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -94.312711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.312711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.312711 (E_RNA)
where:
Base-Base interactions energy: -36.166
where: short stacking energy: -34.684
Base-Backbone interact. energy: -0.008
local terms energy: -58.138871
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -13.006
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -6.474
tors. eta vs tors. theta energy: -6.830
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: 9, replica: 7
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -84.663674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.663674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.663674 (E_RNA)
where:
Base-Base interactions energy: -36.126
where: short stacking energy: -33.261
Base-Backbone interact. energy: -0.035
local terms energy: -48.502823
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -11.003
flat angles P-C4'-P energy: -1.436
tors. eta vs tors. theta energy: -8.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -81.078797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.078797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.078797 (E_RNA)
where:
Base-Base interactions energy: -28.831
where: short stacking energy: -26.231
Base-Backbone interact. energy: -0.211
local terms energy: -52.037103
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -13.437
flat angles P-C4'-P energy: -7.740
tors. eta vs tors. theta energy: -3.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -219.493203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.493203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.493203 (E_RNA)
where:
Base-Base interactions energy: -143.545
where: short stacking energy: -74.145
Base-Backbone interact. energy: -0.071
local terms energy: -75.876823
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -12.689
flat angles C4'-P-C4' energy: -18.513
flat angles P-C4'-P energy: -10.905
tors. eta vs tors. theta energy: -19.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -210.104687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.104687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.104687 (E_RNA)
where:
Base-Base interactions energy: -135.081
where: short stacking energy: -72.671
Base-Backbone interact. energy: -0.006
local terms energy: -75.017687
where:
bonds (distance) C4'-P energy: -11.446
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -13.516
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -22.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -192.442147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.442147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.442147 (E_RNA)
where:
Base-Base interactions energy: -125.821
where: short stacking energy: -68.293
Base-Backbone interact. energy: -0.001
local terms energy: -66.619887
where:
bonds (distance) C4'-P energy: -11.216
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -13.393
flat angles P-C4'-P energy: -12.350
tors. eta vs tors. theta energy: -13.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -212.915470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.915470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.915470 (E_RNA)
where:
Base-Base interactions energy: -136.437
where: short stacking energy: -71.628
Base-Backbone interact. energy: 1.102
local terms energy: -77.580325
where:
bonds (distance) C4'-P energy: -11.720
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -13.054
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: 5, replica: 2
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -187.648856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.648856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.648856 (E_RNA)
where:
Base-Base interactions energy: -115.969
where: short stacking energy: -59.531
Base-Backbone interact. energy: -0.042
local terms energy: -71.638338
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -11.609
flat angles P-C4'-P energy: -12.735
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: 6, replica: 9
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -94.565542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.565542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.565542 (E_RNA)
where:
Base-Base interactions energy: -40.220
where: short stacking energy: -34.146
Base-Backbone interact. energy: -1.233
local terms energy: -53.112603
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -12.919
flat angles P-C4'-P energy: -7.964
tors. eta vs tors. theta energy: -3.539
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: 431
Temperature: 1.200000
Total energy: -125.786961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.786961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.786961 (E_RNA)
where:
Base-Base interactions energy: -75.691
where: short stacking energy: -33.061
Base-Backbone interact. energy: -0.412
local terms energy: -49.684531
where:
bonds (distance) C4'-P energy: -9.507
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -13.345
flat angles P-C4'-P energy: -6.704
tors. eta vs tors. theta energy: -3.960
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: 7
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -86.473267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.473267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.473267 (E_RNA)
where:
Base-Base interactions energy: -27.961
where: short stacking energy: -27.961
Base-Backbone interact. energy: -0.236
local terms energy: -58.276519
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -9.551
tors. eta vs tors. theta energy: -5.601
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: 431
Temperature: 1.300000
Total energy: -82.026321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.026321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.026321 (E_RNA)
where:
Base-Base interactions energy: -31.795
where: short stacking energy: -31.795
Base-Backbone interact. energy: -0.458
local terms energy: -49.773280
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -11.317
flat angles P-C4'-P energy: -6.786
tors. eta vs tors. theta energy: -2.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -72.506731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.506731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.506731 (E_RNA)
where:
Base-Base interactions energy: -29.448
where: short stacking energy: -25.730
Base-Backbone interact. energy: 1.278
local terms energy: -44.336546
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -11.759
flat angles C4'-P-C4' energy: -12.313
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: 2.328
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: 10
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -223.835273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.835273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.835273 (E_RNA)
where:
Base-Base interactions energy: -140.638
where: short stacking energy: -74.781
Base-Backbone interact. energy: -0.044
local terms energy: -83.153387
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -16.354
flat angles P-C4'-P energy: -11.361
tors. eta vs tors. theta energy: -23.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -221.130778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.130778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.130778 (E_RNA)
where:
Base-Base interactions energy: -142.961
where: short stacking energy: -64.652
Base-Backbone interact. energy: -0.141
local terms energy: -78.029500
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -12.339
flat angles C4'-P-C4' energy: -17.013
flat angles P-C4'-P energy: -13.258
tors. eta vs tors. theta energy: -20.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -198.283895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.283895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.283895 (E_RNA)
where:
Base-Base interactions energy: -128.079
where: short stacking energy: -58.917
Base-Backbone interact. energy: -1.355
local terms energy: -68.849611
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -16.687
flat angles P-C4'-P energy: -12.146
tors. eta vs tors. theta energy: -13.483
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: 432
Temperature: 1.050000
Total energy: -186.538506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.538506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.538506 (E_RNA)
where:
Base-Base interactions energy: -121.230
where: short stacking energy: -68.202
Base-Backbone interact. energy: 0.017
local terms energy: -65.325061
where:
bonds (distance) C4'-P energy: -7.794
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -7.970
tors. eta vs tors. theta energy: -19.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -137.551420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.551420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.551420 (E_RNA)
where:
Base-Base interactions energy: -80.206
where: short stacking energy: -41.032
Base-Backbone interact. energy: -0.156
local terms energy: -57.189481
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -18.236
flat angles C4'-P-C4' energy: -14.705
flat angles P-C4'-P energy: -7.044
tors. eta vs tors. theta energy: -2.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -90.488883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.488883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.488883 (E_RNA)
where:
Base-Base interactions energy: -40.557
where: short stacking energy: -31.014
Base-Backbone interact. energy: 0.390
local terms energy: -50.322503
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -11.055
flat angles P-C4'-P energy: -9.346
tors. eta vs tors. theta energy: 0.464
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: 5
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -120.884126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.884126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.884126 (E_RNA)
where:
Base-Base interactions energy: -73.301
where: short stacking energy: -36.873
Base-Backbone interact. energy: 1.097
local terms energy: -48.679374
where:
bonds (distance) C4'-P energy: -7.286
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -9.355
flat angles P-C4'-P energy: -11.990
tors. eta vs tors. theta energy: -3.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -85.521153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.521153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.521153 (E_RNA)
where:
Base-Base interactions energy: -32.184
where: short stacking energy: -26.894
Base-Backbone interact. energy: -0.248
local terms energy: -53.088793
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -14.544
flat angles C4'-P-C4' energy: -10.697
flat angles P-C4'-P energy: -12.293
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: 9, replica: 3
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -85.627810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.627810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.627810 (E_RNA)
where:
Base-Base interactions energy: -29.586
where: short stacking energy: -29.586
Base-Backbone interact. energy: -0.152
local terms energy: -55.889516
where:
bonds (distance) C4'-P energy: -10.989
bonds (distance) P-C4' energy: -15.831
flat angles C4'-P-C4' energy: -13.208
flat angles P-C4'-P energy: -9.369
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: 10, replica: 1
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -72.622926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.622926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.622926 (E_RNA)
where:
Base-Base interactions energy: -28.691
where: short stacking energy: -24.906
Base-Backbone interact. energy: -0.831
local terms energy: -43.100756
where:
bonds (distance) C4'-P energy: -11.316
bonds (distance) P-C4' energy: -11.075
flat angles C4'-P-C4' energy: -11.264
flat angles P-C4'-P energy: -4.388
tors. eta vs tors. theta energy: -5.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -227.485126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.485126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.485126 (E_RNA)
where:
Base-Base interactions energy: -146.267
where: short stacking energy: -74.828
Base-Backbone interact. energy: -0.050
local terms energy: -81.168137
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -17.109
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: -23.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -220.083321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.083321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.083321 (E_RNA)
where:
Base-Base interactions energy: -139.014
where: short stacking energy: -70.093
Base-Backbone interact. energy: -0.075
local terms energy: -80.993992
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -16.052
flat angles P-C4'-P energy: -14.509
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: 3, replica: 4
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -214.464864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.464864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.464864 (E_RNA)
where:
Base-Base interactions energy: -138.313
where: short stacking energy: -68.014
Base-Backbone interact. energy: -0.005
local terms energy: -76.147222
where:
bonds (distance) C4'-P energy: -11.809
bonds (distance) P-C4' energy: -12.547
flat angles C4'-P-C4' energy: -17.592
flat angles P-C4'-P energy: -15.243
tors. eta vs tors. theta energy: -18.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -198.391610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.391610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.391610 (E_RNA)
where:
Base-Base interactions energy: -126.650
where: short stacking energy: -65.193
Base-Backbone interact. energy: -0.000
local terms energy: -71.740825
where:
bonds (distance) C4'-P energy: -10.539
bonds (distance) P-C4' energy: -12.098
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -13.218
tors. eta vs tors. theta energy: -21.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -182.695645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.695645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.695645 (E_RNA)
where:
Base-Base interactions energy: -116.336
where: short stacking energy: -56.835
Base-Backbone interact. energy: -0.006
local terms energy: -66.354229
where:
bonds (distance) C4'-P energy: -9.164
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -15.256
flat angles P-C4'-P energy: -13.105
tors. eta vs tors. theta energy: -13.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -136.817240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.817240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.817240 (E_RNA)
where:
Base-Base interactions energy: -74.564
where: short stacking energy: -45.702
Base-Backbone interact. energy: -0.040
local terms energy: -62.212828
where:
bonds (distance) C4'-P energy: -11.719
bonds (distance) P-C4' energy: -14.548
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: -10.737
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: 7, replica: 9
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -122.439315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.439315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.439315 (E_RNA)
where:
Base-Base interactions energy: -72.141
where: short stacking energy: -50.318
Base-Backbone interact. energy: -0.030
local terms energy: -50.268140
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -9.345
flat angles C4'-P-C4' energy: -8.689
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: -12.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -105.877436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.877436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.877436 (E_RNA)
where:
Base-Base interactions energy: -45.852
where: short stacking energy: -39.565
Base-Backbone interact. energy: -0.293
local terms energy: -59.732826
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -13.190
flat angles P-C4'-P energy: -12.237
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: 9, replica: 7
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -83.775199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.775199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.775199 (E_RNA)
where:
Base-Base interactions energy: -27.513
where: short stacking energy: -27.513
Base-Backbone interact. energy: -0.268
local terms energy: -55.994086
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -14.298
flat angles C4'-P-C4' energy: -9.720
flat angles P-C4'-P energy: -8.898
tors. eta vs tors. theta energy: -8.201
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: 1
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -82.773303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.773303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.773303 (E_RNA)
where:
Base-Base interactions energy: -31.079
where: short stacking energy: -26.237
Base-Backbone interact. energy: -0.131
local terms energy: -51.563950
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -12.493
flat angles C4'-P-C4' energy: -10.819
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -4.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -221.002762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.002762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.002762 (E_RNA)
where:
Base-Base interactions energy: -141.525
where: short stacking energy: -73.618
Base-Backbone interact. energy: -0.053
local terms energy: -79.424180
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -15.909
flat angles P-C4'-P energy: -9.905
tors. eta vs tors. theta energy: -21.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -221.178609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.178609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.178609 (E_RNA)
where:
Base-Base interactions energy: -146.429
where: short stacking energy: -70.839
Base-Backbone interact. energy: -0.203
local terms energy: -74.546426
where:
bonds (distance) C4'-P energy: -16.099
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -18.106
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: 434
Temperature: 1.000000
Total energy: -219.063869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.063869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.063869 (E_RNA)
where:
Base-Base interactions energy: -144.415
where: short stacking energy: -72.726
Base-Backbone interact. energy: -0.843
local terms energy: -73.806038
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -10.627
flat angles C4'-P-C4' energy: -17.666
flat angles P-C4'-P energy: -10.493
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: 4, replica: 4
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -212.444643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.444643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.444643 (E_RNA)
where:
Base-Base interactions energy: -139.153
where: short stacking energy: -74.962
Base-Backbone interact. energy: -0.006
local terms energy: -73.286088
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -16.021
flat angles C4'-P-C4' energy: -15.620
flat angles P-C4'-P energy: -5.945
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: 5, replica: 2
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -204.035945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.035945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.035945 (E_RNA)
where:
Base-Base interactions energy: -129.263
where: short stacking energy: -65.664
Base-Backbone interact. energy: -0.058
local terms energy: -74.714335
where:
bonds (distance) C4'-P energy: -11.026
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -15.183
flat angles P-C4'-P energy: -13.134
tors. eta vs tors. theta energy: -18.768
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: 6, replica: 5
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -121.804935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.804935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.804935 (E_RNA)
where:
Base-Base interactions energy: -72.155
where: short stacking energy: -37.376
Base-Backbone interact. energy: -0.115
local terms energy: -49.535301
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -14.077
flat angles C4'-P-C4' energy: -16.120
flat angles P-C4'-P energy: -7.020
tors. eta vs tors. theta energy: 0.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -96.946703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.946703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.946703 (E_RNA)
where:
Base-Base interactions energy: -41.575
where: short stacking energy: -39.272
Base-Backbone interact. energy: -0.017
local terms energy: -55.354591
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -14.239
flat angles C4'-P-C4' energy: -8.690
flat angles P-C4'-P energy: -5.985
tors. eta vs tors. theta energy: -11.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -129.776894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.776894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.776894 (E_RNA)
where:
Base-Base interactions energy: -67.086
where: short stacking energy: -39.080
Base-Backbone interact. energy: -1.897
local terms energy: -60.794065
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -16.885
flat angles P-C4'-P energy: -7.341
tors. eta vs tors. theta energy: -10.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -78.627800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.627800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.627800 (E_RNA)
where:
Base-Base interactions energy: -26.090
where: short stacking energy: -25.974
Base-Backbone interact. energy: -0.498
local terms energy: -52.039286
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -11.714
flat angles P-C4'-P energy: -9.264
tors. eta vs tors. theta energy: -1.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -74.761225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.761225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.761225 (E_RNA)
where:
Base-Base interactions energy: -20.898
where: short stacking energy: -19.366
Base-Backbone interact. energy: -0.545
local terms energy: -53.317664
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -14.888
flat angles P-C4'-P energy: -5.763
tors. eta vs tors. theta energy: -0.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -218.687166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.687166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.687166 (E_RNA)
where:
Base-Base interactions energy: -135.881
where: short stacking energy: -72.862
Base-Backbone interact. energy: -0.022
local terms energy: -82.783633
where:
bonds (distance) C4'-P energy: -16.670
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -16.837
flat angles P-C4'-P energy: -11.958
tors. eta vs tors. theta energy: -23.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -219.203379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.203379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.203379 (E_RNA)
where:
Base-Base interactions energy: -142.136
where: short stacking energy: -74.946
Base-Backbone interact. energy: -0.089
local terms energy: -76.978859
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -16.416
flat angles P-C4'-P energy: -12.543
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: 3, replica: 10
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -204.353198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.353198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.353198 (E_RNA)
where:
Base-Base interactions energy: -130.437
where: short stacking energy: -64.637
Base-Backbone interact. energy: 0.749
local terms energy: -74.665593
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -16.185
flat angles P-C4'-P energy: -9.918
tors. eta vs tors. theta energy: -18.231
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: 4, replica: 2
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -196.403159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.403159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.403159 (E_RNA)
where:
Base-Base interactions energy: -126.554
where: short stacking energy: -60.166
Base-Backbone interact. energy: -0.049
local terms energy: -69.800502
where:
bonds (distance) C4'-P energy: -11.255
bonds (distance) P-C4' energy: -10.364
flat angles C4'-P-C4' energy: -17.346
flat angles P-C4'-P energy: -7.788
tors. eta vs tors. theta energy: -23.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -191.193549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.193549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.193549 (E_RNA)
where:
Base-Base interactions energy: -122.913
where: short stacking energy: -60.656
Base-Backbone interact. energy: -0.069
local terms energy: -68.211888
where:
bonds (distance) C4'-P energy: -10.849
bonds (distance) P-C4' energy: -16.561
flat angles C4'-P-C4' energy: -13.721
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -17.022
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: 435
Temperature: 1.150000
Total energy: -141.459006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.459006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.459006 (E_RNA)
where:
Base-Base interactions energy: -80.131
where: short stacking energy: -52.611
Base-Backbone interact. energy: -0.001
local terms energy: -61.327600
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -11.231
flat angles C4'-P-C4' energy: -15.095
flat angles P-C4'-P energy: -10.088
tors. eta vs tors. theta energy: -9.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -100.596245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.596245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.596245 (E_RNA)
where:
Base-Base interactions energy: -37.533
where: short stacking energy: -28.443
Base-Backbone interact. energy: -1.202
local terms energy: -61.861620
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -9.650
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: 1
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -78.056787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.056787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.056787 (E_RNA)
where:
Base-Base interactions energy: -34.679
where: short stacking energy: -21.990
Base-Backbone interact. energy: -0.406
local terms energy: -42.972699
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -12.026
flat angles P-C4'-P energy: -6.876
tors. eta vs tors. theta energy: -1.345
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: 9
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -111.942448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.942448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.942448 (E_RNA)
where:
Base-Base interactions energy: -59.625
where: short stacking energy: -33.990
Base-Backbone interact. energy: -1.611
local terms energy: -50.706721
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -7.205
flat angles P-C4'-P energy: -8.936
tors. eta vs tors. theta energy: -6.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -71.734198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.734198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.734198 (E_RNA)
where:
Base-Base interactions energy: -28.441
where: short stacking energy: -27.016
Base-Backbone interact. energy: 0.333
local terms energy: -43.626550
where:
bonds (distance) C4'-P energy: -9.387
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -8.418
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -1.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -213.036044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.036044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.036044 (E_RNA)
where:
Base-Base interactions energy: -136.912
where: short stacking energy: -64.363
Base-Backbone interact. energy: -0.102
local terms energy: -76.022054
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -14.471
flat angles C4'-P-C4' energy: -16.897
flat angles P-C4'-P energy: -12.147
tors. eta vs tors. theta energy: -16.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -213.565021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.565021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.565021 (E_RNA)
where:
Base-Base interactions energy: -136.536
where: short stacking energy: -67.516
Base-Backbone interact. energy: -0.145
local terms energy: -76.884000
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -13.692
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -12.144
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: 3, replica: 2
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -209.282744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.282744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.282744 (E_RNA)
where:
Base-Base interactions energy: -133.704
where: short stacking energy: -75.900
Base-Backbone interact. energy: -0.001
local terms energy: -75.577239
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -15.758
flat angles P-C4'-P energy: -12.894
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: 4, replica: 10
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -199.907056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.907056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.907056 (E_RNA)
where:
Base-Base interactions energy: -138.340
where: short stacking energy: -67.713
Base-Backbone interact. energy: -0.006
local terms energy: -61.560313
where:
bonds (distance) C4'-P energy: -9.175
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -9.945
tors. eta vs tors. theta energy: -14.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -184.628949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.628949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.628949 (E_RNA)
where:
Base-Base interactions energy: -113.207
where: short stacking energy: -55.124
Base-Backbone interact. energy: -0.005
local terms energy: -71.416333
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -10.770
flat angles C4'-P-C4' energy: -18.224
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: -16.715
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: 436
Temperature: 1.150000
Total energy: -129.036939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.036939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.036939 (E_RNA)
where:
Base-Base interactions energy: -74.127
where: short stacking energy: -33.127
Base-Backbone interact. energy: -0.071
local terms energy: -54.839825
where:
bonds (distance) C4'-P energy: -13.400
bonds (distance) P-C4' energy: -15.789
flat angles C4'-P-C4' energy: -13.282
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: -2.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -102.232991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.232991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.232991 (E_RNA)
where:
Base-Base interactions energy: -46.634
where: short stacking energy: -40.265
Base-Backbone interact. energy: -1.086
local terms energy: -54.513586
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -12.435
flat angles P-C4'-P energy: -8.596
tors. eta vs tors. theta energy: -2.103
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: 3
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -81.488745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.488745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.488745 (E_RNA)
where:
Base-Base interactions energy: -25.208
where: short stacking energy: -25.208
Base-Backbone interact. energy: -0.122
local terms energy: -56.159483
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -10.060
flat angles P-C4'-P energy: -11.110
tors. eta vs tors. theta energy: -4.970
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: 7
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -83.786436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.786436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.786436 (E_RNA)
where:
Base-Base interactions energy: -31.304
where: short stacking energy: -31.304
Base-Backbone interact. energy: -0.116
local terms energy: -52.366532
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -11.634
flat angles C4'-P-C4' energy: -13.612
flat angles P-C4'-P energy: -7.198
tors. eta vs tors. theta energy: -5.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -76.239048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.239048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.239048 (E_RNA)
where:
Base-Base interactions energy: -24.187
where: short stacking energy: -18.559
Base-Backbone interact. energy: 0.588
local terms energy: -52.640217
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -13.425
flat angles P-C4'-P energy: -6.171
tors. eta vs tors. theta energy: -1.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -211.286222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.286222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.286222 (E_RNA)
where:
Base-Base interactions energy: -135.812
where: short stacking energy: -71.522
Base-Backbone interact. energy: -0.086
local terms energy: -75.387626
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -13.957
flat angles P-C4'-P energy: -7.736
tors. eta vs tors. theta energy: -22.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -217.193593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.193593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.193593 (E_RNA)
where:
Base-Base interactions energy: -135.511
where: short stacking energy: -71.747
Base-Backbone interact. energy: -1.143
local terms energy: -80.539659
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -15.839
flat angles P-C4'-P energy: -13.101
tors. eta vs tors. theta energy: -22.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -215.990390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.990390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.990390 (E_RNA)
where:
Base-Base interactions energy: -142.938
where: short stacking energy: -70.028
Base-Backbone interact. energy: 0.477
local terms energy: -73.529221
where:
bonds (distance) C4'-P energy: -11.089
bonds (distance) P-C4' energy: -13.661
flat angles C4'-P-C4' energy: -14.407
flat angles P-C4'-P energy: -13.975
tors. eta vs tors. theta energy: -20.397
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: 4
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -180.066212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.066212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.066212 (E_RNA)
where:
Base-Base interactions energy: -111.911
where: short stacking energy: -56.190
Base-Backbone interact. energy: -0.046
local terms energy: -68.109040
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -13.732
flat angles C4'-P-C4' energy: -13.860
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: -15.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -189.500021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.500021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.500021 (E_RNA)
where:
Base-Base interactions energy: -122.388
where: short stacking energy: -56.971
Base-Backbone interact. energy: -0.055
local terms energy: -67.056871
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -16.597
flat angles P-C4'-P energy: -7.422
tors. eta vs tors. theta energy: -12.921
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: 6, replica: 5
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -138.899812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.899812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.899812 (E_RNA)
where:
Base-Base interactions energy: -78.587
where: short stacking energy: -45.699
Base-Backbone interact. energy: -0.251
local terms energy: -60.061969
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -12.996
flat angles C4'-P-C4' energy: -10.894
flat angles P-C4'-P energy: -10.598
tors. eta vs tors. theta energy: -11.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -90.570122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.570122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.570122 (E_RNA)
where:
Base-Base interactions energy: -41.254
where: short stacking energy: -21.215
Base-Backbone interact. energy: -0.109
local terms energy: -49.207225
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -11.484
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: 2.851
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: 8, replica: 3
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -90.109093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.109093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.109093 (E_RNA)
where:
Base-Base interactions energy: -38.475
where: short stacking energy: -25.684
Base-Backbone interact. energy: -0.063
local terms energy: -51.570964
where:
bonds (distance) C4'-P energy: -9.290
bonds (distance) P-C4' energy: -16.533
flat angles C4'-P-C4' energy: -11.271
flat angles P-C4'-P energy: -9.084
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: 9, replica: 7
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -69.708459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.708459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.708459 (E_RNA)
where:
Base-Base interactions energy: -22.479
where: short stacking energy: -13.221
Base-Backbone interact. energy: -0.125
local terms energy: -47.104362
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -15.462
flat angles C4'-P-C4' energy: -10.501
flat angles P-C4'-P energy: -9.597
tors. eta vs tors. theta energy: 2.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -75.742787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.742787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.742787 (E_RNA)
where:
Base-Base interactions energy: -28.463
where: short stacking energy: -21.685
Base-Backbone interact. energy: -0.134
local terms energy: -47.145951
where:
bonds (distance) C4'-P energy: -13.901
bonds (distance) P-C4' energy: -13.157
flat angles C4'-P-C4' energy: -11.473
flat angles P-C4'-P energy: -8.646
tors. eta vs tors. theta energy: 0.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -224.917983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.917983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.917983 (E_RNA)
where:
Base-Base interactions energy: -141.558
where: short stacking energy: -74.131
Base-Backbone interact. energy: 0.207
local terms energy: -83.567084
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -16.517
flat angles C4'-P-C4' energy: -16.720
flat angles P-C4'-P energy: -13.036
tors. eta vs tors. theta energy: -21.279
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: 2, replica: 8
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -201.268800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.268800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.268800 (E_RNA)
where:
Base-Base interactions energy: -130.181
where: short stacking energy: -60.424
Base-Backbone interact. energy: -0.179
local terms energy: -70.908558
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -16.682
flat angles P-C4'-P energy: -8.931
tors. eta vs tors. theta energy: -15.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -201.990770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.990770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.990770 (E_RNA)
where:
Base-Base interactions energy: -128.590
where: short stacking energy: -64.341
Base-Backbone interact. energy: -0.004
local terms energy: -73.396708
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -16.469
flat angles C4'-P-C4' energy: -12.386
flat angles P-C4'-P energy: -12.217
tors. eta vs tors. theta energy: -17.231
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: 4, replica: 2
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -200.732685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.732685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.732685 (E_RNA)
where:
Base-Base interactions energy: -131.288
where: short stacking energy: -54.714
Base-Backbone interact. energy: -0.035
local terms energy: -69.409223
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -12.621
flat angles C4'-P-C4' energy: -16.569
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -16.198
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: 5
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -168.505205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.505205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.505205 (E_RNA)
where:
Base-Base interactions energy: -99.970
where: short stacking energy: -49.184
Base-Backbone interact. energy: 1.118
local terms energy: -69.653174
where:
bonds (distance) C4'-P energy: -17.291
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -11.140
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: 6, replica: 10
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -176.111129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.111129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.111129 (E_RNA)
where:
Base-Base interactions energy: -116.802
where: short stacking energy: -54.779
Base-Backbone interact. energy: -0.003
local terms energy: -59.306565
where:
bonds (distance) C4'-P energy: -7.650
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -14.174
flat angles P-C4'-P energy: -7.840
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: 438
Temperature: 1.200000
Total energy: -91.840092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.840092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.840092 (E_RNA)
where:
Base-Base interactions energy: -35.200
where: short stacking energy: -35.200
Base-Backbone interact. energy: 0.673
local terms energy: -57.313957
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -12.285
flat angles P-C4'-P energy: -10.031
tors. eta vs tors. theta energy: -4.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -99.663439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.663439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.663439 (E_RNA)
where:
Base-Base interactions energy: -43.566
where: short stacking energy: -43.566
Base-Backbone interact. energy: -0.030
local terms energy: -56.067144
where:
bonds (distance) C4'-P energy: -16.044
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -10.084
flat angles P-C4'-P energy: -6.862
tors. eta vs tors. theta energy: -7.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -75.661022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.661022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.661022 (E_RNA)
where:
Base-Base interactions energy: -29.451
where: short stacking energy: -29.451
Base-Backbone interact. energy: 1.183
local terms energy: -47.392549
where:
bonds (distance) C4'-P energy: -8.197
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -13.439
flat angles P-C4'-P energy: -6.796
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: 438
Temperature: 1.350000
Total energy: -82.822609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.822609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.822609 (E_RNA)
where:
Base-Base interactions energy: -33.843
where: short stacking energy: -33.843
Base-Backbone interact. energy: -0.096
local terms energy: -48.884260
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -10.307
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: -5.328
tors. eta vs tors. theta energy: -8.604
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: 6
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -215.726687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.726687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.726687 (E_RNA)
where:
Base-Base interactions energy: -134.468
where: short stacking energy: -66.745
Base-Backbone interact. energy: -0.153
local terms energy: -81.105900
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -13.979
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: 4
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -213.893740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.893740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.893740 (E_RNA)
where:
Base-Base interactions energy: -142.240
where: short stacking energy: -73.386
Base-Backbone interact. energy: -0.014
local terms energy: -71.640008
where:
bonds (distance) C4'-P energy: -13.912
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -17.196
flat angles P-C4'-P energy: -9.688
tors. eta vs tors. theta energy: -16.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -190.018090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.018090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.018090 (E_RNA)
where:
Base-Base interactions energy: -119.937
where: short stacking energy: -53.511
Base-Backbone interact. energy: -0.157
local terms energy: -69.924899
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -14.313
flat angles C4'-P-C4' energy: -17.107
flat angles P-C4'-P energy: -8.305
tors. eta vs tors. theta energy: -16.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -200.335537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.335537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.335537 (E_RNA)
where:
Base-Base interactions energy: -127.578
where: short stacking energy: -60.801
Base-Backbone interact. energy: -0.001
local terms energy: -72.756676
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -18.250
flat angles C4'-P-C4' energy: -14.259
flat angles P-C4'-P energy: -6.848
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: 5, replica: 5
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -145.507524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.507524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.507524 (E_RNA)
where:
Base-Base interactions energy: -90.568
where: short stacking energy: -38.096
Base-Backbone interact. energy: -0.109
local terms energy: -54.830495
where:
bonds (distance) C4'-P energy: -10.741
bonds (distance) P-C4' energy: -12.520
flat angles C4'-P-C4' energy: -17.172
flat angles P-C4'-P energy: -6.837
tors. eta vs tors. theta energy: -7.561
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: 3
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -101.168934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.168934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.168934 (E_RNA)
where:
Base-Base interactions energy: -39.615
where: short stacking energy: -37.971
Base-Backbone interact. energy: -0.026
local terms energy: -61.528485
where:
bonds (distance) C4'-P energy: -10.972
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -14.641
flat angles P-C4'-P energy: -8.621
tors. eta vs tors. theta energy: -9.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -167.263956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.263956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.263956 (E_RNA)
where:
Base-Base interactions energy: -106.018
where: short stacking energy: -40.239
Base-Backbone interact. energy: -0.312
local terms energy: -60.933627
where:
bonds (distance) C4'-P energy: -11.901
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -9.109
tors. eta vs tors. theta energy: -9.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -82.403814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.403814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.403814 (E_RNA)
where:
Base-Base interactions energy: -34.926
where: short stacking energy: -26.522
Base-Backbone interact. energy: 0.105
local terms energy: -47.582147
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -11.170
flat angles C4'-P-C4' energy: -6.864
flat angles P-C4'-P energy: -11.907
tors. eta vs tors. theta energy: -3.931
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: 9, replica: 7
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -79.517507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.517507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.517507 (E_RNA)
where:
Base-Base interactions energy: -22.553
where: short stacking energy: -17.628
Base-Backbone interact. energy: -0.316
local terms energy: -56.648901
where:
bonds (distance) C4'-P energy: -16.304
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -12.614
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -2.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -73.387593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.387593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.387593 (E_RNA)
where:
Base-Base interactions energy: -21.737
where: short stacking energy: -16.864
Base-Backbone interact. energy: -1.162
local terms energy: -50.488883
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -14.664
flat angles C4'-P-C4' energy: -13.204
flat angles P-C4'-P energy: -8.247
tors. eta vs tors. theta energy: 1.949
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: 1, replica: 4
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -221.095361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.095361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.095361 (E_RNA)
where:
Base-Base interactions energy: -144.414
where: short stacking energy: -69.975
Base-Backbone interact. energy: -0.068
local terms energy: -76.613612
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -18.334
flat angles P-C4'-P energy: -9.512
tors. eta vs tors. theta energy: -19.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -210.985916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.985916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.985916 (E_RNA)
where:
Base-Base interactions energy: -135.706
where: short stacking energy: -67.961
Base-Backbone interact. energy: -0.215
local terms energy: -75.065425
where:
bonds (distance) C4'-P energy: -13.148
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -16.011
flat angles P-C4'-P energy: -7.876
tors. eta vs tors. theta energy: -21.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -206.834451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.834451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.834451 (E_RNA)
where:
Base-Base interactions energy: -128.363
where: short stacking energy: -64.813
Base-Backbone interact. energy: -0.088
local terms energy: -78.384068
where:
bonds (distance) C4'-P energy: -15.920
bonds (distance) P-C4' energy: -13.112
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -11.801
tors. eta vs tors. theta energy: -21.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -196.360342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.360342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.360342 (E_RNA)
where:
Base-Base interactions energy: -127.748
where: short stacking energy: -70.260
Base-Backbone interact. energy: -0.077
local terms energy: -68.535699
where:
bonds (distance) C4'-P energy: -11.999
bonds (distance) P-C4' energy: -14.942
flat angles C4'-P-C4' energy: -13.394
flat angles P-C4'-P energy: -8.526
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: 5, replica: 5
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -129.879047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.879047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.879047 (E_RNA)
where:
Base-Base interactions energy: -84.276
where: short stacking energy: -38.504
Base-Backbone interact. energy: -0.164
local terms energy: -45.438597
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -13.992
flat angles C4'-P-C4' energy: -9.278
flat angles P-C4'-P energy: -7.120
tors. eta vs tors. theta energy: -2.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -96.455983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.455983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.455983 (E_RNA)
where:
Base-Base interactions energy: -34.917
where: short stacking energy: -33.151
Base-Backbone interact. energy: -0.301
local terms energy: -61.237854
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -13.107
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: -5.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -173.258878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.258878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.258878 (E_RNA)
where:
Base-Base interactions energy: -113.705
where: short stacking energy: -52.105
Base-Backbone interact. energy: -0.254
local terms energy: -59.299631
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -10.390
flat angles C4'-P-C4' energy: -8.059
flat angles P-C4'-P energy: -10.329
tors. eta vs tors. theta energy: -13.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -88.321167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.321167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.321167 (E_RNA)
where:
Base-Base interactions energy: -30.911
where: short stacking energy: -31.011
Base-Backbone interact. energy: 4.266
local terms energy: -61.675319
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -15.129
flat angles P-C4'-P energy: -8.446
tors. eta vs tors. theta energy: -6.643
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: 9
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -78.508471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.508471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.508471 (E_RNA)
where:
Base-Base interactions energy: -32.163
where: short stacking energy: -24.768
Base-Backbone interact. energy: -0.262
local terms energy: -46.082753
where:
bonds (distance) C4'-P energy: -12.441
bonds (distance) P-C4' energy: -14.115
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -5.304
tors. eta vs tors. theta energy: 1.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -84.044025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.044025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.044025 (E_RNA)
where:
Base-Base interactions energy: -38.756
where: short stacking energy: -19.253
Base-Backbone interact. energy: 0.309
local terms energy: -45.596994
where:
bonds (distance) C4'-P energy: -7.702
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -7.308
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)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -222.710448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.710448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.710448 (E_RNA)
where:
Base-Base interactions energy: -143.788
where: short stacking energy: -64.684
Base-Backbone interact. energy: -0.051
local terms energy: -78.871908
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -12.383
tors. eta vs tors. theta energy: -17.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -204.517608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.517608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.517608 (E_RNA)
where:
Base-Base interactions energy: -134.159
where: short stacking energy: -64.843
Base-Backbone interact. energy: 0.218
local terms energy: -70.576682
where:
bonds (distance) C4'-P energy: -14.632
bonds (distance) P-C4' energy: -14.073
flat angles C4'-P-C4' energy: -16.084
flat angles P-C4'-P energy: -8.616
tors. eta vs tors. theta energy: -17.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -208.355933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.355933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.355933 (E_RNA)
where:
Base-Base interactions energy: -135.969
where: short stacking energy: -67.134
Base-Backbone interact. energy: -0.011
local terms energy: -72.375961
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -8.599
tors. eta vs tors. theta energy: -19.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -201.613083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.613083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.613083 (E_RNA)
where:
Base-Base interactions energy: -137.908
where: short stacking energy: -51.243
Base-Backbone interact. energy: -0.123
local terms energy: -63.581898
where:
bonds (distance) C4'-P energy: -12.868
bonds (distance) P-C4' energy: -12.678
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -10.271
tors. eta vs tors. theta energy: -12.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -144.465077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.465077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.465077 (E_RNA)
where:
Base-Base interactions energy: -88.265
where: short stacking energy: -43.730
Base-Backbone interact. energy: 0.333
local terms energy: -56.533325
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -13.744
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -6.714
tors. eta vs tors. theta energy: -6.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -181.165701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.165701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.165701 (E_RNA)
where:
Base-Base interactions energy: -119.633
where: short stacking energy: -63.105
Base-Backbone interact. energy: -0.025
local terms energy: -61.507307
where:
bonds (distance) C4'-P energy: -7.479
bonds (distance) P-C4' energy: -10.893
flat angles C4'-P-C4' energy: -13.642
flat angles P-C4'-P energy: -11.049
tors. eta vs tors. theta energy: -18.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -91.574191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.574191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.574191 (E_RNA)
where:
Base-Base interactions energy: -36.637
where: short stacking energy: -21.840
Base-Backbone interact. energy: -0.104
local terms energy: -54.833592
where:
bonds (distance) C4'-P energy: -10.162
bonds (distance) P-C4' energy: -19.131
flat angles C4'-P-C4' energy: -11.538
flat angles P-C4'-P energy: -11.256
tors. eta vs tors. theta energy: -2.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -82.187023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.187023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.187023 (E_RNA)
where:
Base-Base interactions energy: -33.839
where: short stacking energy: -32.811
Base-Backbone interact. energy: -0.330
local terms energy: -48.017356
where:
bonds (distance) C4'-P energy: -15.929
bonds (distance) P-C4' energy: -10.701
flat angles C4'-P-C4' energy: -12.833
flat angles P-C4'-P energy: -6.488
tors. eta vs tors. theta energy: -2.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -74.993610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.993610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.993610 (E_RNA)
where:
Base-Base interactions energy: -22.848
where: short stacking energy: -19.604
Base-Backbone interact. energy: 0.084
local terms energy: -52.229673
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -17.056
flat angles C4'-P-C4' energy: -10.266
flat angles P-C4'-P energy: -10.534
tors. eta vs tors. theta energy: 0.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -81.721790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.721790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.721790 (E_RNA)
where:
Base-Base interactions energy: -25.738
where: short stacking energy: -24.894
Base-Backbone interact. energy: 1.518
local terms energy: -57.501857
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -12.331
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -11.073
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: 1, replica: 2
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -211.660884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.660884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.660884 (E_RNA)
where:
Base-Base interactions energy: -138.598
where: short stacking energy: -71.180
Base-Backbone interact. energy: -0.020
local terms energy: -73.043250
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -11.182
flat angles P-C4'-P energy: -12.234
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: 2, replica: 4
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -217.921052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.921052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.921052 (E_RNA)
where:
Base-Base interactions energy: -138.306
where: short stacking energy: -72.125
Base-Backbone interact. energy: -0.055
local terms energy: -79.560350
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -16.661
flat angles P-C4'-P energy: -11.273
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: 3, replica: 8
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -212.978899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.978899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.978899 (E_RNA)
where:
Base-Base interactions energy: -145.897
where: short stacking energy: -58.071
Base-Backbone interact. energy: -0.579
local terms energy: -66.502189
where:
bonds (distance) C4'-P energy: -13.036
bonds (distance) P-C4' energy: -14.548
flat angles C4'-P-C4' energy: -14.674
flat angles P-C4'-P energy: -9.489
tors. eta vs tors. theta energy: -14.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -205.018047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.018047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.018047 (E_RNA)
where:
Base-Base interactions energy: -129.447
where: short stacking energy: -67.694
Base-Backbone interact. energy: -0.002
local terms energy: -75.569733
where:
bonds (distance) C4'-P energy: -14.797
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -16.566
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: -18.149
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: 5, replica: 5
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -159.287832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.287832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.287832 (E_RNA)
where:
Base-Base interactions energy: -100.026
where: short stacking energy: -46.102
Base-Backbone interact. energy: -0.407
local terms energy: -58.854651
where:
bonds (distance) C4'-P energy: -9.957
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -14.255
flat angles P-C4'-P energy: -11.635
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: 6, replica: 10
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -150.347327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.347327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.347327 (E_RNA)
where:
Base-Base interactions energy: -95.706
where: short stacking energy: -47.859
Base-Backbone interact. energy: -0.281
local terms energy: -54.360938
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -8.879
flat angles P-C4'-P energy: -9.140
tors. eta vs tors. theta energy: -9.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -80.966396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.966396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.966396 (E_RNA)
where:
Base-Base interactions energy: -26.485
where: short stacking energy: -26.485
Base-Backbone interact. energy: -0.232
local terms energy: -54.249381
where:
bonds (distance) C4'-P energy: -12.721
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -11.794
tors. eta vs tors. theta energy: -2.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -85.955708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.955708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.955708 (E_RNA)
where:
Base-Base interactions energy: -33.783
where: short stacking energy: -33.783
Base-Backbone interact. energy: -0.016
local terms energy: -52.157174
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -12.540
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -2.721
tors. eta vs tors. theta energy: -8.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -84.518370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.518370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.518370 (E_RNA)
where:
Base-Base interactions energy: -30.755
where: short stacking energy: -21.652
Base-Backbone interact. energy: 2.257
local terms energy: -56.020973
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -16.524
flat angles P-C4'-P energy: -7.994
tors. eta vs tors. theta energy: -4.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -75.012072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.012072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.012072 (E_RNA)
where:
Base-Base interactions energy: -24.212
where: short stacking energy: -18.085
Base-Backbone interact. energy: -0.197
local terms energy: -50.603692
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -6.403
flat angles P-C4'-P energy: -6.999
tors. eta vs tors. theta energy: -8.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -219.744591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.744591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.744591 (E_RNA)
where:
Base-Base interactions energy: -143.900
where: short stacking energy: -71.095
Base-Backbone interact. energy: -0.045
local terms energy: -75.799771
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -13.390
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -22.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -211.476337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.476337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.476337 (E_RNA)
where:
Base-Base interactions energy: -142.767
where: short stacking energy: -54.070
Base-Backbone interact. energy: -0.660
local terms energy: -68.049274
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -12.645
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -9.072
tors. eta vs tors. theta energy: -13.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -218.210932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.210932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.210932 (E_RNA)
where:
Base-Base interactions energy: -140.177
where: short stacking energy: -68.394
Base-Backbone interact. energy: -0.019
local terms energy: -78.014779
where:
bonds (distance) C4'-P energy: -12.854
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -17.221
flat angles P-C4'-P energy: -12.825
tors. eta vs tors. theta energy: -20.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -202.293463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.293463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.293463 (E_RNA)
where:
Base-Base interactions energy: -125.897
where: short stacking energy: -63.884
Base-Backbone interact. energy: -0.194
local terms energy: -76.203344
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -15.609
flat angles P-C4'-P energy: -12.433
tors. eta vs tors. theta energy: -18.196
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: 443
Temperature: 1.100000
Total energy: -163.828062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.828062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.828062 (E_RNA)
where:
Base-Base interactions energy: -99.888
where: short stacking energy: -46.682
Base-Backbone interact. energy: 1.229
local terms energy: -65.169970
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -15.718
flat angles P-C4'-P energy: -8.061
tors. eta vs tors. theta energy: -9.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -151.246340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.246340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.246340 (E_RNA)
where:
Base-Base interactions energy: -85.977
where: short stacking energy: -56.441
Base-Backbone interact. energy: -0.134
local terms energy: -65.135319
where:
bonds (distance) C4'-P energy: -14.478
bonds (distance) P-C4' energy: -13.101
flat angles C4'-P-C4' energy: -13.909
flat angles P-C4'-P energy: -10.824
tors. eta vs tors. theta energy: -12.824
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: 443
Temperature: 1.200000
Total energy: -89.673911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.673911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.673911 (E_RNA)
where:
Base-Base interactions energy: -35.398
where: short stacking energy: -32.869
Base-Backbone interact. energy: -1.319
local terms energy: -52.956745
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -16.195
flat angles P-C4'-P energy: -5.830
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: 8, replica: 7
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -91.760678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.760678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.760678 (E_RNA)
where:
Base-Base interactions energy: -37.885
where: short stacking energy: -33.958
Base-Backbone interact. energy: -0.157
local terms energy: -53.719321
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -11.416
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: -8.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -80.339352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.339352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.339352 (E_RNA)
where:
Base-Base interactions energy: -29.530
where: short stacking energy: -29.530
Base-Backbone interact. energy: -0.408
local terms energy: -50.401823
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -15.048
flat angles C4'-P-C4' energy: -11.063
flat angles P-C4'-P energy: -7.941
tors. eta vs tors. theta energy: -1.986
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: 1
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -83.718661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.718661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.718661 (E_RNA)
where:
Base-Base interactions energy: -41.328
where: short stacking energy: -28.888
Base-Backbone interact. energy: -0.460
local terms energy: -41.930344
where:
bonds (distance) C4'-P energy: -9.448
bonds (distance) P-C4' energy: -14.136
flat angles C4'-P-C4' energy: -6.546
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: -2.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -223.520499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.520499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.520499 (E_RNA)
where:
Base-Base interactions energy: -139.314
where: short stacking energy: -68.491
Base-Backbone interact. energy: -0.006
local terms energy: -84.199781
where:
bonds (distance) C4'-P energy: -16.251
bonds (distance) P-C4' energy: -17.856
flat angles C4'-P-C4' energy: -14.780
flat angles P-C4'-P energy: -11.514
tors. eta vs tors. theta energy: -23.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -212.280693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.280693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.280693 (E_RNA)
where:
Base-Base interactions energy: -134.973
where: short stacking energy: -71.364
Base-Backbone interact. energy: -0.081
local terms energy: -77.226594
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -11.803
tors. eta vs tors. theta energy: -21.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -212.657875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.657875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.657875 (E_RNA)
where:
Base-Base interactions energy: -141.056
where: short stacking energy: -70.612
Base-Backbone interact. energy: -0.082
local terms energy: -71.519360
where:
bonds (distance) C4'-P energy: -8.861
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -16.078
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: -22.897
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: 4, replica: 4
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -201.193915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.193915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.193915 (E_RNA)
where:
Base-Base interactions energy: -124.161
where: short stacking energy: -60.900
Base-Backbone interact. energy: -0.209
local terms energy: -76.824010
where:
bonds (distance) C4'-P energy: -15.584
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -16.965
flat angles P-C4'-P energy: -9.687
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: 5
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -153.870395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.870395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.870395 (E_RNA)
where:
Base-Base interactions energy: -96.425
where: short stacking energy: -52.602
Base-Backbone interact. energy: -0.030
local terms energy: -57.416004
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -13.958
flat angles P-C4'-P energy: -6.444
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: 6, replica: 10
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -137.878370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.878370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.878370 (E_RNA)
where:
Base-Base interactions energy: -75.431
where: short stacking energy: -44.468
Base-Backbone interact. energy: 0.124
local terms energy: -62.571206
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -11.633
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -11.624
tors. eta vs tors. theta energy: -11.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -116.691790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.691790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.691790 (E_RNA)
where:
Base-Base interactions energy: -66.944
where: short stacking energy: -34.338
Base-Backbone interact. energy: -0.129
local terms energy: -49.618998
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -11.211
flat angles P-C4'-P energy: -7.680
tors. eta vs tors. theta energy: -2.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -86.847376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.847376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.847376 (E_RNA)
where:
Base-Base interactions energy: -29.654
where: short stacking energy: -29.654
Base-Backbone interact. energy: -0.188
local terms energy: -57.005228
where:
bonds (distance) C4'-P energy: -14.220
bonds (distance) P-C4' energy: -8.406
flat angles C4'-P-C4' energy: -12.664
flat angles P-C4'-P energy: -13.929
tors. eta vs tors. theta energy: -7.787
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: 1
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -88.608351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.608351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.608351 (E_RNA)
where:
Base-Base interactions energy: -34.166
where: short stacking energy: -34.166
Base-Backbone interact. energy: -0.187
local terms energy: -54.255306
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -12.479
flat angles C4'-P-C4' energy: -14.215
flat angles P-C4'-P energy: -7.271
tors. eta vs tors. theta energy: -5.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -69.405268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.405268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.405268 (E_RNA)
where:
Base-Base interactions energy: -31.887
where: short stacking energy: -21.458
Base-Backbone interact. energy: -0.216
local terms energy: -37.302468
where:
bonds (distance) C4'-P energy: -11.072
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -5.836
flat angles P-C4'-P energy: -5.602
tors. eta vs tors. theta energy: -0.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -224.674213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.674213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.674213 (E_RNA)
where:
Base-Base interactions energy: -144.173
where: short stacking energy: -74.172
Base-Backbone interact. energy: -0.048
local terms energy: -80.453076
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -15.646
flat angles C4'-P-C4' energy: -19.914
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -20.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -217.475030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.475030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.475030 (E_RNA)
where:
Base-Base interactions energy: -133.510
where: short stacking energy: -67.793
Base-Backbone interact. energy: 0.986
local terms energy: -84.951292
where:
bonds (distance) C4'-P energy: -18.644
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -16.895
flat angles P-C4'-P energy: -14.270
tors. eta vs tors. theta energy: -20.621
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: 3, replica: 6
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -211.235769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.235769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.235769 (E_RNA)
where:
Base-Base interactions energy: -140.220
where: short stacking energy: -63.527
Base-Backbone interact. energy: -0.067
local terms energy: -70.948688
where:
bonds (distance) C4'-P energy: -12.760
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -10.412
tors. eta vs tors. theta energy: -17.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -214.204810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.204810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.204810 (E_RNA)
where:
Base-Base interactions energy: -141.228
where: short stacking energy: -66.678
Base-Backbone interact. energy: -0.123
local terms energy: -72.853167
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -14.759
flat angles P-C4'-P energy: -8.570
tors. eta vs tors. theta energy: -20.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -171.394070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.394070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.394070 (E_RNA)
where:
Base-Base interactions energy: -103.737
where: short stacking energy: -58.422
Base-Backbone interact. energy: -0.580
local terms energy: -67.077320
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -10.415
tors. eta vs tors. theta energy: -14.549
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: 10
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -134.345234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.345234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.345234 (E_RNA)
where:
Base-Base interactions energy: -77.530
where: short stacking energy: -37.098
Base-Backbone interact. energy: 0.585
local terms energy: -57.400151
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -16.204
flat angles C4'-P-C4' energy: -12.170
flat angles P-C4'-P energy: -4.676
tors. eta vs tors. theta energy: -8.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -94.198774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.198774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.198774 (E_RNA)
where:
Base-Base interactions energy: -38.740
where: short stacking energy: -35.117
Base-Backbone interact. energy: -0.097
local terms energy: -55.361014
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -12.123
flat angles P-C4'-P energy: -5.873
tors. eta vs tors. theta energy: -7.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -87.932152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.932152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.932152 (E_RNA)
where:
Base-Base interactions energy: -31.779
where: short stacking energy: -21.672
Base-Backbone interact. energy: -0.334
local terms energy: -55.818658
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -18.902
flat angles C4'-P-C4' energy: -12.081
flat angles P-C4'-P energy: -8.614
tors. eta vs tors. theta energy: -3.613
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: 1
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -84.026987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.026987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.026987 (E_RNA)
where:
Base-Base interactions energy: -27.544
where: short stacking energy: -26.341
Base-Backbone interact. energy: -0.072
local terms energy: -56.410689
where:
bonds (distance) C4'-P energy: -11.531
bonds (distance) P-C4' energy: -13.256
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -6.864
tors. eta vs tors. theta energy: -9.077
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: 445
Temperature: 1.350000
Total energy: -82.105334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.105334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.105334 (E_RNA)
where:
Base-Base interactions energy: -28.434
where: short stacking energy: -27.930
Base-Backbone interact. energy: -0.073
local terms energy: -53.598338
where:
bonds (distance) C4'-P energy: -15.367
bonds (distance) P-C4' energy: -12.026
flat angles C4'-P-C4' energy: -16.077
flat angles P-C4'-P energy: -2.116
tors. eta vs tors. theta energy: -8.013
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: 1, replica: 2
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -222.230483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.230483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.230483 (E_RNA)
where:
Base-Base interactions energy: -139.991
where: short stacking energy: -73.334
Base-Backbone interact. energy: -0.035
local terms energy: -82.204816
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -14.954
flat angles C4'-P-C4' energy: -18.054
flat angles P-C4'-P energy: -11.428
tors. eta vs tors. theta energy: -23.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -217.985809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.985809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.985809 (E_RNA)
where:
Base-Base interactions energy: -136.325
where: short stacking energy: -72.148
Base-Backbone interact. energy: -0.022
local terms energy: -81.638244
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -18.032
flat angles P-C4'-P energy: -13.686
tors. eta vs tors. theta energy: -18.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -211.786318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.786318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.786318 (E_RNA)
where:
Base-Base interactions energy: -146.489
where: short stacking energy: -72.431
Base-Backbone interact. energy: -0.085
local terms energy: -65.212800
where:
bonds (distance) C4'-P energy: -7.047
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -16.820
flat angles P-C4'-P energy: -8.240
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: 4, replica: 6
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -212.498945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.498945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.498945 (E_RNA)
where:
Base-Base interactions energy: -130.934
where: short stacking energy: -68.070
Base-Backbone interact. energy: -0.009
local terms energy: -81.556257
where:
bonds (distance) C4'-P energy: -16.313
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -17.241
flat angles P-C4'-P energy: -12.085
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: 5, replica: 10
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -151.196233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.196233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.196233 (E_RNA)
where:
Base-Base interactions energy: -81.261
where: short stacking energy: -51.044
Base-Backbone interact. energy: -0.634
local terms energy: -69.301018
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -14.614
flat angles P-C4'-P energy: -6.070
tors. eta vs tors. theta energy: -17.946
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: 5
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -165.776613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.776613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.776613 (E_RNA)
where:
Base-Base interactions energy: -96.992
where: short stacking energy: -49.263
Base-Backbone interact. energy: -0.128
local terms energy: -68.656718
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -12.410
flat angles P-C4'-P energy: -13.047
tors. eta vs tors. theta energy: -10.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -87.170929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.170929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.170929 (E_RNA)
where:
Base-Base interactions energy: -38.221
where: short stacking energy: -29.876
Base-Backbone interact. energy: 2.167
local terms energy: -51.116033
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -15.830
flat angles C4'-P-C4' energy: -11.335
flat angles P-C4'-P energy: -7.871
tors. eta vs tors. theta energy: -3.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -98.622289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.622289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.622289 (E_RNA)
where:
Base-Base interactions energy: -42.318
where: short stacking energy: -36.500
Base-Backbone interact. energy: -0.079
local terms energy: -56.225673
where:
bonds (distance) C4'-P energy: -11.839
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -14.174
flat angles P-C4'-P energy: -7.702
tors. eta vs tors. theta energy: -7.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -75.087992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.087992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.087992 (E_RNA)
where:
Base-Base interactions energy: -24.396
where: short stacking energy: -20.336
Base-Backbone interact. energy: -0.114
local terms energy: -50.578096
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -15.957
flat angles C4'-P-C4' energy: -11.879
flat angles P-C4'-P energy: -7.067
tors. eta vs tors. theta energy: -0.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -77.807931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.807931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.807931 (E_RNA)
where:
Base-Base interactions energy: -22.734
where: short stacking energy: -19.938
Base-Backbone interact. energy: -0.275
local terms energy: -54.799042
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -13.189
flat angles P-C4'-P energy: -10.309
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: 2
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -220.981149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.981149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.981149 (E_RNA)
where:
Base-Base interactions energy: -139.592
where: short stacking energy: -70.843
Base-Backbone interact. energy: -0.465
local terms energy: -80.923233
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -16.548
flat angles P-C4'-P energy: -12.933
tors. eta vs tors. theta energy: -23.797
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: 8
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -218.461842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.461842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.461842 (E_RNA)
where:
Base-Base interactions energy: -145.212
where: short stacking energy: -77.871
Base-Backbone interact. energy: -0.765
local terms energy: -72.484658
where:
bonds (distance) C4'-P energy: -12.046
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -10.442
tors. eta vs tors. theta energy: -20.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -210.700257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.700257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.700257 (E_RNA)
where:
Base-Base interactions energy: -135.181
where: short stacking energy: -72.645
Base-Backbone interact. energy: -0.102
local terms energy: -75.416706
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -13.048
flat angles C4'-P-C4' energy: -15.603
flat angles P-C4'-P energy: -11.935
tors. eta vs tors. theta energy: -19.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -157.077222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.077222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.077222 (E_RNA)
where:
Base-Base interactions energy: -92.504
where: short stacking energy: -57.533
Base-Backbone interact. energy: -0.386
local terms energy: -64.186965
where:
bonds (distance) C4'-P energy: -12.995
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -9.481
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: 5, replica: 6
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -198.888041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.888041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.888041 (E_RNA)
where:
Base-Base interactions energy: -133.574
where: short stacking energy: -69.087
Base-Backbone interact. energy: -0.103
local terms energy: -65.211180
where:
bonds (distance) C4'-P energy: -8.141
bonds (distance) P-C4' energy: -12.422
flat angles C4'-P-C4' energy: -16.309
flat angles P-C4'-P energy: -7.874
tors. eta vs tors. theta energy: -20.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -150.455747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.455747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.455747 (E_RNA)
where:
Base-Base interactions energy: -90.501
where: short stacking energy: -44.077
Base-Backbone interact. energy: 0.184
local terms energy: -60.139597
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -15.615
flat angles C4'-P-C4' energy: -15.937
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -5.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -103.608958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.608958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.608958 (E_RNA)
where:
Base-Base interactions energy: -45.849
where: short stacking energy: -36.763
Base-Backbone interact. energy: -0.648
local terms energy: -57.112016
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -8.310
tors. eta vs tors. theta energy: -4.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -82.917972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.917972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.917972 (E_RNA)
where:
Base-Base interactions energy: -32.561
where: short stacking energy: -32.561
Base-Backbone interact. energy: -0.114
local terms energy: -50.242839
where:
bonds (distance) C4'-P energy: -8.865
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -10.081
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: -4.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -75.663896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.663896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.663896 (E_RNA)
where:
Base-Base interactions energy: -28.601
where: short stacking energy: -28.312
Base-Backbone interact. energy: -0.126
local terms energy: -46.936668
where:
bonds (distance) C4'-P energy: -11.482
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -10.179
flat angles P-C4'-P energy: -8.764
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: 1
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -85.816470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.816470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.816470 (E_RNA)
where:
Base-Base interactions energy: -37.806
where: short stacking energy: -21.595
Base-Backbone interact. energy: -0.421
local terms energy: -47.588755
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -8.944
flat angles C4'-P-C4' energy: -11.882
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: -1.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -209.126385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.126385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.126385 (E_RNA)
where:
Base-Base interactions energy: -136.386
where: short stacking energy: -61.064
Base-Backbone interact. energy: -0.081
local terms energy: -72.659313
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -12.353
flat angles C4'-P-C4' energy: -16.843
flat angles P-C4'-P energy: -13.203
tors. eta vs tors. theta energy: -14.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -220.002056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.002056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.002056 (E_RNA)
where:
Base-Base interactions energy: -140.382
where: short stacking energy: -66.666
Base-Backbone interact. energy: -0.166
local terms energy: -79.454081
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -17.280
flat angles P-C4'-P energy: -11.819
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: 3, replica: 4
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -208.549719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.549719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.549719 (E_RNA)
where:
Base-Base interactions energy: -127.453
where: short stacking energy: -65.198
Base-Backbone interact. energy: 0.487
local terms energy: -81.583315
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -18.816
flat angles P-C4'-P energy: -11.605
tors. eta vs tors. theta energy: -20.539
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: 10
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -151.296885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.296885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.296885 (E_RNA)
where:
Base-Base interactions energy: -85.474
where: short stacking energy: -46.177
Base-Backbone interact. energy: -0.983
local terms energy: -64.839895
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -14.695
flat angles P-C4'-P energy: -12.628
tors. eta vs tors. theta energy: -7.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -190.432231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.432231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.432231 (E_RNA)
where:
Base-Base interactions energy: -122.283
where: short stacking energy: -56.981
Base-Backbone interact. energy: -0.051
local terms energy: -68.097754
where:
bonds (distance) C4'-P energy: -12.911
bonds (distance) P-C4' energy: -14.742
flat angles C4'-P-C4' energy: -12.566
flat angles P-C4'-P energy: -11.288
tors. eta vs tors. theta energy: -16.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -142.792485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.792485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.792485 (E_RNA)
where:
Base-Base interactions energy: -78.795
where: short stacking energy: -45.729
Base-Backbone interact. energy: -0.013
local terms energy: -63.985344
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -11.290
flat angles P-C4'-P energy: -9.827
tors. eta vs tors. theta energy: -13.546
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: 7, replica: 7
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -89.482361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.482361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.482361 (E_RNA)
where:
Base-Base interactions energy: -40.530
where: short stacking energy: -34.342
Base-Backbone interact. energy: -0.232
local terms energy: -48.720195
where:
bonds (distance) C4'-P energy: -11.458
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -6.017
tors. eta vs tors. theta energy: -2.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -74.649025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.649025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.649025 (E_RNA)
where:
Base-Base interactions energy: -27.285
where: short stacking energy: -23.762
Base-Backbone interact. energy: 1.310
local terms energy: -48.674447
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -12.672
flat angles C4'-P-C4' energy: -11.666
flat angles P-C4'-P energy: -8.675
tors. eta vs tors. theta energy: 0.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -86.555475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.555475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.555475 (E_RNA)
where:
Base-Base interactions energy: -37.193
where: short stacking energy: -17.472
Base-Backbone interact. energy: -0.769
local terms energy: -48.593496
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -16.929
flat angles C4'-P-C4' energy: -11.201
flat angles P-C4'-P energy: -4.557
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: 10, replica: 3
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -80.653392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.653392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.653392 (E_RNA)
where:
Base-Base interactions energy: -24.596
where: short stacking energy: -24.312
Base-Backbone interact. energy: -0.597
local terms energy: -55.460515
where:
bonds (distance) C4'-P energy: -11.987
bonds (distance) P-C4' energy: -15.180
flat angles C4'-P-C4' energy: -10.812
flat angles P-C4'-P energy: -14.149
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: 2
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -221.910491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.910491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.910491 (E_RNA)
where:
Base-Base interactions energy: -149.344
where: short stacking energy: -69.579
Base-Backbone interact. energy: -0.050
local terms energy: -72.515648
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -13.336
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -20.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -216.759453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.759453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.759453 (E_RNA)
where:
Base-Base interactions energy: -134.841
where: short stacking energy: -68.127
Base-Backbone interact. energy: -0.821
local terms energy: -81.097608
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -16.575
flat angles P-C4'-P energy: -14.178
tors. eta vs tors. theta energy: -20.947
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: 3, replica: 4
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -212.841724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.841724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.841724 (E_RNA)
where:
Base-Base interactions energy: -131.778
where: short stacking energy: -68.419
Base-Backbone interact. energy: 0.666
local terms energy: -81.729988
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -12.221
tors. eta vs tors. theta energy: -20.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -188.377675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.377675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.377675 (E_RNA)
where:
Base-Base interactions energy: -118.305
where: short stacking energy: -52.369
Base-Backbone interact. energy: -0.104
local terms energy: -69.969258
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -13.069
flat angles P-C4'-P energy: -12.714
tors. eta vs tors. theta energy: -14.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -147.653164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.653164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.653164 (E_RNA)
where:
Base-Base interactions energy: -87.895
where: short stacking energy: -48.535
Base-Backbone interact. energy: -0.731
local terms energy: -59.027113
where:
bonds (distance) C4'-P energy: -11.158
bonds (distance) P-C4' energy: -15.937
flat angles C4'-P-C4' energy: -13.558
flat angles P-C4'-P energy: -7.115
tors. eta vs tors. theta energy: -11.259
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: 6, replica: 5
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -163.481223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.481223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.481223 (E_RNA)
where:
Base-Base interactions energy: -103.789
where: short stacking energy: -36.995
Base-Backbone interact. energy: -0.896
local terms energy: -58.795877
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -11.034
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -7.247
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: 7, replica: 7
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -86.655125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.655125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.655125 (E_RNA)
where:
Base-Base interactions energy: -42.418
where: short stacking energy: -27.458
Base-Backbone interact. energy: -0.073
local terms energy: -44.163751
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -14.049
flat angles C4'-P-C4' energy: -9.320
flat angles P-C4'-P energy: -8.086
tors. eta vs tors. theta energy: 0.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -116.270173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.270173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.270173 (E_RNA)
where:
Base-Base interactions energy: -74.542
where: short stacking energy: -35.498
Base-Backbone interact. energy: -0.177
local terms energy: -41.551282
where:
bonds (distance) C4'-P energy: -7.168
bonds (distance) P-C4' energy: -11.292
flat angles C4'-P-C4' energy: -15.052
flat angles P-C4'-P energy: -6.194
tors. eta vs tors. theta energy: -1.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -80.894543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.894543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.894543 (E_RNA)
where:
Base-Base interactions energy: -27.487
where: short stacking energy: -27.487
Base-Backbone interact. energy: -0.030
local terms energy: -53.377295
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -14.086
flat angles C4'-P-C4' energy: -12.472
flat angles P-C4'-P energy: -7.242
tors. eta vs tors. theta energy: -4.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -78.833539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.833539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.833539 (E_RNA)
where:
Base-Base interactions energy: -30.228
where: short stacking energy: -30.228
Base-Backbone interact. energy: -0.435
local terms energy: -48.170031
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -7.992
flat angles P-C4'-P energy: -11.231
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: 1, replica: 2
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -231.327179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.327179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.327179 (E_RNA)
where:
Base-Base interactions energy: -148.221
where: short stacking energy: -72.628
Base-Backbone interact. energy: -0.331
local terms energy: -82.774972
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -18.013
flat angles P-C4'-P energy: -11.586
tors. eta vs tors. theta energy: -22.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -227.555802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.555802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.555802 (E_RNA)
where:
Base-Base interactions energy: -151.768
where: short stacking energy: -74.057
Base-Backbone interact. energy: -0.026
local terms energy: -75.762266
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -10.268
flat angles C4'-P-C4' energy: -16.416
flat angles P-C4'-P energy: -12.584
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: 3, replica: 4
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -219.279904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.279904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.279904 (E_RNA)
where:
Base-Base interactions energy: -144.431
where: short stacking energy: -69.895
Base-Backbone interact. energy: -0.010
local terms energy: -74.839095
where:
bonds (distance) C4'-P energy: -10.671
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -14.975
flat angles P-C4'-P energy: -12.429
tors. eta vs tors. theta energy: -21.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -189.406219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.406219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.406219 (E_RNA)
where:
Base-Base interactions energy: -126.133
where: short stacking energy: -59.455
Base-Backbone interact. energy: 1.289
local terms energy: -64.561811
where:
bonds (distance) C4'-P energy: -13.902
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -11.531
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -13.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -178.892072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.892072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.892072 (E_RNA)
where:
Base-Base interactions energy: -112.022
where: short stacking energy: -50.433
Base-Backbone interact. energy: -0.137
local terms energy: -66.733004
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -14.904
flat angles C4'-P-C4' energy: -15.511
flat angles P-C4'-P energy: -8.352
tors. eta vs tors. theta energy: -12.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -123.598485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.598485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.598485 (E_RNA)
where:
Base-Base interactions energy: -67.155
where: short stacking energy: -35.033
Base-Backbone interact. energy: -0.757
local terms energy: -55.686892
where:
bonds (distance) C4'-P energy: -12.758
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -9.421
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -7.462
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: 1
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -132.000994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.000994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.000994 (E_RNA)
where:
Base-Base interactions energy: -68.401
where: short stacking energy: -41.098
Base-Backbone interact. energy: -0.345
local terms energy: -63.254677
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -10.568
tors. eta vs tors. theta energy: -7.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -86.601720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.601720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.601720 (E_RNA)
where:
Base-Base interactions energy: -32.795
where: short stacking energy: -31.808
Base-Backbone interact. energy: -0.367
local terms energy: -53.439236
where:
bonds (distance) C4'-P energy: -16.679
bonds (distance) P-C4' energy: -13.084
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -5.227
tors. eta vs tors. theta energy: -3.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -70.985827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.985827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.985827 (E_RNA)
where:
Base-Base interactions energy: -28.401
where: short stacking energy: -27.932
Base-Backbone interact. energy: -0.209
local terms energy: -42.376393
where:
bonds (distance) C4'-P energy: -11.168
bonds (distance) P-C4' energy: -9.824
flat angles C4'-P-C4' energy: -5.087
flat angles P-C4'-P energy: -10.405
tors. eta vs tors. theta energy: -5.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -75.740505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.740505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.740505 (E_RNA)
where:
Base-Base interactions energy: -18.139
where: short stacking energy: -14.042
Base-Backbone interact. energy: -1.221
local terms energy: -56.380561
where:
bonds (distance) C4'-P energy: -17.418
bonds (distance) P-C4' energy: -13.415
flat angles C4'-P-C4' energy: -15.992
flat angles P-C4'-P energy: -7.459
tors. eta vs tors. theta energy: -2.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -227.799557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.799557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.799557 (E_RNA)
where:
Base-Base interactions energy: -146.653
where: short stacking energy: -69.466
Base-Backbone interact. energy: -0.092
local terms energy: -81.055314
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -16.696
flat angles P-C4'-P energy: -11.166
tors. eta vs tors. theta energy: -20.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -226.336394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.336394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.336394 (E_RNA)
where:
Base-Base interactions energy: -150.312
where: short stacking energy: -63.605
Base-Backbone interact. energy: 1.022
local terms energy: -77.046173
where:
bonds (distance) C4'-P energy: -14.990
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -14.101
flat angles P-C4'-P energy: -12.601
tors. eta vs tors. theta energy: -18.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -212.189785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.189785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.189785 (E_RNA)
where:
Base-Base interactions energy: -132.522
where: short stacking energy: -68.441
Base-Backbone interact. energy: -0.547
local terms energy: -79.121164
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -16.572
flat angles P-C4'-P energy: -11.153
tors. eta vs tors. theta energy: -22.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -186.164245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.164245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.164245 (E_RNA)
where:
Base-Base interactions energy: -117.091
where: short stacking energy: -62.043
Base-Backbone interact. energy: -0.074
local terms energy: -68.999342
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -13.453
flat angles P-C4'-P energy: -9.797
tors. eta vs tors. theta energy: -16.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -197.691569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.691569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.691569 (E_RNA)
where:
Base-Base interactions energy: -126.442
where: short stacking energy: -64.138
Base-Backbone interact. energy: -0.103
local terms energy: -71.146974
where:
bonds (distance) C4'-P energy: -14.726
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -10.171
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: 6, replica: 10
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -134.197354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.197354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.197354 (E_RNA)
where:
Base-Base interactions energy: -66.727
where: short stacking energy: -34.961
Base-Backbone interact. energy: -0.445
local terms energy: -67.024624
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -16.827
flat angles P-C4'-P energy: -5.876
tors. eta vs tors. theta energy: -11.357
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: 1
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -99.185925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.185925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.185925 (E_RNA)
where:
Base-Base interactions energy: -44.890
where: short stacking energy: -26.274
Base-Backbone interact. energy: -0.242
local terms energy: -54.054336
where:
bonds (distance) C4'-P energy: -11.842
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -13.461
flat angles P-C4'-P energy: -9.607
tors. eta vs tors. theta energy: -2.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -91.495349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.495349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.495349 (E_RNA)
where:
Base-Base interactions energy: -44.069
where: short stacking energy: -31.376
Base-Backbone interact. energy: 4.930
local terms energy: -52.356431
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -16.120
flat angles C4'-P-C4' energy: -9.645
flat angles P-C4'-P energy: -4.992
tors. eta vs tors. theta energy: -6.271
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: 7
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -76.241133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.241133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.241133 (E_RNA)
where:
Base-Base interactions energy: -36.640
where: short stacking energy: -16.602
Base-Backbone interact. energy: 0.539
local terms energy: -40.139460
where:
bonds (distance) C4'-P energy: -9.169
bonds (distance) P-C4' energy: -14.767
flat angles C4'-P-C4' energy: -11.317
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: 5.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -83.910933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.910933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.910933 (E_RNA)
where:
Base-Base interactions energy: -29.083
where: short stacking energy: -22.119
Base-Backbone interact. energy: -0.210
local terms energy: -54.617233
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -12.974
flat angles P-C4'-P energy: -9.343
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: 4
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -228.767965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.767965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.767965 (E_RNA)
where:
Base-Base interactions energy: -148.707
where: short stacking energy: -74.877
Base-Backbone interact. energy: -0.098
local terms energy: -79.963652
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -14.372
flat angles C4'-P-C4' energy: -18.938
flat angles P-C4'-P energy: -10.424
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: 2, replica: 2
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -217.973460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.973460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.973460 (E_RNA)
where:
Base-Base interactions energy: -141.048
where: short stacking energy: -69.708
Base-Backbone interact. energy: -0.001
local terms energy: -76.924648
where:
bonds (distance) C4'-P energy: -13.671
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -15.483
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: -20.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -214.956769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.956769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.956769 (E_RNA)
where:
Base-Base interactions energy: -136.319
where: short stacking energy: -66.262
Base-Backbone interact. energy: -0.038
local terms energy: -78.599289
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -17.342
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: -23.533
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: 6
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -200.316544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.316544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.316544 (E_RNA)
where:
Base-Base interactions energy: -129.024
where: short stacking energy: -68.971
Base-Backbone interact. energy: -0.010
local terms energy: -71.283072
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -12.567
flat angles C4'-P-C4' energy: -16.233
flat angles P-C4'-P energy: -7.743
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: 5, replica: 5
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -194.612190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.612190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.612190 (E_RNA)
where:
Base-Base interactions energy: -116.853
where: short stacking energy: -59.660
Base-Backbone interact. energy: -0.053
local terms energy: -77.706230
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -13.997
flat angles C4'-P-C4' energy: -16.663
flat angles P-C4'-P energy: -13.111
tors. eta vs tors. theta energy: -17.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -129.139488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.139488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.139488 (E_RNA)
where:
Base-Base interactions energy: -78.057
where: short stacking energy: -36.814
Base-Backbone interact. energy: -0.942
local terms energy: -50.140214
where:
bonds (distance) C4'-P energy: -8.025
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -14.590
flat angles P-C4'-P energy: -10.824
tors. eta vs tors. theta energy: -3.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -86.766128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.766128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.766128 (E_RNA)
where:
Base-Base interactions energy: -35.220
where: short stacking energy: -21.874
Base-Backbone interact. energy: -0.009
local terms energy: -51.537933
where:
bonds (distance) C4'-P energy: -11.744
bonds (distance) P-C4' energy: -12.464
flat angles C4'-P-C4' energy: -14.214
flat angles P-C4'-P energy: -8.031
tors. eta vs tors. theta energy: -5.085
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: 8, replica: 1
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -98.102688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.102688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.102688 (E_RNA)
where:
Base-Base interactions energy: -47.301
where: short stacking energy: -31.482
Base-Backbone interact. energy: -0.255
local terms energy: -50.546439
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -11.975
flat angles C4'-P-C4' energy: -11.154
flat angles P-C4'-P energy: -7.831
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: 9, replica: 9
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -81.092381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.092381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.092381 (E_RNA)
where:
Base-Base interactions energy: -36.758
where: short stacking energy: -24.896
Base-Backbone interact. energy: -0.136
local terms energy: -44.199010
where:
bonds (distance) C4'-P energy: -10.011
bonds (distance) P-C4' energy: -15.102
flat angles C4'-P-C4' energy: -12.587
flat angles P-C4'-P energy: -8.145
tors. eta vs tors. theta energy: 1.647
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: 7
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -88.939595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.939595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.939595 (E_RNA)
where:
Base-Base interactions energy: -31.335
where: short stacking energy: -31.335
Base-Backbone interact. energy: -0.044
local terms energy: -57.560475
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -16.113
flat angles P-C4'-P energy: -3.501
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: 1, replica: 4
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -223.902946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.902946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.902946 (E_RNA)
where:
Base-Base interactions energy: -153.006
where: short stacking energy: -73.496
Base-Backbone interact. energy: 0.553
local terms energy: -71.449773
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -13.415
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -9.932
tors. eta vs tors. theta energy: -18.164
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: 2
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -210.047664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.047664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.047664 (E_RNA)
where:
Base-Base interactions energy: -129.536
where: short stacking energy: -66.671
Base-Backbone interact. energy: -0.661
local terms energy: -79.850194
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -13.079
tors. eta vs tors. theta energy: -18.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -202.827162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.827162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.827162 (E_RNA)
where:
Base-Base interactions energy: -126.795
where: short stacking energy: -62.701
Base-Backbone interact. energy: -0.081
local terms energy: -75.950626
where:
bonds (distance) C4'-P energy: -17.161
bonds (distance) P-C4' energy: -10.135
flat angles C4'-P-C4' energy: -15.329
flat angles P-C4'-P energy: -12.715
tors. eta vs tors. theta energy: -20.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -207.431769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.431769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.431769 (E_RNA)
where:
Base-Base interactions energy: -134.941
where: short stacking energy: -67.445
Base-Backbone interact. energy: -0.182
local terms energy: -72.309333
where:
bonds (distance) C4'-P energy: -11.509
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -16.094
flat angles P-C4'-P energy: -11.443
tors. eta vs tors. theta energy: -17.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -193.913360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.913360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.913360 (E_RNA)
where:
Base-Base interactions energy: -120.714
where: short stacking energy: -65.488
Base-Backbone interact. energy: -0.009
local terms energy: -73.190188
where:
bonds (distance) C4'-P energy: -13.089
bonds (distance) P-C4' energy: -14.835
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -10.851
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: 6, replica: 3
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -95.224800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.224800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.224800 (E_RNA)
where:
Base-Base interactions energy: -36.295
where: short stacking energy: -35.691
Base-Backbone interact. energy: -0.050
local terms energy: -58.880413
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -15.424
flat angles P-C4'-P energy: -4.886
tors. eta vs tors. theta energy: -5.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -144.863394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.863394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.863394 (E_RNA)
where:
Base-Base interactions energy: -92.627
where: short stacking energy: -34.138
Base-Backbone interact. energy: -0.078
local terms energy: -52.158944
where:
bonds (distance) C4'-P energy: -13.860
bonds (distance) P-C4' energy: -9.546
flat angles C4'-P-C4' energy: -12.262
flat angles P-C4'-P energy: -8.483
tors. eta vs tors. theta energy: -8.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -93.696635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.696635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.696635 (E_RNA)
where:
Base-Base interactions energy: -37.609
where: short stacking energy: -37.603
Base-Backbone interact. energy: -0.029
local terms energy: -56.058645
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -14.249
flat angles P-C4'-P energy: -4.697
tors. eta vs tors. theta energy: -4.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -103.554544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.554544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.554544 (E_RNA)
where:
Base-Base interactions energy: -48.682
where: short stacking energy: -39.403
Base-Backbone interact. energy: -0.171
local terms energy: -54.701511
where:
bonds (distance) C4'-P energy: -7.937
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -7.887
tors. eta vs tors. theta energy: -10.796
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: 7
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -77.544223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.544223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.544223 (E_RNA)
where:
Base-Base interactions energy: -27.006
where: short stacking energy: -23.314
Base-Backbone interact. energy: -0.151
local terms energy: -50.387831
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -11.206
flat angles C4'-P-C4' energy: -13.116
flat angles P-C4'-P energy: -5.333
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: 1, replica: 4
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -217.228209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.228209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.228209 (E_RNA)
where:
Base-Base interactions energy: -138.608
where: short stacking energy: -77.741
Base-Backbone interact. energy: -0.010
local terms energy: -78.610858
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -16.756
flat angles C4'-P-C4' energy: -14.148
flat angles P-C4'-P energy: -13.597
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: 2, replica: 2
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -213.522457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.522457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.522457 (E_RNA)
where:
Base-Base interactions energy: -134.129
where: short stacking energy: -71.146
Base-Backbone interact. energy: -0.598
local terms energy: -78.795134
where:
bonds (distance) C4'-P energy: -12.752
bonds (distance) P-C4' energy: -14.378
flat angles C4'-P-C4' energy: -18.143
flat angles P-C4'-P energy: -10.780
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: 3, replica: 8
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -197.152779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.152779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.152779 (E_RNA)
where:
Base-Base interactions energy: -126.608
where: short stacking energy: -64.949
Base-Backbone interact. energy: -0.149
local terms energy: -70.396187
where:
bonds (distance) C4'-P energy: -10.625
bonds (distance) P-C4' energy: -15.437
flat angles C4'-P-C4' energy: -17.059
flat angles P-C4'-P energy: -9.949
tors. eta vs tors. theta energy: -17.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -208.186620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.186620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.186620 (E_RNA)
where:
Base-Base interactions energy: -137.035
where: short stacking energy: -65.413
Base-Backbone interact. energy: -0.074
local terms energy: -71.077746
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -14.208
flat angles C4'-P-C4' energy: -15.366
flat angles P-C4'-P energy: -13.126
tors. eta vs tors. theta energy: -16.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -186.355953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.355953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.355953 (E_RNA)
where:
Base-Base interactions energy: -113.274
where: short stacking energy: -55.840
Base-Backbone interact. energy: -0.065
local terms energy: -73.017066
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -17.069
flat angles P-C4'-P energy: -9.409
tors. eta vs tors. theta energy: -12.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -96.438502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.438502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.438502 (E_RNA)
where:
Base-Base interactions energy: -34.627
where: short stacking energy: -34.627
Base-Backbone interact. energy: -0.001
local terms energy: -61.810171
where:
bonds (distance) C4'-P energy: -15.423
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -10.098
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: -10.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -156.754379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.754379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.754379 (E_RNA)
where:
Base-Base interactions energy: -101.305
where: short stacking energy: -41.302
Base-Backbone interact. energy: -0.508
local terms energy: -54.941756
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -9.952
flat angles P-C4'-P energy: -13.629
tors. eta vs tors. theta energy: -3.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -97.912126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.912126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.912126 (E_RNA)
where:
Base-Base interactions energy: -42.959
where: short stacking energy: -28.945
Base-Backbone interact. energy: -0.139
local terms energy: -54.814622
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -13.686
flat angles P-C4'-P energy: -8.636
tors. eta vs tors. theta energy: -3.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -87.447455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.447455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.447455 (E_RNA)
where:
Base-Base interactions energy: -34.613
where: short stacking energy: -33.498
Base-Backbone interact. energy: -0.833
local terms energy: -52.000740
where:
bonds (distance) C4'-P energy: -9.444
bonds (distance) P-C4' energy: -15.256
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -9.647
tors. eta vs tors. theta energy: -5.056
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: 1
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -85.473839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.473839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.473839 (E_RNA)
where:
Base-Base interactions energy: -38.754
where: short stacking energy: -38.754
Base-Backbone interact. energy: -0.005
local terms energy: -46.714391
where:
bonds (distance) C4'-P energy: -8.353
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -15.410
flat angles P-C4'-P energy: -1.207
tors. eta vs tors. theta energy: -8.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -224.257619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.257619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.257619 (E_RNA)
where:
Base-Base interactions energy: -139.506
where: short stacking energy: -71.555
Base-Backbone interact. energy: -0.048
local terms energy: -84.703457
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -17.541
flat angles P-C4'-P energy: -12.064
tors. eta vs tors. theta energy: -21.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -208.448042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.448042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.448042 (E_RNA)
where:
Base-Base interactions energy: -134.461
where: short stacking energy: -68.273
Base-Backbone interact. energy: -0.102
local terms energy: -73.884712
where:
bonds (distance) C4'-P energy: -11.483
bonds (distance) P-C4' energy: -11.143
flat angles C4'-P-C4' energy: -16.288
flat angles P-C4'-P energy: -14.305
tors. eta vs tors. theta energy: -20.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -205.434134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.434134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.434134 (E_RNA)
where:
Base-Base interactions energy: -134.724
where: short stacking energy: -61.659
Base-Backbone interact. energy: -0.112
local terms energy: -70.597521
where:
bonds (distance) C4'-P energy: -11.779
bonds (distance) P-C4' energy: -15.281
flat angles C4'-P-C4' energy: -16.581
flat angles P-C4'-P energy: -9.709
tors. eta vs tors. theta energy: -17.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -201.728498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.728498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.728498 (E_RNA)
where:
Base-Base interactions energy: -130.780
where: short stacking energy: -62.092
Base-Backbone interact. energy: -0.066
local terms energy: -70.883044
where:
bonds (distance) C4'-P energy: -13.771
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -7.738
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: 5, replica: 6
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -186.304945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.304945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.304945 (E_RNA)
where:
Base-Base interactions energy: -118.398
where: short stacking energy: -51.983
Base-Backbone interact. energy: -1.332
local terms energy: -66.575085
where:
bonds (distance) C4'-P energy: -10.952
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -16.637
flat angles P-C4'-P energy: -6.731
tors. eta vs tors. theta energy: -14.789
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: 6, replica: 10
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -155.889404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.889404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.889404 (E_RNA)
where:
Base-Base interactions energy: -93.648
where: short stacking energy: -49.023
Base-Backbone interact. energy: -0.809
local terms energy: -61.431652
where:
bonds (distance) C4'-P energy: -15.508
bonds (distance) P-C4' energy: -14.617
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -3.421
tors. eta vs tors. theta energy: -12.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -85.136176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.136176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.136176 (E_RNA)
where:
Base-Base interactions energy: -32.678
where: short stacking energy: -28.970
Base-Backbone interact. energy: 0.128
local terms energy: -52.586388
where:
bonds (distance) C4'-P energy: -15.122
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -12.159
flat angles P-C4'-P energy: -9.165
tors. eta vs tors. theta energy: -0.262
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: 7
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -87.175480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.175480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.175480 (E_RNA)
where:
Base-Base interactions energy: -37.882
where: short stacking energy: -27.512
Base-Backbone interact. energy: -0.583
local terms energy: -48.710720
where:
bonds (distance) C4'-P energy: -9.433
bonds (distance) P-C4' energy: -15.433
flat angles C4'-P-C4' energy: -9.961
flat angles P-C4'-P energy: -5.929
tors. eta vs tors. theta energy: -7.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -79.379430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.379430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.379430 (E_RNA)
where:
Base-Base interactions energy: -33.087
where: short stacking energy: -30.113
Base-Backbone interact. energy: -0.298
local terms energy: -45.994107
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -12.395
flat angles C4'-P-C4' energy: -13.588
flat angles P-C4'-P energy: -1.046
tors. eta vs tors. theta energy: -4.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -78.999399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.999399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.999399 (E_RNA)
where:
Base-Base interactions energy: -28.302
where: short stacking energy: -18.041
Base-Backbone interact. energy: 0.563
local terms energy: -51.260863
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -12.666
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: 2.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -224.571029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.571029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.571029 (E_RNA)
where:
Base-Base interactions energy: -141.067
where: short stacking energy: -74.482
Base-Backbone interact. energy: -0.048
local terms energy: -83.455586
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -18.276
flat angles P-C4'-P energy: -12.922
tors. eta vs tors. theta energy: -22.450
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: 8
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -206.214388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.214388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.214388 (E_RNA)
where:
Base-Base interactions energy: -131.666
where: short stacking energy: -56.302
Base-Backbone interact. energy: -0.075
local terms energy: -74.473591
where:
bonds (distance) C4'-P energy: -10.803
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -15.021
flat angles P-C4'-P energy: -10.670
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: 3, replica: 5
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -206.150287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.150287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.150287 (E_RNA)
where:
Base-Base interactions energy: -134.025
where: short stacking energy: -69.429
Base-Backbone interact. energy: -0.210
local terms energy: -71.915230
where:
bonds (distance) C4'-P energy: -11.808
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -14.637
flat angles P-C4'-P energy: -8.756
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: 4, replica: 2
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -211.740533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.740533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.740533 (E_RNA)
where:
Base-Base interactions energy: -139.558
where: short stacking energy: -66.431
Base-Backbone interact. energy: -0.307
local terms energy: -71.875153
where:
bonds (distance) C4'-P energy: -11.742
bonds (distance) P-C4' energy: -17.008
flat angles C4'-P-C4' energy: -18.039
flat angles P-C4'-P energy: -5.967
tors. eta vs tors. theta energy: -19.119
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: 5, replica: 6
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -186.853552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.853552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.853552 (E_RNA)
where:
Base-Base interactions energy: -121.574
where: short stacking energy: -49.757
Base-Backbone interact. energy: 0.604
local terms energy: -65.884001
where:
bonds (distance) C4'-P energy: -11.508
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -14.974
flat angles P-C4'-P energy: -10.462
tors. eta vs tors. theta energy: -13.315
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: 6, replica: 10
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -148.411706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.411706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.411706 (E_RNA)
where:
Base-Base interactions energy: -80.315
where: short stacking energy: -43.019
Base-Backbone interact. energy: -0.571
local terms energy: -67.525867
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -14.031
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: -11.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -99.179626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.179626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.179626 (E_RNA)
where:
Base-Base interactions energy: -31.693
where: short stacking energy: -24.756
Base-Backbone interact. energy: -0.415
local terms energy: -67.072250
where:
bonds (distance) C4'-P energy: -16.976
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -10.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -101.481208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.481208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.481208 (E_RNA)
where:
Base-Base interactions energy: -42.843
where: short stacking energy: -36.549
Base-Backbone interact. energy: -0.000
local terms energy: -58.638179
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -12.532
flat angles C4'-P-C4' energy: -15.344
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -8.189
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: 456
Temperature: 1.300000
Total energy: -86.785620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.785620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.785620 (E_RNA)
where:
Base-Base interactions energy: -35.409
where: short stacking energy: -33.309
Base-Backbone interact. energy: -0.092
local terms energy: -51.285151
where:
bonds (distance) C4'-P energy: -9.201
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -14.929
flat angles P-C4'-P energy: -6.857
tors. eta vs tors. theta energy: -6.996
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: 1
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -78.555312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.555312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.555312 (E_RNA)
where:
Base-Base interactions energy: -24.848
where: short stacking energy: -23.208
Base-Backbone interact. energy: 0.529
local terms energy: -54.236761
where:
bonds (distance) C4'-P energy: -10.603
bonds (distance) P-C4' energy: -13.996
flat angles C4'-P-C4' energy: -14.546
flat angles P-C4'-P energy: -12.787
tors. eta vs tors. theta energy: -2.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -221.122118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.122118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.122118 (E_RNA)
where:
Base-Base interactions energy: -142.762
where: short stacking energy: -68.506
Base-Backbone interact. energy: -0.477
local terms energy: -77.883080
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -17.605
flat angles C4'-P-C4' energy: -17.846
flat angles P-C4'-P energy: -9.658
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: 2, replica: 5
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -214.855376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.855376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.855376 (E_RNA)
where:
Base-Base interactions energy: -139.201
where: short stacking energy: -69.616
Base-Backbone interact. energy: -0.042
local terms energy: -75.613122
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -15.603
flat angles P-C4'-P energy: -11.045
tors. eta vs tors. theta energy: -19.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -211.685674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.685674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.685674 (E_RNA)
where:
Base-Base interactions energy: -141.940
where: short stacking energy: -63.707
Base-Backbone interact. energy: -0.086
local terms energy: -69.659208
where:
bonds (distance) C4'-P energy: -9.715
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -16.005
flat angles P-C4'-P energy: -10.969
tors. eta vs tors. theta energy: -18.417
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: 6
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -191.098817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.098817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.098817 (E_RNA)
where:
Base-Base interactions energy: -116.795
where: short stacking energy: -62.616
Base-Backbone interact. energy: -0.086
local terms energy: -74.217901
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -15.269
flat angles P-C4'-P energy: -12.252
tors. eta vs tors. theta energy: -16.830
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: 5, replica: 2
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -205.245244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.245244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.245244 (E_RNA)
where:
Base-Base interactions energy: -131.158
where: short stacking energy: -63.927
Base-Backbone interact. energy: -0.039
local terms energy: -74.047854
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -15.436
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -17.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -102.063876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.063876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.063876 (E_RNA)
where:
Base-Base interactions energy: -50.939
where: short stacking energy: -46.442
Base-Backbone interact. energy: -0.065
local terms energy: -51.060001
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -8.528
flat angles C4'-P-C4' energy: -13.561
flat angles P-C4'-P energy: -7.317
tors. eta vs tors. theta energy: -9.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -137.949982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.949982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.949982 (E_RNA)
where:
Base-Base interactions energy: -84.736
where: short stacking energy: -45.525
Base-Backbone interact. energy: -0.105
local terms energy: -53.109190
where:
bonds (distance) C4'-P energy: -13.810
bonds (distance) P-C4' energy: -10.510
flat angles C4'-P-C4' energy: -10.001
flat angles P-C4'-P energy: -9.311
tors. eta vs tors. theta energy: -9.477
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: 3
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -80.892735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.892735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.892735 (E_RNA)
where:
Base-Base interactions energy: -26.229
where: short stacking energy: -26.229
Base-Backbone interact. energy: -0.057
local terms energy: -54.606026
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -11.700
flat angles C4'-P-C4' energy: -11.659
flat angles P-C4'-P energy: -12.349
tors. eta vs tors. theta energy: -7.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -85.668310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.668310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.668310 (E_RNA)
where:
Base-Base interactions energy: -39.916
where: short stacking energy: -29.033
Base-Backbone interact. energy: -0.135
local terms energy: -45.617183
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -14.893
flat angles C4'-P-C4' energy: -12.960
flat angles P-C4'-P energy: -5.283
tors. eta vs tors. theta energy: 0.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -81.503771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.503771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.503771 (E_RNA)
where:
Base-Base interactions energy: -28.741
where: short stacking energy: -19.403
Base-Backbone interact. energy: -0.470
local terms energy: -52.293151
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -15.109
flat angles C4'-P-C4' energy: -13.362
flat angles P-C4'-P energy: -5.345
tors. eta vs tors. theta energy: -4.196
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: 5
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -215.840157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.840157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.840157 (E_RNA)
where:
Base-Base interactions energy: -141.431
where: short stacking energy: -70.712
Base-Backbone interact. energy: -0.578
local terms energy: -73.831311
where:
bonds (distance) C4'-P energy: -11.772
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -18.091
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: -18.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -223.274322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.274322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.274322 (E_RNA)
where:
Base-Base interactions energy: -146.414
where: short stacking energy: -72.596
Base-Backbone interact. energy: -0.013
local terms energy: -76.847666
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -14.665
flat angles C4'-P-C4' energy: -17.938
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: -22.942
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: 6
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -213.567493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.567493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.567493 (E_RNA)
where:
Base-Base interactions energy: -140.427
where: short stacking energy: -71.506
Base-Backbone interact. energy: -0.250
local terms energy: -72.890440
where:
bonds (distance) C4'-P energy: -15.618
bonds (distance) P-C4' energy: -11.281
flat angles C4'-P-C4' energy: -14.813
flat angles P-C4'-P energy: -13.459
tors. eta vs tors. theta energy: -17.720
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: 458
Temperature: 1.050000
Total energy: -202.102459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.102459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.102459 (E_RNA)
where:
Base-Base interactions energy: -129.870
where: short stacking energy: -55.840
Base-Backbone interact. energy: -0.018
local terms energy: -72.214452
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -12.836
flat angles P-C4'-P energy: -12.314
tors. eta vs tors. theta energy: -14.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -202.618186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.618186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.618186 (E_RNA)
where:
Base-Base interactions energy: -137.921
where: short stacking energy: -68.893
Base-Backbone interact. energy: -0.114
local terms energy: -64.582271
where:
bonds (distance) C4'-P energy: -10.472
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -17.411
flat angles P-C4'-P energy: -3.247
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: 6, replica: 7
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -104.616824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.616824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.616824 (E_RNA)
where:
Base-Base interactions energy: -46.542
where: short stacking energy: -36.544
Base-Backbone interact. energy: -0.173
local terms energy: -57.902377
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -13.383
flat angles P-C4'-P energy: -9.651
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: 7, replica: 3
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -91.237461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.237461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.237461 (E_RNA)
where:
Base-Base interactions energy: -36.810
where: short stacking energy: -24.405
Base-Backbone interact. energy: -0.130
local terms energy: -54.297727
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -15.862
flat angles C4'-P-C4' energy: -13.350
flat angles P-C4'-P energy: -12.237
tors. eta vs tors. theta energy: -0.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -147.564816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.564816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.564816 (E_RNA)
where:
Base-Base interactions energy: -87.188
where: short stacking energy: -49.245
Base-Backbone interact. energy: 0.817
local terms energy: -61.193938
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -14.548
flat angles P-C4'-P energy: -5.170
tors. eta vs tors. theta energy: -13.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -78.849192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.849192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.849192 (E_RNA)
where:
Base-Base interactions energy: -27.404
where: short stacking energy: -27.404
Base-Backbone interact. energy: -0.095
local terms energy: -51.350497
where:
bonds (distance) C4'-P energy: -11.412
bonds (distance) P-C4' energy: -14.282
flat angles C4'-P-C4' energy: -12.725
flat angles P-C4'-P energy: -8.131
tors. eta vs tors. theta energy: -4.800
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: 10, replica: 9
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -77.349519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.349519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.349519 (E_RNA)
where:
Base-Base interactions energy: -29.407
where: short stacking energy: -28.754
Base-Backbone interact. energy: -0.064
local terms energy: -47.878224
where:
bonds (distance) C4'-P energy: -8.002
bonds (distance) P-C4' energy: -13.140
flat angles C4'-P-C4' energy: -14.678
flat angles P-C4'-P energy: -6.743
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: 1, replica: 5
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -221.550538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.550538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.550538 (E_RNA)
where:
Base-Base interactions energy: -143.613
where: short stacking energy: -72.450
Base-Backbone interact. energy: -0.001
local terms energy: -77.936701
where:
bonds (distance) C4'-P energy: -16.478
bonds (distance) P-C4' energy: -19.156
flat angles C4'-P-C4' energy: -12.944
flat angles P-C4'-P energy: -10.139
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: 6
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -215.273039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.273039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.273039 (E_RNA)
where:
Base-Base interactions energy: -137.502
where: short stacking energy: -72.208
Base-Backbone interact. energy: 1.262
local terms energy: -79.032921
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -18.024
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -13.084
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: 4
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -216.417041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.417041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.417041 (E_RNA)
where:
Base-Base interactions energy: -135.453
where: short stacking energy: -69.118
Base-Backbone interact. energy: -0.038
local terms energy: -80.925885
where:
bonds (distance) C4'-P energy: -16.918
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -17.528
flat angles P-C4'-P energy: -12.206
tors. eta vs tors. theta energy: -17.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -212.558170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.558170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.558170 (E_RNA)
where:
Base-Base interactions energy: -137.938
where: short stacking energy: -65.236
Base-Backbone interact. energy: -0.017
local terms energy: -74.602670
where:
bonds (distance) C4'-P energy: -11.497
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -12.350
tors. eta vs tors. theta energy: -20.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -204.074838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.074838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.074838 (E_RNA)
where:
Base-Base interactions energy: -134.007
where: short stacking energy: -62.572
Base-Backbone interact. energy: -0.139
local terms energy: -69.928534
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -11.844
tors. eta vs tors. theta energy: -15.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -90.837519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.837519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.837519 (E_RNA)
where:
Base-Base interactions energy: -43.286
where: short stacking energy: -30.528
Base-Backbone interact. energy: -0.346
local terms energy: -47.205051
where:
bonds (distance) C4'-P energy: -9.553
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -3.463
tors. eta vs tors. theta energy: -2.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -87.123448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.123448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.123448 (E_RNA)
where:
Base-Base interactions energy: -30.309
where: short stacking energy: -27.418
Base-Backbone interact. energy: 0.068
local terms energy: -56.881898
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -11.827
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: -8.918
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: 10
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -89.943418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.943418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.943418 (E_RNA)
where:
Base-Base interactions energy: -40.755
where: short stacking energy: -36.433
Base-Backbone interact. energy: -0.708
local terms energy: -48.480432
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -10.687
flat angles P-C4'-P energy: -3.379
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: 9, replica: 1
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -87.464872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.464872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.464872 (E_RNA)
where:
Base-Base interactions energy: -39.509
where: short stacking energy: -33.089
Base-Backbone interact. energy: -0.011
local terms energy: -47.945496
where:
bonds (distance) C4'-P energy: -7.181
bonds (distance) P-C4' energy: -14.344
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -9.253
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: 10, replica: 9
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -130.409984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.409984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.409984 (E_RNA)
where:
Base-Base interactions energy: -77.466
where: short stacking energy: -36.419
Base-Backbone interact. energy: -0.059
local terms energy: -52.884437
where:
bonds (distance) C4'-P energy: -11.204
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -5.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -223.644676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.644676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.644676 (E_RNA)
where:
Base-Base interactions energy: -138.680
where: short stacking energy: -75.196
Base-Backbone interact. energy: -0.097
local terms energy: -84.867937
where:
bonds (distance) C4'-P energy: -17.800
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -14.372
tors. eta vs tors. theta energy: -23.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -212.195401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.195401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.195401 (E_RNA)
where:
Base-Base interactions energy: -141.475
where: short stacking energy: -68.633
Base-Backbone interact. energy: -0.199
local terms energy: -70.521002
where:
bonds (distance) C4'-P energy: -9.295
bonds (distance) P-C4' energy: -15.891
flat angles C4'-P-C4' energy: -16.128
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: -18.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -213.463802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.463802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.463802 (E_RNA)
where:
Base-Base interactions energy: -138.837
where: short stacking energy: -65.790
Base-Backbone interact. energy: -1.276
local terms energy: -73.350535
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -16.355
flat angles P-C4'-P energy: -12.963
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: 4, replica: 4
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -200.869985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.869985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.869985 (E_RNA)
where:
Base-Base interactions energy: -131.269
where: short stacking energy: -67.711
Base-Backbone interact. energy: 0.824
local terms energy: -70.425225
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -15.318
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -19.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -197.180244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.180244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.180244 (E_RNA)
where:
Base-Base interactions energy: -131.397
where: short stacking energy: -58.774
Base-Backbone interact. energy: -0.146
local terms energy: -65.637053
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -11.810
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -8.561
tors. eta vs tors. theta energy: -17.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -105.550046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.550046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.550046 (E_RNA)
where:
Base-Base interactions energy: -48.467
where: short stacking energy: -30.034
Base-Backbone interact. energy: -0.098
local terms energy: -56.984189
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -10.048
flat angles C4'-P-C4' energy: -17.376
flat angles P-C4'-P energy: -8.007
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: 7, replica: 7
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -99.732042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.732042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.732042 (E_RNA)
where:
Base-Base interactions energy: -46.843
where: short stacking energy: -37.299
Base-Backbone interact. energy: -1.094
local terms energy: -51.795428
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -14.890
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -5.365
tors. eta vs tors. theta energy: -3.225
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: 10
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -87.357763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.357763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.357763 (E_RNA)
where:
Base-Base interactions energy: -43.151
where: short stacking energy: -33.065
Base-Backbone interact. energy: -0.072
local terms energy: -44.134984
where:
bonds (distance) C4'-P energy: -14.437
bonds (distance) P-C4' energy: -2.780
flat angles C4'-P-C4' energy: -11.809
flat angles P-C4'-P energy: -10.738
tors. eta vs tors. theta energy: -4.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -148.502410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.502410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.502410 (E_RNA)
where:
Base-Base interactions energy: -98.426
where: short stacking energy: -42.170
Base-Backbone interact. energy: -0.193
local terms energy: -49.883492
where:
bonds (distance) C4'-P energy: -12.236
bonds (distance) P-C4' energy: -11.673
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -4.079
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: 1
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -84.894209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.894209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.894209 (E_RNA)
where:
Base-Base interactions energy: -36.367
where: short stacking energy: -16.590
Base-Backbone interact. energy: -0.043
local terms energy: -48.484392
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -7.168
tors. eta vs tors. theta energy: -1.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -223.771689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.771689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.771689 (E_RNA)
where:
Base-Base interactions energy: -142.632
where: short stacking energy: -72.069
Base-Backbone interact. energy: 0.031
local terms energy: -81.170547
where:
bonds (distance) C4'-P energy: -11.358
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -13.815
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: 2, replica: 2
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -214.421098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.421098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.421098 (E_RNA)
where:
Base-Base interactions energy: -139.741
where: short stacking energy: -71.066
Base-Backbone interact. energy: -0.097
local terms energy: -74.583343
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -12.722
flat angles P-C4'-P energy: -13.027
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: 3, replica: 5
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -209.084170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.084170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.084170 (E_RNA)
where:
Base-Base interactions energy: -138.983
where: short stacking energy: -73.627
Base-Backbone interact. energy: -0.012
local terms energy: -70.088683
where:
bonds (distance) C4'-P energy: -8.019
bonds (distance) P-C4' energy: -14.847
flat angles C4'-P-C4' energy: -14.472
flat angles P-C4'-P energy: -12.035
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: 4, replica: 8
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -201.425553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.425553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.425553 (E_RNA)
where:
Base-Base interactions energy: -131.134
where: short stacking energy: -63.282
Base-Backbone interact. energy: -0.280
local terms energy: -70.011741
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -16.182
flat angles C4'-P-C4' energy: -12.981
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -15.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -202.006570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.006570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.006570 (E_RNA)
where:
Base-Base interactions energy: -123.313
where: short stacking energy: -71.989
Base-Backbone interact. energy: -0.002
local terms energy: -78.692239
where:
bonds (distance) C4'-P energy: -15.982
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -16.761
flat angles P-C4'-P energy: -9.850
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: 6, replica: 7
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -108.013931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.013931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.013931 (E_RNA)
where:
Base-Base interactions energy: -54.684
where: short stacking energy: -40.326
Base-Backbone interact. energy: -0.107
local terms energy: -53.222696
where:
bonds (distance) C4'-P energy: -10.690
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -8.877
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -7.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -91.590991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.590991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.590991 (E_RNA)
where:
Base-Base interactions energy: -31.561
where: short stacking energy: -26.995
Base-Backbone interact. energy: -0.040
local terms energy: -59.990123
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -6.473
tors. eta vs tors. theta energy: -7.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -81.525760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.525760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.525760 (E_RNA)
where:
Base-Base interactions energy: -26.072
where: short stacking energy: -25.552
Base-Backbone interact. energy: 0.609
local terms energy: -56.062985
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -14.936
flat angles C4'-P-C4' energy: -14.572
flat angles P-C4'-P energy: -6.137
tors. eta vs tors. theta energy: -6.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -81.687445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.687445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.687445 (E_RNA)
where:
Base-Base interactions energy: -33.073
where: short stacking energy: -25.844
Base-Backbone interact. energy: -0.130
local terms energy: -48.484142
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -12.341
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: 0.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -77.248947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.248947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.248947 (E_RNA)
where:
Base-Base interactions energy: -31.411
where: short stacking energy: -31.411
Base-Backbone interact. energy: -0.031
local terms energy: -45.806331
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -12.559
flat angles C4'-P-C4' energy: -12.236
flat angles P-C4'-P energy: -2.024
tors. eta vs tors. theta energy: -5.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -196.446870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.446870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.446870 (E_RNA)
where:
Base-Base interactions energy: -122.625
where: short stacking energy: -61.995
Base-Backbone interact. energy: -0.002
local terms energy: -73.820434
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -18.458
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: -13.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -218.430477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.430477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.430477 (E_RNA)
where:
Base-Base interactions energy: -138.250
where: short stacking energy: -70.102
Base-Backbone interact. energy: -0.061
local terms energy: -80.119557
where:
bonds (distance) C4'-P energy: -15.619
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -16.867
flat angles P-C4'-P energy: -10.472
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: 3, replica: 8
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -211.051043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.051043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.051043 (E_RNA)
where:
Base-Base interactions energy: -131.806
where: short stacking energy: -67.622
Base-Backbone interact. energy: -0.530
local terms energy: -78.714748
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -16.588
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -19.964
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: 462
Temperature: 1.050000
Total energy: -189.853980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.853980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.853980 (E_RNA)
where:
Base-Base interactions energy: -128.231
where: short stacking energy: -64.351
Base-Backbone interact. energy: -0.241
local terms energy: -61.381589
where:
bonds (distance) C4'-P energy: -7.768
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -16.298
flat angles P-C4'-P energy: -7.461
tors. eta vs tors. theta energy: -16.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -200.628658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.628658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.628658 (E_RNA)
where:
Base-Base interactions energy: -127.831
where: short stacking energy: -54.474
Base-Backbone interact. energy: -0.068
local terms energy: -72.730082
where:
bonds (distance) C4'-P energy: -15.680
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -9.879
tors. eta vs tors. theta energy: -13.559
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: 7
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -113.838434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.838434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.838434 (E_RNA)
where:
Base-Base interactions energy: -68.476
where: short stacking energy: -43.303
Base-Backbone interact. energy: -0.182
local terms energy: -45.179979
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -11.767
flat angles C4'-P-C4' energy: -11.485
flat angles P-C4'-P energy: -6.416
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: 7, replica: 10
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -101.232038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.232038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.232038 (E_RNA)
where:
Base-Base interactions energy: -47.465
where: short stacking energy: -37.326
Base-Backbone interact. energy: -0.109
local terms energy: -53.658209
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -8.852
flat angles C4'-P-C4' energy: -10.160
flat angles P-C4'-P energy: -13.159
tors. eta vs tors. theta energy: -7.893
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: 3
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -92.878890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.878890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.878890 (E_RNA)
where:
Base-Base interactions energy: -37.462
where: short stacking energy: -29.456
Base-Backbone interact. energy: -0.394
local terms energy: -55.023029
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -13.397
flat angles P-C4'-P energy: -9.168
tors. eta vs tors. theta energy: -2.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -78.095964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.095964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.095964 (E_RNA)
where:
Base-Base interactions energy: -28.434
where: short stacking energy: -26.074
Base-Backbone interact. energy: -0.127
local terms energy: -49.534195
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -9.466
flat angles C4'-P-C4' energy: -14.627
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: -2.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -70.161304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.161304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.161304 (E_RNA)
where:
Base-Base interactions energy: -18.952
where: short stacking energy: -18.952
Base-Backbone interact. energy: 0.736
local terms energy: -51.945837
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -13.779
flat angles P-C4'-P energy: -5.047
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: 2
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -214.895844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.895844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.895844 (E_RNA)
where:
Base-Base interactions energy: -133.476
where: short stacking energy: -66.241
Base-Backbone interact. energy: -0.497
local terms energy: -80.923728
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -14.389
flat angles P-C4'-P energy: -13.925
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: 2, replica: 6
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -213.023305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.023305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.023305 (E_RNA)
where:
Base-Base interactions energy: -134.142
where: short stacking energy: -70.946
Base-Backbone interact. energy: -0.000
local terms energy: -78.881103
where:
bonds (distance) C4'-P energy: -15.930
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: -11.740
tors. eta vs tors. theta energy: -20.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -206.791326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.791326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.791326 (E_RNA)
where:
Base-Base interactions energy: -139.105
where: short stacking energy: -73.389
Base-Backbone interact. energy: -0.176
local terms energy: -67.509710
where:
bonds (distance) C4'-P energy: -11.987
bonds (distance) P-C4' energy: -15.270
flat angles C4'-P-C4' energy: -12.181
flat angles P-C4'-P energy: -8.819
tors. eta vs tors. theta energy: -19.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -200.036260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.036260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.036260 (E_RNA)
where:
Base-Base interactions energy: -133.746
where: short stacking energy: -68.001
Base-Backbone interact. energy: -0.026
local terms energy: -66.263923
where:
bonds (distance) C4'-P energy: -11.516
bonds (distance) P-C4' energy: -13.962
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -8.341
tors. eta vs tors. theta energy: -16.268
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: 5, replica: 4
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -184.265066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.265066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.265066 (E_RNA)
where:
Base-Base interactions energy: -120.681
where: short stacking energy: -58.311
Base-Backbone interact. energy: -0.016
local terms energy: -63.567996
where:
bonds (distance) C4'-P energy: -10.182
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -14.842
flat angles P-C4'-P energy: -9.585
tors. eta vs tors. theta energy: -15.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -103.642035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.642035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.642035 (E_RNA)
where:
Base-Base interactions energy: -42.600
where: short stacking energy: -42.600
Base-Backbone interact. energy: -0.073
local terms energy: -60.968570
where:
bonds (distance) C4'-P energy: -11.690
bonds (distance) P-C4' energy: -17.056
flat angles C4'-P-C4' energy: -14.147
flat angles P-C4'-P energy: -7.567
tors. eta vs tors. theta energy: -10.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -86.321652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.321652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.321652 (E_RNA)
where:
Base-Base interactions energy: -30.239
where: short stacking energy: -27.066
Base-Backbone interact. energy: 0.114
local terms energy: -56.196636
where:
bonds (distance) C4'-P energy: -13.369
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: -2.677
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: 1
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -71.381460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.381460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.381460 (E_RNA)
where:
Base-Base interactions energy: -38.137
where: short stacking energy: -13.042
Base-Backbone interact. energy: 0.620
local terms energy: -33.863992
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -13.107
flat angles C4'-P-C4' energy: -4.309
flat angles P-C4'-P energy: -5.978
tors. eta vs tors. theta energy: 1.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -81.503388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.503388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.503388 (E_RNA)
where:
Base-Base interactions energy: -24.967
where: short stacking energy: -21.391
Base-Backbone interact. energy: -0.504
local terms energy: -56.032269
where:
bonds (distance) C4'-P energy: -14.764
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -14.463
flat angles P-C4'-P energy: -9.379
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: 9
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -67.060716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.060716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.060716 (E_RNA)
where:
Base-Base interactions energy: -25.681
where: short stacking energy: -23.237
Base-Backbone interact. energy: 0.810
local terms energy: -42.190415
where:
bonds (distance) C4'-P energy: -9.114
bonds (distance) P-C4' energy: -13.615
flat angles C4'-P-C4' energy: -9.464
flat angles P-C4'-P energy: -7.782
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: 1, replica: 2
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -221.601788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.601788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.601788 (E_RNA)
where:
Base-Base interactions energy: -140.779
where: short stacking energy: -71.500
Base-Backbone interact. energy: -0.004
local terms energy: -80.818577
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -15.279
flat angles C4'-P-C4' energy: -17.614
flat angles P-C4'-P energy: -12.311
tors. eta vs tors. theta energy: -20.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -220.181171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.181171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.181171 (E_RNA)
where:
Base-Base interactions energy: -142.806
where: short stacking energy: -75.498
Base-Backbone interact. energy: -0.063
local terms energy: -77.312062
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -9.581
tors. eta vs tors. theta energy: -20.346
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: 464
Temperature: 1.000000
Total energy: -207.759094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.759094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.759094 (E_RNA)
where:
Base-Base interactions energy: -139.793
where: short stacking energy: -70.381
Base-Backbone interact. energy: -0.004
local terms energy: -67.962238
where:
bonds (distance) C4'-P energy: -9.412
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -10.125
tors. eta vs tors. theta energy: -16.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -190.827202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.827202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.827202 (E_RNA)
where:
Base-Base interactions energy: -116.209
where: short stacking energy: -58.796
Base-Backbone interact. energy: -0.019
local terms energy: -74.599777
where:
bonds (distance) C4'-P energy: -12.398
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -11.482
tors. eta vs tors. theta energy: -18.996
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: 5, replica: 4
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -183.222457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.222457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.222457 (E_RNA)
where:
Base-Base interactions energy: -113.433
where: short stacking energy: -59.776
Base-Backbone interact. energy: -0.001
local terms energy: -69.788249
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -9.371
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: 10
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -110.619410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.619410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.619410 (E_RNA)
where:
Base-Base interactions energy: -65.402
where: short stacking energy: -31.684
Base-Backbone interact. energy: 2.056
local terms energy: -47.273590
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -11.968
flat angles P-C4'-P energy: -7.550
tors. eta vs tors. theta energy: -2.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -106.424895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.424895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.424895 (E_RNA)
where:
Base-Base interactions energy: -49.325
where: short stacking energy: -30.603
Base-Backbone interact. energy: -0.169
local terms energy: -56.930203
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -10.499
flat angles P-C4'-P energy: -12.275
tors. eta vs tors. theta energy: -6.996
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: 7
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -82.359141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.359141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.359141 (E_RNA)
where:
Base-Base interactions energy: -32.762
where: short stacking energy: -24.278
Base-Backbone interact. energy: 0.761
local terms energy: -50.358542
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -7.852
flat angles P-C4'-P energy: -6.970
tors. eta vs tors. theta energy: -3.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -95.916805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.916805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.916805 (E_RNA)
where:
Base-Base interactions energy: -47.075
where: short stacking energy: -31.467
Base-Backbone interact. energy: -0.417
local terms energy: -48.424874
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -12.524
flat angles C4'-P-C4' energy: -10.543
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -0.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -78.914781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.914781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.914781 (E_RNA)
where:
Base-Base interactions energy: -32.343
where: short stacking energy: -32.234
Base-Backbone interact. energy: -0.101
local terms energy: -46.470761
where:
bonds (distance) C4'-P energy: -5.029
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -15.145
flat angles P-C4'-P energy: -8.326
tors. eta vs tors. theta energy: -3.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -235.385687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.385687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.385687 (E_RNA)
where:
Base-Base interactions energy: -153.779
where: short stacking energy: -76.050
Base-Backbone interact. energy: -0.225
local terms energy: -81.382061
where:
bonds (distance) C4'-P energy: -12.246
bonds (distance) P-C4' energy: -16.881
flat angles C4'-P-C4' energy: -17.039
flat angles P-C4'-P energy: -13.228
tors. eta vs tors. theta energy: -21.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -203.552704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.552704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.552704 (E_RNA)
where:
Base-Base interactions energy: -132.184
where: short stacking energy: -65.489
Base-Backbone interact. energy: -0.003
local terms energy: -71.365616
where:
bonds (distance) C4'-P energy: -9.707
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -12.122
tors. eta vs tors. theta energy: -17.554
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: 5
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -203.357203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.357203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.357203 (E_RNA)
where:
Base-Base interactions energy: -136.098
where: short stacking energy: -59.123
Base-Backbone interact. energy: -0.443
local terms energy: -66.816236
where:
bonds (distance) C4'-P energy: -10.291
bonds (distance) P-C4' energy: -16.727
flat angles C4'-P-C4' energy: -13.953
flat angles P-C4'-P energy: -11.381
tors. eta vs tors. theta energy: -14.463
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: 4, replica: 4
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -187.842517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.842517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.842517 (E_RNA)
where:
Base-Base interactions energy: -125.676
where: short stacking energy: -56.159
Base-Backbone interact. energy: -0.217
local terms energy: -61.949261
where:
bonds (distance) C4'-P energy: -11.006
bonds (distance) P-C4' energy: -14.168
flat angles C4'-P-C4' energy: -14.738
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: -10.756
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: 8
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -180.728377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.728377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.728377 (E_RNA)
where:
Base-Base interactions energy: -123.239
where: short stacking energy: -54.239
Base-Backbone interact. energy: 0.483
local terms energy: -57.972380
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -12.900
flat angles C4'-P-C4' energy: -11.952
flat angles P-C4'-P energy: -11.410
tors. eta vs tors. theta energy: -8.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -93.067560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.067560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.067560 (E_RNA)
where:
Base-Base interactions energy: -36.676
where: short stacking energy: -33.276
Base-Backbone interact. energy: -0.090
local terms energy: -56.301530
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -15.091
flat angles C4'-P-C4' energy: -11.826
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: -7.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -100.661613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.661613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.661613 (E_RNA)
where:
Base-Base interactions energy: -43.462
where: short stacking energy: -26.605
Base-Backbone interact. energy: -0.060
local terms energy: -57.139401
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -15.289
flat angles P-C4'-P energy: -4.736
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: 8, replica: 9
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -80.651060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.651060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.651060 (E_RNA)
where:
Base-Base interactions energy: -27.021
where: short stacking energy: -27.021
Base-Backbone interact. energy: -0.333
local terms energy: -53.296833
where:
bonds (distance) C4'-P energy: -12.644
bonds (distance) P-C4' energy: -13.330
flat angles C4'-P-C4' energy: -13.251
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: -5.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -83.209493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.209493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.209493 (E_RNA)
where:
Base-Base interactions energy: -30.330
where: short stacking energy: -22.784
Base-Backbone interact. energy: -0.097
local terms energy: -52.782943
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -10.872
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: -2.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -72.542000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.542000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.542000 (E_RNA)
where:
Base-Base interactions energy: -21.421
where: short stacking energy: -21.421
Base-Backbone interact. energy: -0.110
local terms energy: -51.011774
where:
bonds (distance) C4'-P energy: -8.894
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -12.632
flat angles P-C4'-P energy: -8.756
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: 1, replica: 2
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -225.426365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.426365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.426365 (E_RNA)
where:
Base-Base interactions energy: -141.057
where: short stacking energy: -68.972
Base-Backbone interact. energy: -0.018
local terms energy: -84.351592
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -18.213
flat angles P-C4'-P energy: -13.110
tors. eta vs tors. theta energy: -19.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -195.693148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.693148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.693148 (E_RNA)
where:
Base-Base interactions energy: -128.777
where: short stacking energy: -58.439
Base-Backbone interact. energy: -0.007
local terms energy: -66.908283
where:
bonds (distance) C4'-P energy: -11.406
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -16.607
flat angles P-C4'-P energy: -8.949
tors. eta vs tors. theta energy: -13.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -212.330486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.330486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.330486 (E_RNA)
where:
Base-Base interactions energy: -133.716
where: short stacking energy: -67.159
Base-Backbone interact. energy: -0.005
local terms energy: -78.609840
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -16.217
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -13.820
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: 4, replica: 4
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -187.567047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.567047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.567047 (E_RNA)
where:
Base-Base interactions energy: -117.975
where: short stacking energy: -57.189
Base-Backbone interact. energy: -0.391
local terms energy: -69.200444
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -15.910
flat angles P-C4'-P energy: -7.581
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: 5, replica: 8
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -182.999243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.999243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.999243 (E_RNA)
where:
Base-Base interactions energy: -122.768
where: short stacking energy: -59.953
Base-Backbone interact. energy: -0.124
local terms energy: -60.107051
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -7.365
flat angles P-C4'-P energy: -9.742
tors. eta vs tors. theta energy: -15.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -110.755003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.755003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.755003 (E_RNA)
where:
Base-Base interactions energy: -42.097
where: short stacking energy: -33.279
Base-Backbone interact. energy: -2.530
local terms energy: -66.128343
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -10.298
flat angles P-C4'-P energy: -11.270
tors. eta vs tors. theta energy: -10.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -90.622982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.622982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.622982 (E_RNA)
where:
Base-Base interactions energy: -39.896
where: short stacking energy: -38.281
Base-Backbone interact. energy: 0.324
local terms energy: -51.051799
where:
bonds (distance) C4'-P energy: -5.431
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -12.559
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -9.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -83.909696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.909696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.909696 (E_RNA)
where:
Base-Base interactions energy: -44.728
where: short stacking energy: -32.378
Base-Backbone interact. energy: -0.338
local terms energy: -38.843736
where:
bonds (distance) C4'-P energy: -8.857
bonds (distance) P-C4' energy: -11.606
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -5.828
tors. eta vs tors. theta energy: 1.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -80.468090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.468090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.468090 (E_RNA)
where:
Base-Base interactions energy: -32.542
where: short stacking energy: -32.542
Base-Backbone interact. energy: 3.007
local terms energy: -50.933495
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -11.276
flat angles C4'-P-C4' energy: -14.056
flat angles P-C4'-P energy: -6.714
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: 10, replica: 7
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -87.585118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.585118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.585118 (E_RNA)
where:
Base-Base interactions energy: -44.298
where: short stacking energy: -29.082
Base-Backbone interact. energy: 0.129
local terms energy: -43.415293
where:
bonds (distance) C4'-P energy: -12.467
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -10.891
flat angles P-C4'-P energy: -12.078
tors. eta vs tors. theta energy: 4.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -221.977536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.977536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.977536 (E_RNA)
where:
Base-Base interactions energy: -141.474
where: short stacking energy: -75.044
Base-Backbone interact. energy: -0.001
local terms energy: -80.502857
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -15.339
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: -21.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -213.524852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.524852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.524852 (E_RNA)
where:
Base-Base interactions energy: -141.690
where: short stacking energy: -73.036
Base-Backbone interact. energy: -0.706
local terms energy: -71.128950
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -11.832
flat angles P-C4'-P energy: -13.188
tors. eta vs tors. theta energy: -15.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -206.612904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.612904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.612904 (E_RNA)
where:
Base-Base interactions energy: -134.248
where: short stacking energy: -66.850
Base-Backbone interact. energy: -0.094
local terms energy: -72.270997
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -13.348
flat angles C4'-P-C4' energy: -14.174
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: -20.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -184.958737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.958737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.958737 (E_RNA)
where:
Base-Base interactions energy: -121.779
where: short stacking energy: -57.186
Base-Backbone interact. energy: -0.278
local terms energy: -62.901810
where:
bonds (distance) C4'-P energy: -9.779
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -9.626
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: -15.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -191.986738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.986738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.986738 (E_RNA)
where:
Base-Base interactions energy: -126.544
where: short stacking energy: -67.176
Base-Backbone interact. energy: 0.389
local terms energy: -65.831176
where:
bonds (distance) C4'-P energy: -12.726
bonds (distance) P-C4' energy: -15.383
flat angles C4'-P-C4' energy: -10.372
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -17.566
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: 6, replica: 9
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -117.526486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.526486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.526486 (E_RNA)
where:
Base-Base interactions energy: -49.627
where: short stacking energy: -47.331
Base-Backbone interact. energy: -0.248
local terms energy: -67.650922
where:
bonds (distance) C4'-P energy: -13.640
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -11.375
flat angles P-C4'-P energy: -11.479
tors. eta vs tors. theta energy: -15.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -86.867600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.867600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.867600 (E_RNA)
where:
Base-Base interactions energy: -25.957
where: short stacking energy: -25.957
Base-Backbone interact. energy: -0.027
local terms energy: -60.883734
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -7.210
tors. eta vs tors. theta energy: -7.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -93.662774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.662774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.662774 (E_RNA)
where:
Base-Base interactions energy: -39.523
where: short stacking energy: -33.581
Base-Backbone interact. energy: -0.610
local terms energy: -53.530496
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -14.915
flat angles C4'-P-C4' energy: -13.779
flat angles P-C4'-P energy: -9.075
tors. eta vs tors. theta energy: -3.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -84.575974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.575974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.575974 (E_RNA)
where:
Base-Base interactions energy: -28.656
where: short stacking energy: -28.075
Base-Backbone interact. energy: -0.338
local terms energy: -55.582893
where:
bonds (distance) C4'-P energy: -12.135
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -11.565
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -6.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -77.355283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.355283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.355283 (E_RNA)
where:
Base-Base interactions energy: -29.130
where: short stacking energy: -29.130
Base-Backbone interact. energy: -0.166
local terms energy: -48.059279
where:
bonds (distance) C4'-P energy: -12.661
bonds (distance) P-C4' energy: -14.432
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -6.896
tors. eta vs tors. theta energy: -0.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -221.631767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.631767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.631767 (E_RNA)
where:
Base-Base interactions energy: -141.488
where: short stacking energy: -71.526
Base-Backbone interact. energy: -0.024
local terms energy: -80.119658
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -16.818
flat angles P-C4'-P energy: -12.199
tors. eta vs tors. theta energy: -22.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -213.679678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.679678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.679678 (E_RNA)
where:
Base-Base interactions energy: -132.968
where: short stacking energy: -69.223
Base-Backbone interact. energy: -0.012
local terms energy: -80.700079
where:
bonds (distance) C4'-P energy: -16.930
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -16.930
flat angles P-C4'-P energy: -9.862
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: 3, replica: 6
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -203.502373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.502373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.502373 (E_RNA)
where:
Base-Base interactions energy: -135.885
where: short stacking energy: -63.725
Base-Backbone interact. energy: -0.015
local terms energy: -67.602563
where:
bonds (distance) C4'-P energy: -11.140
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -13.044
flat angles P-C4'-P energy: -10.736
tors. eta vs tors. theta energy: -17.075
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: 4
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -183.313928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.313928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.313928 (E_RNA)
where:
Base-Base interactions energy: -118.927
where: short stacking energy: -53.828
Base-Backbone interact. energy: -0.103
local terms energy: -64.284090
where:
bonds (distance) C4'-P energy: -10.481
bonds (distance) P-C4' energy: -15.887
flat angles C4'-P-C4' energy: -17.515
flat angles P-C4'-P energy: -6.248
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: 5, replica: 8
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -184.196579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.196579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.196579 (E_RNA)
where:
Base-Base interactions energy: -119.432
where: short stacking energy: -60.328
Base-Backbone interact. energy: -0.097
local terms energy: -64.667377
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -12.433
flat angles P-C4'-P energy: -9.512
tors. eta vs tors. theta energy: -13.905
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: 9
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -90.170511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.170511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.170511 (E_RNA)
where:
Base-Base interactions energy: -34.851
where: short stacking energy: -23.104
Base-Backbone interact. energy: -0.107
local terms energy: -55.212760
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -15.007
flat angles P-C4'-P energy: -9.571
tors. eta vs tors. theta energy: -1.484
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: 3
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -83.788773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.788773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.788773 (E_RNA)
where:
Base-Base interactions energy: -30.273
where: short stacking energy: -30.273
Base-Backbone interact. energy: -0.058
local terms energy: -53.458228
where:
bonds (distance) C4'-P energy: -12.709
bonds (distance) P-C4' energy: -14.129
flat angles C4'-P-C4' energy: -14.418
flat angles P-C4'-P energy: -5.677
tors. eta vs tors. theta energy: -6.525
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: 468
Temperature: 1.250000
Total energy: -97.760624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.760624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.760624 (E_RNA)
where:
Base-Base interactions energy: -37.000
where: short stacking energy: -30.003
Base-Backbone interact. energy: 0.430
local terms energy: -61.190613
where:
bonds (distance) C4'-P energy: -16.451
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -13.028
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: -5.721
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: 9, replica: 7
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -87.954944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.954944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.954944 (E_RNA)
where:
Base-Base interactions energy: -36.501
where: short stacking energy: -34.836
Base-Backbone interact. energy: -0.148
local terms energy: -51.306740
where:
bonds (distance) C4'-P energy: -9.326
bonds (distance) P-C4' energy: -13.284
flat angles C4'-P-C4' energy: -12.313
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -7.341
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: 10
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -76.558758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.558758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.558758 (E_RNA)
where:
Base-Base interactions energy: -24.189
where: short stacking energy: -24.189
Base-Backbone interact. energy: -0.093
local terms energy: -52.277452
where:
bonds (distance) C4'-P energy: -11.861
bonds (distance) P-C4' energy: -10.708
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -10.004
tors. eta vs tors. theta energy: -5.776
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: 5
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -217.711455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.711455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.711455 (E_RNA)
where:
Base-Base interactions energy: -140.792
where: short stacking energy: -66.963
Base-Backbone interact. energy: -0.034
local terms energy: -76.885203
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -15.063
flat angles P-C4'-P energy: -11.690
tors. eta vs tors. theta energy: -17.374
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: 6
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -201.380327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.380327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.380327 (E_RNA)
where:
Base-Base interactions energy: -123.028
where: short stacking energy: -60.520
Base-Backbone interact. energy: -0.118
local terms energy: -78.234396
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -15.229
flat angles P-C4'-P energy: -13.818
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: 3, replica: 2
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -210.803099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.803099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.803099 (E_RNA)
where:
Base-Base interactions energy: -128.162
where: short stacking energy: -63.709
Base-Backbone interact. energy: -0.576
local terms energy: -82.064705
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -16.821
flat angles P-C4'-P energy: -14.205
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: 4
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -196.632280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.632280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.632280 (E_RNA)
where:
Base-Base interactions energy: -129.687
where: short stacking energy: -62.031
Base-Backbone interact. energy: -0.202
local terms energy: -66.743005
where:
bonds (distance) C4'-P energy: -11.006
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -9.311
flat angles P-C4'-P energy: -10.539
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: 8
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -189.572891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.572891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.572891 (E_RNA)
where:
Base-Base interactions energy: -118.944
where: short stacking energy: -62.792
Base-Backbone interact. energy: 0.151
local terms energy: -70.779992
where:
bonds (distance) C4'-P energy: -12.653
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -16.487
flat angles P-C4'-P energy: -9.654
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: 9
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -102.281877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.281877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.281877 (E_RNA)
where:
Base-Base interactions energy: -39.829
where: short stacking energy: -29.276
Base-Backbone interact. energy: -0.171
local terms energy: -62.281948
where:
bonds (distance) C4'-P energy: -12.684
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -12.881
tors. eta vs tors. theta energy: -7.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -91.324268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.324268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.324268 (E_RNA)
where:
Base-Base interactions energy: -37.809
where: short stacking energy: -32.157
Base-Backbone interact. energy: -0.177
local terms energy: -53.337474
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -11.264
flat angles C4'-P-C4' energy: -11.306
flat angles P-C4'-P energy: -11.411
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: 8, replica: 7
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -85.199346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.199346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.199346 (E_RNA)
where:
Base-Base interactions energy: -34.792
where: short stacking energy: -31.122
Base-Backbone interact. energy: -0.087
local terms energy: -50.320946
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -11.316
flat angles P-C4'-P energy: -7.754
tors. eta vs tors. theta energy: -1.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -77.634328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.634328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.634328 (E_RNA)
where:
Base-Base interactions energy: -24.796
where: short stacking energy: -20.975
Base-Backbone interact. energy: -0.319
local terms energy: -52.519879
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -13.432
flat angles C4'-P-C4' energy: -12.293
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: -2.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -74.123031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.123031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.123031 (E_RNA)
where:
Base-Base interactions energy: -27.299
where: short stacking energy: -25.411
Base-Backbone interact. energy: 1.165
local terms energy: -47.988514
where:
bonds (distance) C4'-P energy: -16.616
bonds (distance) P-C4' energy: -12.875
flat angles C4'-P-C4' energy: -12.017
flat angles P-C4'-P energy: -5.542
tors. eta vs tors. theta energy: -0.939
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: 1, replica: 5
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -214.508171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.508171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.508171 (E_RNA)
where:
Base-Base interactions energy: -141.921
where: short stacking energy: -64.727
Base-Backbone interact. energy: -0.715
local terms energy: -71.871808
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -10.084
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: 2, replica: 6
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -210.253968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.253968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.253968 (E_RNA)
where:
Base-Base interactions energy: -137.706
where: short stacking energy: -66.902
Base-Backbone interact. energy: -0.312
local terms energy: -72.236835
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -13.265
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -10.576
tors. eta vs tors. theta energy: -18.437
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: 470
Temperature: 1.000000
Total energy: -209.338034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.338034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.338034 (E_RNA)
where:
Base-Base interactions energy: -131.117
where: short stacking energy: -54.961
Base-Backbone interact. energy: -0.108
local terms energy: -78.112749
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -18.349
flat angles P-C4'-P energy: -12.422
tors. eta vs tors. theta energy: -16.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -193.752609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.752609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.752609 (E_RNA)
where:
Base-Base interactions energy: -120.438
where: short stacking energy: -58.769
Base-Backbone interact. energy: -0.125
local terms energy: -73.189459
where:
bonds (distance) C4'-P energy: -12.958
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -15.863
flat angles P-C4'-P energy: -9.190
tors. eta vs tors. theta energy: -18.144
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: 8
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -173.094626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.094626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.094626 (E_RNA)
where:
Base-Base interactions energy: -107.592
where: short stacking energy: -54.768
Base-Backbone interact. energy: 0.755
local terms energy: -66.257771
where:
bonds (distance) C4'-P energy: -15.550
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -10.858
flat angles P-C4'-P energy: -13.042
tors. eta vs tors. theta energy: -14.583
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: 6, replica: 9
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -94.103137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.103137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.103137 (E_RNA)
where:
Base-Base interactions energy: -39.191
where: short stacking energy: -35.258
Base-Backbone interact. energy: -0.541
local terms energy: -54.370731
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: -5.714
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: 7, replica: 3
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -90.765959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.765959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.765959 (E_RNA)
where:
Base-Base interactions energy: -39.914
where: short stacking energy: -39.914
Base-Backbone interact. energy: -0.021
local terms energy: -50.830773
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -8.681
flat angles C4'-P-C4' energy: -13.706
flat angles P-C4'-P energy: -7.113
tors. eta vs tors. theta energy: -7.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -84.311699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.311699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.311699 (E_RNA)
where:
Base-Base interactions energy: -33.856
where: short stacking energy: -30.802
Base-Backbone interact. energy: 0.041
local terms energy: -50.496600
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -11.823
flat angles C4'-P-C4' energy: -11.302
flat angles P-C4'-P energy: -10.667
tors. eta vs tors. theta energy: -3.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -74.946778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.946778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.946778 (E_RNA)
where:
Base-Base interactions energy: -33.578
where: short stacking energy: -29.096
Base-Backbone interact. energy: 0.897
local terms energy: -42.265479
where:
bonds (distance) C4'-P energy: -11.597
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -10.069
flat angles P-C4'-P energy: -4.337
tors. eta vs tors. theta energy: 0.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -84.488928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.488928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.488928 (E_RNA)
where:
Base-Base interactions energy: -38.336
where: short stacking energy: -33.361
Base-Backbone interact. energy: 0.936
local terms energy: -47.089338
where:
bonds (distance) C4'-P energy: -8.252
bonds (distance) P-C4' energy: -14.629
flat angles C4'-P-C4' energy: -10.970
flat angles P-C4'-P energy: -9.451
tors. eta vs tors. theta energy: -3.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -222.583990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.583990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.583990 (E_RNA)
where:
Base-Base interactions energy: -143.433
where: short stacking energy: -76.993
Base-Backbone interact. energy: -0.193
local terms energy: -78.958348
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -16.608
flat angles P-C4'-P energy: -9.225
tors. eta vs tors. theta energy: -23.012
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: 6
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -216.231624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.231624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.231624 (E_RNA)
where:
Base-Base interactions energy: -135.996
where: short stacking energy: -65.805
Base-Backbone interact. energy: -0.380
local terms energy: -79.855030
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -17.514
flat angles P-C4'-P energy: -11.661
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: 3, replica: 4
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -212.459113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.459113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.459113 (E_RNA)
where:
Base-Base interactions energy: -138.336
where: short stacking energy: -67.490
Base-Backbone interact. energy: -0.011
local terms energy: -74.112414
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -14.708
flat angles C4'-P-C4' energy: -17.802
flat angles P-C4'-P energy: -12.734
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: 4, replica: 2
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -201.169395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.169395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.169395 (E_RNA)
where:
Base-Base interactions energy: -139.515
where: short stacking energy: -61.673
Base-Backbone interact. energy: -0.146
local terms energy: -61.507895
where:
bonds (distance) C4'-P energy: -13.683
bonds (distance) P-C4' energy: -10.097
flat angles C4'-P-C4' energy: -16.995
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -12.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -170.163987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.163987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.163987 (E_RNA)
where:
Base-Base interactions energy: -102.561
where: short stacking energy: -44.064
Base-Backbone interact. energy: -0.045
local terms energy: -67.557224
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -9.192
tors. eta vs tors. theta energy: -15.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -95.943191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.943191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.943191 (E_RNA)
where:
Base-Base interactions energy: -39.461
where: short stacking energy: -36.035
Base-Backbone interact. energy: -0.138
local terms energy: -56.343235
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -16.601
flat angles C4'-P-C4' energy: -13.559
flat angles P-C4'-P energy: -4.753
tors. eta vs tors. theta energy: -6.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -95.434590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.434590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.434590 (E_RNA)
where:
Base-Base interactions energy: -49.149
where: short stacking energy: -34.705
Base-Backbone interact. energy: 0.870
local terms energy: -47.154981
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -9.962
flat angles C4'-P-C4' energy: -15.025
flat angles P-C4'-P energy: -5.940
tors. eta vs tors. theta energy: -3.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -84.783865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.783865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.783865 (E_RNA)
where:
Base-Base interactions energy: -39.883
where: short stacking energy: -34.451
Base-Backbone interact. energy: -0.374
local terms energy: -44.526962
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -9.233
flat angles C4'-P-C4' energy: -13.466
flat angles P-C4'-P energy: -2.543
tors. eta vs tors. theta energy: -5.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -85.092853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.092853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.092853 (E_RNA)
where:
Base-Base interactions energy: -36.421
where: short stacking energy: -29.974
Base-Backbone interact. energy: 0.439
local terms energy: -49.110916
where:
bonds (distance) C4'-P energy: -15.909
bonds (distance) P-C4' energy: -13.949
flat angles C4'-P-C4' energy: -12.304
flat angles P-C4'-P energy: -7.536
tors. eta vs tors. theta energy: 0.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -77.394277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.394277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.394277 (E_RNA)
where:
Base-Base interactions energy: -29.698
where: short stacking energy: -26.566
Base-Backbone interact. energy: -0.110
local terms energy: -47.586094
where:
bonds (distance) C4'-P energy: -9.450
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -10.664
flat angles P-C4'-P energy: -9.234
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: 1, replica: 6
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -218.115923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.115923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.115923 (E_RNA)
where:
Base-Base interactions energy: -142.068
where: short stacking energy: -73.328
Base-Backbone interact. energy: -0.289
local terms energy: -75.759674
where:
bonds (distance) C4'-P energy: -12.065
bonds (distance) P-C4' energy: -17.517
flat angles C4'-P-C4' energy: -17.871
flat angles P-C4'-P energy: -8.039
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: 2, replica: 5
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -218.423825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.423825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.423825 (E_RNA)
where:
Base-Base interactions energy: -142.813
where: short stacking energy: -72.468
Base-Backbone interact. energy: -0.080
local terms energy: -75.531527
where:
bonds (distance) C4'-P energy: -11.712
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -15.881
flat angles P-C4'-P energy: -11.570
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: 3, replica: 4
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -203.686250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.686250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.686250 (E_RNA)
where:
Base-Base interactions energy: -129.773
where: short stacking energy: -61.528
Base-Backbone interact. energy: -0.011
local terms energy: -73.902335
where:
bonds (distance) C4'-P energy: -12.579
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -11.296
tors. eta vs tors. theta energy: -18.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -193.235924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.235924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.235924 (E_RNA)
where:
Base-Base interactions energy: -125.718
where: short stacking energy: -54.785
Base-Backbone interact. energy: -0.444
local terms energy: -67.074316
where:
bonds (distance) C4'-P energy: -12.749
bonds (distance) P-C4' energy: -11.744
flat angles C4'-P-C4' energy: -15.783
flat angles P-C4'-P energy: -6.859
tors. eta vs tors. theta energy: -19.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -157.643824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.643824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.643824 (E_RNA)
where:
Base-Base interactions energy: -96.204
where: short stacking energy: -45.467
Base-Backbone interact. energy: -0.217
local terms energy: -61.222937
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -9.542
flat angles P-C4'-P energy: -10.974
tors. eta vs tors. theta energy: -14.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -98.943185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.943185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.943185 (E_RNA)
where:
Base-Base interactions energy: -46.232
where: short stacking energy: -30.368
Base-Backbone interact. energy: -0.516
local terms energy: -52.194992
where:
bonds (distance) C4'-P energy: -10.188
bonds (distance) P-C4' energy: -13.122
flat angles C4'-P-C4' energy: -11.600
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: -7.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -94.913608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.913608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.913608 (E_RNA)
where:
Base-Base interactions energy: -41.488
where: short stacking energy: -35.068
Base-Backbone interact. energy: -0.368
local terms energy: -53.056786
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -12.141
flat angles C4'-P-C4' energy: -13.738
flat angles P-C4'-P energy: -6.430
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: 8, replica: 10
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -85.383753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.383753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.383753 (E_RNA)
where:
Base-Base interactions energy: -35.762
where: short stacking energy: -23.759
Base-Backbone interact. energy: -0.016
local terms energy: -49.605197
where:
bonds (distance) C4'-P energy: -9.677
bonds (distance) P-C4' energy: -12.756
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -7.541
tors. eta vs tors. theta energy: -4.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -75.148134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.148134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.148134 (E_RNA)
where:
Base-Base interactions energy: -31.652
where: short stacking energy: -30.845
Base-Backbone interact. energy: -0.050
local terms energy: -43.445861
where:
bonds (distance) C4'-P energy: -13.718
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -12.172
flat angles P-C4'-P energy: 0.040
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: 10, replica: 7
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -80.864898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.864898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.864898 (E_RNA)
where:
Base-Base interactions energy: -27.432
where: short stacking energy: -25.232
Base-Backbone interact. energy: -0.175
local terms energy: -53.258098
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -5.068
tors. eta vs tors. theta energy: -2.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -221.590244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.590244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.590244 (E_RNA)
where:
Base-Base interactions energy: -138.856
where: short stacking energy: -77.579
Base-Backbone interact. energy: -0.060
local terms energy: -82.673515
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -13.032
tors. eta vs tors. theta energy: -22.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -219.023852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.023852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.023852 (E_RNA)
where:
Base-Base interactions energy: -148.185
where: short stacking energy: -68.135
Base-Backbone interact. energy: -0.093
local terms energy: -70.746122
where:
bonds (distance) C4'-P energy: -10.531
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -9.592
tors. eta vs tors. theta energy: -18.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -206.173365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.173365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.173365 (E_RNA)
where:
Base-Base interactions energy: -133.755
where: short stacking energy: -67.106
Base-Backbone interact. energy: -0.001
local terms energy: -72.417113
where:
bonds (distance) C4'-P energy: -18.056
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -14.137
flat angles P-C4'-P energy: -7.338
tors. eta vs tors. theta energy: -18.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -196.925860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.925860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.925860 (E_RNA)
where:
Base-Base interactions energy: -125.093
where: short stacking energy: -71.450
Base-Backbone interact. energy: -0.044
local terms energy: -71.789513
where:
bonds (distance) C4'-P energy: -14.756
bonds (distance) P-C4' energy: -12.123
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -8.726
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: 5, replica: 8
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -158.386338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.386338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.386338 (E_RNA)
where:
Base-Base interactions energy: -101.891
where: short stacking energy: -45.187
Base-Backbone interact. energy: -0.854
local terms energy: -55.641002
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -12.234
flat angles C4'-P-C4' energy: -13.361
flat angles P-C4'-P energy: -6.892
tors. eta vs tors. theta energy: -10.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -91.419873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.419873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.419873 (E_RNA)
where:
Base-Base interactions energy: -39.692
where: short stacking energy: -26.097
Base-Backbone interact. energy: -0.375
local terms energy: -51.353402
where:
bonds (distance) C4'-P energy: -10.336
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -9.333
flat angles P-C4'-P energy: -12.627
tors. eta vs tors. theta energy: -2.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -92.740394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.740394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.740394 (E_RNA)
where:
Base-Base interactions energy: -43.241
where: short stacking energy: -38.523
Base-Backbone interact. energy: -0.010
local terms energy: -49.489184
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -11.713
flat angles C4'-P-C4' energy: -11.117
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: -3.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -81.807835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.807835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.807835 (E_RNA)
where:
Base-Base interactions energy: -30.870
where: short stacking energy: -20.932
Base-Backbone interact. energy: 0.261
local terms energy: -51.199382
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -10.329
flat angles P-C4'-P energy: -8.500
tors. eta vs tors. theta energy: -1.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -84.451556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.451556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.451556 (E_RNA)
where:
Base-Base interactions energy: -38.432
where: short stacking energy: -39.132
Base-Backbone interact. energy: -0.110
local terms energy: -45.909749
where:
bonds (distance) C4'-P energy: -11.901
bonds (distance) P-C4' energy: -12.427
flat angles C4'-P-C4' energy: -12.036
flat angles P-C4'-P energy: -4.315
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: 7
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -83.983653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.983653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.983653 (E_RNA)
where:
Base-Base interactions energy: -34.408
where: short stacking energy: -34.408
Base-Backbone interact. energy: -0.125
local terms energy: -49.450848
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -16.165
flat angles C4'-P-C4' energy: -8.434
flat angles P-C4'-P energy: -10.713
tors. eta vs tors. theta energy: -2.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -218.637782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.637782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.637782 (E_RNA)
where:
Base-Base interactions energy: -137.936
where: short stacking energy: -72.562
Base-Backbone interact. energy: -0.008
local terms energy: -80.693775
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -17.842
flat angles P-C4'-P energy: -12.381
tors. eta vs tors. theta energy: -22.286
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: 6
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -202.264818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.264818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.264818 (E_RNA)
where:
Base-Base interactions energy: -132.932
where: short stacking energy: -67.283
Base-Backbone interact. energy: -0.002
local terms energy: -69.330965
where:
bonds (distance) C4'-P energy: -12.235
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -17.201
flat angles P-C4'-P energy: -10.664
tors. eta vs tors. theta energy: -14.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -212.117849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.117849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.117849 (E_RNA)
where:
Base-Base interactions energy: -136.020
where: short stacking energy: -72.977
Base-Backbone interact. energy: -0.918
local terms energy: -75.179718
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -10.866
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -12.698
tors. eta vs tors. theta energy: -21.088
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: 4, replica: 2
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -208.317328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.317328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.317328 (E_RNA)
where:
Base-Base interactions energy: -143.076
where: short stacking energy: -65.689
Base-Backbone interact. energy: 0.183
local terms energy: -65.424602
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -11.574
flat angles C4'-P-C4' energy: -11.814
flat angles P-C4'-P energy: -6.570
tors. eta vs tors. theta energy: -19.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -168.786211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.786211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.786211 (E_RNA)
where:
Base-Base interactions energy: -109.129
where: short stacking energy: -41.556
Base-Backbone interact. energy: -0.455
local terms energy: -59.202037
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -6.429
tors. eta vs tors. theta energy: -7.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -90.684304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.684304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.684304 (E_RNA)
where:
Base-Base interactions energy: -32.931
where: short stacking energy: -29.860
Base-Backbone interact. energy: -0.013
local terms energy: -57.740617
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -6.516
tors. eta vs tors. theta energy: -4.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -93.891350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.891350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.891350 (E_RNA)
where:
Base-Base interactions energy: -43.322
where: short stacking energy: -29.110
Base-Backbone interact. energy: -0.269
local terms energy: -50.300363
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -11.971
flat angles C4'-P-C4' energy: -11.061
flat angles P-C4'-P energy: -10.021
tors. eta vs tors. theta energy: -4.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -81.394272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.394272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.394272 (E_RNA)
where:
Base-Base interactions energy: -26.202
where: short stacking energy: -21.090
Base-Backbone interact. energy: -0.091
local terms energy: -55.101398
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -13.780
flat angles P-C4'-P energy: -8.772
tors. eta vs tors. theta energy: -2.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -79.435403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.435403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.435403 (E_RNA)
where:
Base-Base interactions energy: -29.178
where: short stacking energy: -23.417
Base-Backbone interact. energy: -0.309
local terms energy: -49.948028
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -6.602
flat angles P-C4'-P energy: -7.219
tors. eta vs tors. theta energy: -6.075
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: 10
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -70.865410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.865410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.865410 (E_RNA)
where:
Base-Base interactions energy: -24.505
where: short stacking energy: -24.436
Base-Backbone interact. energy: -0.218
local terms energy: -46.142290
where:
bonds (distance) C4'-P energy: -10.306
bonds (distance) P-C4' energy: -14.770
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -5.945
tors. eta vs tors. theta energy: -0.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -217.400896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.400896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.400896 (E_RNA)
where:
Base-Base interactions energy: -139.504
where: short stacking energy: -69.523
Base-Backbone interact. energy: 0.009
local terms energy: -77.905241
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -15.624
flat angles P-C4'-P energy: -12.822
tors. eta vs tors. theta energy: -19.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -205.070734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.070734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.070734 (E_RNA)
where:
Base-Base interactions energy: -130.519
where: short stacking energy: -65.100
Base-Backbone interact. energy: 0.035
local terms energy: -74.586443
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -12.756
flat angles C4'-P-C4' energy: -15.758
flat angles P-C4'-P energy: -12.952
tors. eta vs tors. theta energy: -20.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -193.400034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.400034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.400034 (E_RNA)
where:
Base-Base interactions energy: -123.856
where: short stacking energy: -53.929
Base-Backbone interact. energy: -0.126
local terms energy: -69.417765
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -13.632
flat angles C4'-P-C4' energy: -15.673
flat angles P-C4'-P energy: -11.843
tors. eta vs tors. theta energy: -13.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -207.935904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.935904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.935904 (E_RNA)
where:
Base-Base interactions energy: -139.254
where: short stacking energy: -63.954
Base-Backbone interact. energy: -0.943
local terms energy: -67.739668
where:
bonds (distance) C4'-P energy: -12.297
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -13.245
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -17.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -192.704557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.704557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.704557 (E_RNA)
where:
Base-Base interactions energy: -130.238
where: short stacking energy: -58.541
Base-Backbone interact. energy: -0.732
local terms energy: -61.734271
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -8.616
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -14.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -94.856703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.856703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.856703 (E_RNA)
where:
Base-Base interactions energy: -45.973
where: short stacking energy: -26.758
Base-Backbone interact. energy: -0.356
local terms energy: -48.527238
where:
bonds (distance) C4'-P energy: -12.144
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -10.900
flat angles P-C4'-P energy: -9.464
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: 7, replica: 9
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -97.107059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.107059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.107059 (E_RNA)
where:
Base-Base interactions energy: -41.511
where: short stacking energy: -31.251
Base-Backbone interact. energy: -0.433
local terms energy: -55.163793
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -5.061
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -8.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -79.976734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.976734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.976734 (E_RNA)
where:
Base-Base interactions energy: -26.794
where: short stacking energy: -25.828
Base-Backbone interact. energy: -0.898
local terms energy: -52.284001
where:
bonds (distance) C4'-P energy: -11.879
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -9.295
flat angles P-C4'-P energy: -12.031
tors. eta vs tors. theta energy: -4.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -78.455082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.455082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.455082 (E_RNA)
where:
Base-Base interactions energy: -42.138
where: short stacking energy: -20.569
Base-Backbone interact. energy: -0.164
local terms energy: -36.153703
where:
bonds (distance) C4'-P energy: -14.601
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -8.693
flat angles P-C4'-P energy: 4.590
tors. eta vs tors. theta energy: -1.716
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: 10, replica: 10
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -77.574771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.574771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.574771 (E_RNA)
where:
Base-Base interactions energy: -18.763
where: short stacking energy: -18.763
Base-Backbone interact. energy: -0.078
local terms energy: -58.733354
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -7.812
tors. eta vs tors. theta energy: -7.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -220.419675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.419675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.419675 (E_RNA)
where:
Base-Base interactions energy: -140.513
where: short stacking energy: -72.117
Base-Backbone interact. energy: -0.726
local terms energy: -79.180933
where:
bonds (distance) C4'-P energy: -13.992
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -11.764
tors. eta vs tors. theta energy: -21.511
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: 476
Temperature: 0.950000
Total energy: -216.557906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.557906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.557906 (E_RNA)
where:
Base-Base interactions energy: -138.180
where: short stacking energy: -70.027
Base-Backbone interact. energy: -0.097
local terms energy: -78.280173
where:
bonds (distance) C4'-P energy: -15.155
bonds (distance) P-C4' energy: -14.492
flat angles C4'-P-C4' energy: -17.675
flat angles P-C4'-P energy: -8.478
tors. eta vs tors. theta energy: -22.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -193.848603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.848603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.848603 (E_RNA)
where:
Base-Base interactions energy: -124.435
where: short stacking energy: -60.565
Base-Backbone interact. energy: 0.537
local terms energy: -69.951174
where:
bonds (distance) C4'-P energy: -11.623
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -13.678
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: -18.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -185.870797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.870797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.870797 (E_RNA)
where:
Base-Base interactions energy: -121.897
where: short stacking energy: -51.421
Base-Backbone interact. energy: -0.068
local terms energy: -63.905290
where:
bonds (distance) C4'-P energy: -14.023
bonds (distance) P-C4' energy: -13.543
flat angles C4'-P-C4' energy: -12.431
flat angles P-C4'-P energy: -10.978
tors. eta vs tors. theta energy: -12.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -184.832473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.832473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.832473 (E_RNA)
where:
Base-Base interactions energy: -123.305
where: short stacking energy: -54.948
Base-Backbone interact. energy: -0.703
local terms energy: -60.824380
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -10.325
flat angles C4'-P-C4' energy: -16.671
flat angles P-C4'-P energy: -8.289
tors. eta vs tors. theta energy: -11.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -91.843371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.843371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.843371 (E_RNA)
where:
Base-Base interactions energy: -37.370
where: short stacking energy: -39.208
Base-Backbone interact. energy: -0.155
local terms energy: -54.317622
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -11.418
flat angles P-C4'-P energy: -8.348
tors. eta vs tors. theta energy: -6.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -85.760023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.760023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.760023 (E_RNA)
where:
Base-Base interactions energy: -37.055
where: short stacking energy: -37.055
Base-Backbone interact. energy: -0.213
local terms energy: -48.492838
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -11.685
flat angles C4'-P-C4' energy: -8.799
flat angles P-C4'-P energy: -7.056
tors. eta vs tors. theta energy: -5.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -84.647199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.647199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.647199 (E_RNA)
where:
Base-Base interactions energy: -42.012
where: short stacking energy: -29.903
Base-Backbone interact. energy: -0.185
local terms energy: -42.450454
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -9.444
flat angles P-C4'-P energy: -5.199
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: 10
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -80.797814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.797814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.797814 (E_RNA)
where:
Base-Base interactions energy: -33.348
where: short stacking energy: -21.055
Base-Backbone interact. energy: -0.899
local terms energy: -46.551167
where:
bonds (distance) C4'-P energy: -11.639
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -10.406
flat angles P-C4'-P energy: -8.129
tors. eta vs tors. theta energy: 0.732
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: 10, replica: 1
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -85.567111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.567111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.567111 (E_RNA)
where:
Base-Base interactions energy: -37.663
where: short stacking energy: -34.025
Base-Backbone interact. energy: -0.022
local terms energy: -47.881505
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -11.342
flat angles C4'-P-C4' energy: -12.020
flat angles P-C4'-P energy: -5.582
tors. eta vs tors. theta energy: -6.018
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: 5
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -220.685549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.685549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.685549 (E_RNA)
where:
Base-Base interactions energy: -139.431
where: short stacking energy: -73.948
Base-Backbone interact. energy: -0.109
local terms energy: -81.146442
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -17.239
flat angles P-C4'-P energy: -11.220
tors. eta vs tors. theta energy: -22.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -189.248559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.248559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.248559 (E_RNA)
where:
Base-Base interactions energy: -124.438
where: short stacking energy: -62.143
Base-Backbone interact. energy: -0.117
local terms energy: -64.693584
where:
bonds (distance) C4'-P energy: -10.786
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -15.858
flat angles P-C4'-P energy: -7.968
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: 4
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -205.755199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.755199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.755199 (E_RNA)
where:
Base-Base interactions energy: -137.242
where: short stacking energy: -61.743
Base-Backbone interact. energy: -0.104
local terms energy: -68.409030
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -6.458
flat angles C4'-P-C4' energy: -17.857
flat angles P-C4'-P energy: -9.504
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: 4, replica: 8
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -192.857453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.857453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.857453 (E_RNA)
where:
Base-Base interactions energy: -119.700
where: short stacking energy: -63.198
Base-Backbone interact. energy: -0.066
local terms energy: -73.090912
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -15.738
flat angles C4'-P-C4' energy: -16.909
flat angles P-C4'-P energy: -11.089
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: 6
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -181.077090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.077090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.077090 (E_RNA)
where:
Base-Base interactions energy: -120.058
where: short stacking energy: -54.145
Base-Backbone interact. energy: -0.769
local terms energy: -60.250635
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -11.537
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -11.410
tors. eta vs tors. theta energy: -10.439
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: 9
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -100.302890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.302890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.302890 (E_RNA)
where:
Base-Base interactions energy: -47.503
where: short stacking energy: -27.978
Base-Backbone interact. energy: -0.090
local terms energy: -52.710125
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -11.891
flat angles C4'-P-C4' energy: -13.261
flat angles P-C4'-P energy: -10.675
tors. eta vs tors. theta energy: -2.541
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: 477
Temperature: 1.200000
Total energy: -87.605303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.605303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.605303 (E_RNA)
where:
Base-Base interactions energy: -35.093
where: short stacking energy: -32.921
Base-Backbone interact. energy: -0.112
local terms energy: -52.400143
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -16.508
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -6.496
tors. eta vs tors. theta energy: -3.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -77.981008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.981008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.981008 (E_RNA)
where:
Base-Base interactions energy: -28.420
where: short stacking energy: -26.716
Base-Backbone interact. energy: -0.031
local terms energy: -49.529723
where:
bonds (distance) C4'-P energy: -8.964
bonds (distance) P-C4' energy: -10.824
flat angles C4'-P-C4' energy: -16.369
flat angles P-C4'-P energy: -9.815
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: 9, replica: 7
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -70.321242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.321242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.321242 (E_RNA)
where:
Base-Base interactions energy: -29.084
where: short stacking energy: -25.038
Base-Backbone interact. energy: 0.073
local terms energy: -41.310133
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -13.560
flat angles P-C4'-P energy: -4.686
tors. eta vs tors. theta energy: 5.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -80.118964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.118964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.118964 (E_RNA)
where:
Base-Base interactions energy: -33.293
where: short stacking energy: -20.206
Base-Backbone interact. energy: 0.148
local terms energy: -46.974384
where:
bonds (distance) C4'-P energy: -9.205
bonds (distance) P-C4' energy: -12.547
flat angles C4'-P-C4' energy: -13.254
flat angles P-C4'-P energy: -12.198
tors. eta vs tors. theta energy: 0.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -219.984923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.984923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.984923 (E_RNA)
where:
Base-Base interactions energy: -146.212
where: short stacking energy: -71.695
Base-Backbone interact. energy: -0.064
local terms energy: -73.708728
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -9.763
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: 2, replica: 5
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -216.001112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.001112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.001112 (E_RNA)
where:
Base-Base interactions energy: -136.464
where: short stacking energy: -71.937
Base-Backbone interact. energy: -0.016
local terms energy: -79.520701
where:
bonds (distance) C4'-P energy: -16.795
bonds (distance) P-C4' energy: -13.417
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -11.758
tors. eta vs tors. theta energy: -21.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -212.496743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.496743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.496743 (E_RNA)
where:
Base-Base interactions energy: -141.500
where: short stacking energy: -72.810
Base-Backbone interact. energy: -0.408
local terms energy: -70.588006
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -11.727
flat angles C4'-P-C4' energy: -18.094
flat angles P-C4'-P energy: -10.422
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: 4, replica: 4
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -191.190748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.190748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.190748 (E_RNA)
where:
Base-Base interactions energy: -122.697
where: short stacking energy: -59.109
Base-Backbone interact. energy: -0.006
local terms energy: -68.488413
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -12.333
flat angles C4'-P-C4' energy: -16.262
flat angles P-C4'-P energy: -7.315
tors. eta vs tors. theta energy: -16.948
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: 478
Temperature: 1.100000
Total energy: -189.059479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.059479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.059479 (E_RNA)
where:
Base-Base interactions energy: -116.071
where: short stacking energy: -60.784
Base-Backbone interact. energy: -0.111
local terms energy: -72.877809
where:
bonds (distance) C4'-P energy: -17.132
bonds (distance) P-C4' energy: -12.837
flat angles C4'-P-C4' energy: -12.760
flat angles P-C4'-P energy: -13.427
tors. eta vs tors. theta energy: -16.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -106.574954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.574954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.574954 (E_RNA)
where:
Base-Base interactions energy: -51.981
where: short stacking energy: -41.314
Base-Backbone interact. energy: -0.268
local terms energy: -54.325642
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -11.663
flat angles P-C4'-P energy: -8.681
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: 7, replica: 10
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -94.453512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.453512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.453512 (E_RNA)
where:
Base-Base interactions energy: -36.654
where: short stacking energy: -36.654
Base-Backbone interact. energy: -0.091
local terms energy: -57.708113
where:
bonds (distance) C4'-P energy: -11.199
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -12.243
flat angles P-C4'-P energy: -8.282
tors. eta vs tors. theta energy: -10.194
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: 478
Temperature: 1.250000
Total energy: -82.747542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.747542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.747542 (E_RNA)
where:
Base-Base interactions energy: -38.747
where: short stacking energy: -28.294
Base-Backbone interact. energy: -0.201
local terms energy: -43.799773
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -7.719
flat angles C4'-P-C4' energy: -13.507
flat angles P-C4'-P energy: -7.976
tors. eta vs tors. theta energy: -2.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -78.474290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.474290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.474290 (E_RNA)
where:
Base-Base interactions energy: -24.804
where: short stacking energy: -24.804
Base-Backbone interact. energy: 2.155
local terms energy: -55.825774
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -14.841
flat angles P-C4'-P energy: -8.208
tors. eta vs tors. theta energy: -5.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -85.826188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.826188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.826188 (E_RNA)
where:
Base-Base interactions energy: -33.873
where: short stacking energy: -30.661
Base-Backbone interact. energy: -0.056
local terms energy: -51.897386
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -11.666
flat angles P-C4'-P energy: -5.385
tors. eta vs tors. theta energy: -6.458
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: 2
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -220.862030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.862030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.862030 (E_RNA)
where:
Base-Base interactions energy: -142.611
where: short stacking energy: -65.810
Base-Backbone interact. energy: -0.011
local terms energy: -78.240319
where:
bonds (distance) C4'-P energy: -13.760
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -15.473
flat angles P-C4'-P energy: -13.903
tors. eta vs tors. theta energy: -19.424
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: 5
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -218.679683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.679683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.679683 (E_RNA)
where:
Base-Base interactions energy: -138.588
where: short stacking energy: -76.128
Base-Backbone interact. energy: -0.011
local terms energy: -80.080472
where:
bonds (distance) C4'-P energy: -15.265
bonds (distance) P-C4' energy: -15.152
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -11.247
tors. eta vs tors. theta energy: -22.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -209.216177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.216177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.216177 (E_RNA)
where:
Base-Base interactions energy: -136.709
where: short stacking energy: -69.625
Base-Backbone interact. energy: -0.132
local terms energy: -72.375984
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -16.200
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: -18.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -216.278013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.278013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.278013 (E_RNA)
where:
Base-Base interactions energy: -141.553
where: short stacking energy: -73.417
Base-Backbone interact. energy: -0.486
local terms energy: -74.239246
where:
bonds (distance) C4'-P energy: -15.277
bonds (distance) P-C4' energy: -14.087
flat angles C4'-P-C4' energy: -14.067
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -20.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -181.951208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.951208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.951208 (E_RNA)
where:
Base-Base interactions energy: -113.879
where: short stacking energy: -48.237
Base-Backbone interact. energy: -0.007
local terms energy: -68.065251
where:
bonds (distance) C4'-P energy: -11.245
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -16.500
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: -15.176
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: 9
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -91.190017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.190017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.190017 (E_RNA)
where:
Base-Base interactions energy: -35.446
where: short stacking energy: -25.670
Base-Backbone interact. energy: -0.471
local terms energy: -55.273593
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -13.719
flat angles P-C4'-P energy: -9.510
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: 7, replica: 10
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -102.015965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.015965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.015965 (E_RNA)
where:
Base-Base interactions energy: -36.611
where: short stacking energy: -36.599
Base-Backbone interact. energy: -0.012
local terms energy: -65.392355
where:
bonds (distance) C4'-P energy: -17.629
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -12.699
flat angles P-C4'-P energy: -13.225
tors. eta vs tors. theta energy: -4.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -89.127031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.127031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.127031 (E_RNA)
where:
Base-Base interactions energy: -37.173
where: short stacking energy: -37.173
Base-Backbone interact. energy: -0.116
local terms energy: -51.837852
where:
bonds (distance) C4'-P energy: -5.968
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -13.422
flat angles P-C4'-P energy: -9.251
tors. eta vs tors. theta energy: -8.189
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: 1
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -86.235310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.235310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.235310 (E_RNA)
where:
Base-Base interactions energy: -29.782
where: short stacking energy: -29.743
Base-Backbone interact. energy: 0.311
local terms energy: -56.764005
where:
bonds (distance) C4'-P energy: -14.445
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -10.604
flat angles P-C4'-P energy: -9.972
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: 10, replica: 7
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -76.971984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.971984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.971984 (E_RNA)
where:
Base-Base interactions energy: -28.112
where: short stacking energy: -28.112
Base-Backbone interact. energy: -0.046
local terms energy: -48.814630
where:
bonds (distance) C4'-P energy: -7.127
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -8.879
tors. eta vs tors. theta energy: -1.047
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: 480
Temperature: 0.900000
Total energy: -219.329228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.329228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.329228 (E_RNA)
where:
Base-Base interactions energy: -139.615
where: short stacking energy: -73.013
Base-Backbone interact. energy: -0.033
local terms energy: -79.680550
where:
bonds (distance) C4'-P energy: -16.702
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -15.545
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -21.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -215.266827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.266827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.266827 (E_RNA)
where:
Base-Base interactions energy: -140.729
where: short stacking energy: -70.722
Base-Backbone interact. energy: -0.039
local terms energy: -74.498284
where:
bonds (distance) C4'-P energy: -9.744
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -10.509
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: 480
Temperature: 1.000000
Total energy: -218.793733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.793733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.793733 (E_RNA)
where:
Base-Base interactions energy: -143.168
where: short stacking energy: -67.897
Base-Backbone interact. energy: -0.050
local terms energy: -75.575750
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -16.188
flat angles P-C4'-P energy: -11.218
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: 6
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -200.514005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.514005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.514005 (E_RNA)
where:
Base-Base interactions energy: -126.631
where: short stacking energy: -58.482
Base-Backbone interact. energy: -0.322
local terms energy: -73.561607
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -12.080
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -20.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -196.319642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.319642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.319642 (E_RNA)
where:
Base-Base interactions energy: -126.267
where: short stacking energy: -64.084
Base-Backbone interact. energy: -0.071
local terms energy: -69.981523
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -5.517
flat angles C4'-P-C4' energy: -15.317
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -21.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -110.009299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.009299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.009299 (E_RNA)
where:
Base-Base interactions energy: -44.917
where: short stacking energy: -44.917
Base-Backbone interact. energy: -0.051
local terms energy: -65.041183
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -14.281
flat angles P-C4'-P energy: -12.295
tors. eta vs tors. theta energy: -9.343
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: 480
Temperature: 1.200000
Total energy: -89.165290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.165290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.165290 (E_RNA)
where:
Base-Base interactions energy: -32.635
where: short stacking energy: -27.725
Base-Backbone interact. energy: -0.181
local terms energy: -56.349501
where:
bonds (distance) C4'-P energy: -11.126
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -13.676
flat angles P-C4'-P energy: -8.876
tors. eta vs tors. theta energy: -6.212
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: 480
Temperature: 1.250000
Total energy: -93.652880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.652880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.652880 (E_RNA)
where:
Base-Base interactions energy: -36.156
where: short stacking energy: -36.156
Base-Backbone interact. energy: -0.010
local terms energy: -57.487013
where:
bonds (distance) C4'-P energy: -10.083
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -7.793
tors. eta vs tors. theta energy: -9.256
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: 7
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -101.683646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.683646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.683646 (E_RNA)
where:
Base-Base interactions energy: -51.021
where: short stacking energy: -28.492
Base-Backbone interact. energy: -0.111
local terms energy: -50.550860
where:
bonds (distance) C4'-P energy: -10.996
bonds (distance) P-C4' energy: -11.613
flat angles C4'-P-C4' energy: -6.803
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -10.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -79.739235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.739235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.739235 (E_RNA)
where:
Base-Base interactions energy: -30.906
where: short stacking energy: -30.906
Base-Backbone interact. energy: -0.224
local terms energy: -48.608988
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -13.459
flat angles C4'-P-C4' energy: -12.160
flat angles P-C4'-P energy: -5.833
tors. eta vs tors. theta energy: -2.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -222.564070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.564070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.564070 (E_RNA)
where:
Base-Base interactions energy: -143.537
where: short stacking energy: -69.372
Base-Backbone interact. energy: -0.654
local terms energy: -78.373802
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -18.231
flat angles C4'-P-C4' energy: -15.161
flat angles P-C4'-P energy: -13.532
tors. eta vs tors. theta energy: -17.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -214.574227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.574227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.574227 (E_RNA)
where:
Base-Base interactions energy: -140.183
where: short stacking energy: -74.002
Base-Backbone interact. energy: 0.072
local terms energy: -74.463807
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -18.898
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -9.273
tors. eta vs tors. theta energy: -18.496
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: 3, replica: 5
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -218.751476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.751476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.751476 (E_RNA)
where:
Base-Base interactions energy: -144.066
where: short stacking energy: -70.509
Base-Backbone interact. energy: 0.540
local terms energy: -75.225149
where:
bonds (distance) C4'-P energy: -12.656
bonds (distance) P-C4' energy: -15.394
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -12.826
tors. eta vs tors. theta energy: -18.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -208.142092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.142092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.142092 (E_RNA)
where:
Base-Base interactions energy: -132.457
where: short stacking energy: -69.389
Base-Backbone interact. energy: 2.912
local terms energy: -78.596570
where:
bonds (distance) C4'-P energy: -16.155
bonds (distance) P-C4' energy: -11.454
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -11.546
tors. eta vs tors. theta energy: -23.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -197.744490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.744490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.744490 (E_RNA)
where:
Base-Base interactions energy: -131.079
where: short stacking energy: -61.203
Base-Backbone interact. energy: -0.437
local terms energy: -66.228755
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -9.531
flat angles C4'-P-C4' energy: -10.758
flat angles P-C4'-P energy: -12.368
tors. eta vs tors. theta energy: -17.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -90.665561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.665561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.665561 (E_RNA)
where:
Base-Base interactions energy: -37.333
where: short stacking energy: -36.431
Base-Backbone interact. energy: 0.101
local terms energy: -53.433628
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -10.186
flat angles C4'-P-C4' energy: -11.799
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -8.826
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: 9
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -97.275648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.275648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.275648 (E_RNA)
where:
Base-Base interactions energy: -36.807
where: short stacking energy: -36.179
Base-Backbone interact. energy: -0.010
local terms energy: -60.459000
where:
bonds (distance) C4'-P energy: -11.318
bonds (distance) P-C4' energy: -16.048
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -10.937
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: 8, replica: 7
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -88.790256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.790256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.790256 (E_RNA)
where:
Base-Base interactions energy: -37.066
where: short stacking energy: -36.915
Base-Backbone interact. energy: -0.093
local terms energy: -51.631706
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -11.118
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -2.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -93.347652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.347652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.347652 (E_RNA)
where:
Base-Base interactions energy: -37.887
where: short stacking energy: -37.887
Base-Backbone interact. energy: -0.015
local terms energy: -55.445134
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -12.813
flat angles C4'-P-C4' energy: -12.104
flat angles P-C4'-P energy: -4.445
tors. eta vs tors. theta energy: -9.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -79.455003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.455003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.455003 (E_RNA)
where:
Base-Base interactions energy: -32.481
where: short stacking energy: -25.148
Base-Backbone interact. energy: -0.071
local terms energy: -46.902354
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -12.746
flat angles C4'-P-C4' energy: -9.886
flat angles P-C4'-P energy: -6.403
tors. eta vs tors. theta energy: -3.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -230.248358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.248358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.248358 (E_RNA)
where:
Base-Base interactions energy: -145.901
where: short stacking energy: -75.532
Base-Backbone interact. energy: -0.020
local terms energy: -84.326759
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -18.032
flat angles C4'-P-C4' energy: -15.546
flat angles P-C4'-P energy: -12.203
tors. eta vs tors. theta energy: -23.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -217.882519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.882519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.882519 (E_RNA)
where:
Base-Base interactions energy: -142.237
where: short stacking energy: -66.315
Base-Backbone interact. energy: -0.006
local terms energy: -75.639619
where:
bonds (distance) C4'-P energy: -15.784
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -11.537
tors. eta vs tors. theta energy: -17.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -213.077734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.077734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.077734 (E_RNA)
where:
Base-Base interactions energy: -136.782
where: short stacking energy: -72.484
Base-Backbone interact. energy: -0.010
local terms energy: -76.285656
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -11.655
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: 4, replica: 4
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -197.525237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.525237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.525237 (E_RNA)
where:
Base-Base interactions energy: -123.783
where: short stacking energy: -56.253
Base-Backbone interact. energy: -0.020
local terms energy: -73.722935
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -16.061
flat angles P-C4'-P energy: -9.390
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: 5, replica: 6
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -153.296270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.296270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.296270 (E_RNA)
where:
Base-Base interactions energy: -89.159
where: short stacking energy: -49.848
Base-Backbone interact. energy: -0.940
local terms energy: -63.197386
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -15.601
flat angles P-C4'-P energy: -6.645
tors. eta vs tors. theta energy: -11.422
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: 10
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -104.791786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.791786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.791786 (E_RNA)
where:
Base-Base interactions energy: -48.602
where: short stacking energy: -38.915
Base-Backbone interact. energy: -0.393
local terms energy: -55.796366
where:
bonds (distance) C4'-P energy: -16.761
bonds (distance) P-C4' energy: -12.639
flat angles C4'-P-C4' energy: -10.179
flat angles P-C4'-P energy: -7.725
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: 7, replica: 7
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -84.519233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.519233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.519233 (E_RNA)
where:
Base-Base interactions energy: -32.610
where: short stacking energy: -19.199
Base-Backbone interact. energy: -0.063
local terms energy: -51.846318
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -9.930
tors. eta vs tors. theta energy: 2.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -86.883465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.883465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.883465 (E_RNA)
where:
Base-Base interactions energy: -35.530
where: short stacking energy: -22.066
Base-Backbone interact. energy: 1.821
local terms energy: -53.174182
where:
bonds (distance) C4'-P energy: -14.170
bonds (distance) P-C4' energy: -14.985
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -8.290
tors. eta vs tors. theta energy: -1.534
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: 482
Temperature: 1.300000
Total energy: -89.830436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.830436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.830436 (E_RNA)
where:
Base-Base interactions energy: -39.754
where: short stacking energy: -38.700
Base-Backbone interact. energy: -0.074
local terms energy: -50.002528
where:
bonds (distance) C4'-P energy: -9.243
bonds (distance) P-C4' energy: -12.192
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -2.369
tors. eta vs tors. theta energy: -10.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -91.669050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.669050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.669050 (E_RNA)
where:
Base-Base interactions energy: -46.982
where: short stacking energy: -44.971
Base-Backbone interact. energy: -0.069
local terms energy: -44.618543
where:
bonds (distance) C4'-P energy: -6.575
bonds (distance) P-C4' energy: -10.133
flat angles C4'-P-C4' energy: -13.505
flat angles P-C4'-P energy: -7.043
tors. eta vs tors. theta energy: -7.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -223.921624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.921624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.921624 (E_RNA)
where:
Base-Base interactions energy: -145.173
where: short stacking energy: -76.097
Base-Backbone interact. energy: -0.286
local terms energy: -78.462937
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -15.465
flat angles P-C4'-P energy: -11.431
tors. eta vs tors. theta energy: -23.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -221.546224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.546224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.546224 (E_RNA)
where:
Base-Base interactions energy: -140.893
where: short stacking energy: -76.533
Base-Backbone interact. energy: 1.303
local terms energy: -81.957108
where:
bonds (distance) C4'-P energy: -15.937
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -17.235
flat angles P-C4'-P energy: -13.403
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: 483
Temperature: 1.000000
Total energy: -208.765990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.765990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.765990 (E_RNA)
where:
Base-Base interactions energy: -131.826
where: short stacking energy: -56.550
Base-Backbone interact. energy: -0.080
local terms energy: -76.860063
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -16.279
flat angles P-C4'-P energy: -12.482
tors. eta vs tors. theta energy: -19.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -207.770043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.770043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.770043 (E_RNA)
where:
Base-Base interactions energy: -130.898
where: short stacking energy: -70.435
Base-Backbone interact. energy: -0.080
local terms energy: -76.792282
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -12.816
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -11.865
tors. eta vs tors. theta energy: -22.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -140.430254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.430254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.430254 (E_RNA)
where:
Base-Base interactions energy: -76.069
where: short stacking energy: -46.813
Base-Backbone interact. energy: -0.199
local terms energy: -64.162476
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -12.689
tors. eta vs tors. theta energy: -10.765
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: 7
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -99.803960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.803960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.803960 (E_RNA)
where:
Base-Base interactions energy: -40.467
where: short stacking energy: -33.524
Base-Backbone interact. energy: -0.220
local terms energy: -59.117101
where:
bonds (distance) C4'-P energy: -11.785
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -18.956
flat angles P-C4'-P energy: -6.497
tors. eta vs tors. theta energy: -6.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -102.173257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.173257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.173257 (E_RNA)
where:
Base-Base interactions energy: -45.494
where: short stacking energy: -45.494
Base-Backbone interact. energy: -0.078
local terms energy: -56.601836
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -13.791
flat angles C4'-P-C4' energy: -14.461
flat angles P-C4'-P energy: -5.609
tors. eta vs tors. theta energy: -8.559
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: 483
Temperature: 1.250000
Total energy: -89.241591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.241591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.241591 (E_RNA)
where:
Base-Base interactions energy: -36.535
where: short stacking energy: -36.535
Base-Backbone interact. energy: -0.117
local terms energy: -52.590279
where:
bonds (distance) C4'-P energy: -12.512
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -12.764
flat angles P-C4'-P energy: -7.669
tors. eta vs tors. theta energy: -6.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -79.549531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.549531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.549531 (E_RNA)
where:
Base-Base interactions energy: -23.336
where: short stacking energy: -23.336
Base-Backbone interact. energy: 1.249
local terms energy: -57.462481
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -10.273
flat angles P-C4'-P energy: -10.493
tors. eta vs tors. theta energy: -7.525
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: 3
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -79.814454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.814454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.814454 (E_RNA)
where:
Base-Base interactions energy: -33.396
where: short stacking energy: -29.053
Base-Backbone interact. energy: -0.088
local terms energy: -46.330353
where:
bonds (distance) C4'-P energy: -8.761
bonds (distance) P-C4' energy: -17.763
flat angles C4'-P-C4' energy: -9.885
flat angles P-C4'-P energy: -5.703
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: 484
Temperature: 0.900000
Total energy: -227.330508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.330508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.330508 (E_RNA)
where:
Base-Base interactions energy: -148.540
where: short stacking energy: -71.842
Base-Backbone interact. energy: -0.113
local terms energy: -78.677307
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -17.140
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -19.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -217.307612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.307612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.307612 (E_RNA)
where:
Base-Base interactions energy: -138.944
where: short stacking energy: -69.105
Base-Backbone interact. energy: -0.088
local terms energy: -78.275860
where:
bonds (distance) C4'-P energy: -12.286
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -16.862
flat angles P-C4'-P energy: -11.294
tors. eta vs tors. theta energy: -19.912
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: 5
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -213.473834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.473834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.473834 (E_RNA)
where:
Base-Base interactions energy: -147.337
where: short stacking energy: -66.325
Base-Backbone interact. energy: -0.103
local terms energy: -66.033396
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -15.425
flat angles P-C4'-P energy: -7.277
tors. eta vs tors. theta energy: -16.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -205.038759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.038759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.038759 (E_RNA)
where:
Base-Base interactions energy: -136.278
where: short stacking energy: -70.037
Base-Backbone interact. energy: -0.003
local terms energy: -68.758428
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -13.357
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -9.601
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: 5, replica: 6
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -130.025762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.025762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.025762 (E_RNA)
where:
Base-Base interactions energy: -71.739
where: short stacking energy: -46.621
Base-Backbone interact. energy: -0.013
local terms energy: -58.273379
where:
bonds (distance) C4'-P energy: -16.759
bonds (distance) P-C4' energy: -10.324
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -6.119
tors. eta vs tors. theta energy: -9.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -85.956143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.956143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.956143 (E_RNA)
where:
Base-Base interactions energy: -33.705
where: short stacking energy: -33.705
Base-Backbone interact. energy: -0.040
local terms energy: -52.211256
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -8.242
tors. eta vs tors. theta energy: -2.512
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: 7, replica: 9
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -100.397861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.397861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.397861 (E_RNA)
where:
Base-Base interactions energy: -40.702
where: short stacking energy: -40.702
Base-Backbone interact. energy: -0.013
local terms energy: -59.682349
where:
bonds (distance) C4'-P energy: -15.702
bonds (distance) P-C4' energy: -11.492
flat angles C4'-P-C4' energy: -10.314
flat angles P-C4'-P energy: -9.998
tors. eta vs tors. theta energy: -12.177
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: 484
Temperature: 1.250000
Total energy: -91.392002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.392002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.392002 (E_RNA)
where:
Base-Base interactions energy: -33.468
where: short stacking energy: -29.528
Base-Backbone interact. energy: -0.101
local terms energy: -57.822722
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -9.209
flat angles P-C4'-P energy: -9.003
tors. eta vs tors. theta energy: -7.300
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: 484
Temperature: 1.300000
Total energy: -80.072041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.072041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.072041 (E_RNA)
where:
Base-Base interactions energy: -32.303
where: short stacking energy: -30.839
Base-Backbone interact. energy: -0.194
local terms energy: -47.574901
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -7.516
flat angles P-C4'-P energy: -9.271
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: 10, replica: 1
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -78.782318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.782318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.782318 (E_RNA)
where:
Base-Base interactions energy: -27.211
where: short stacking energy: -27.211
Base-Backbone interact. energy: -0.087
local terms energy: -51.484204
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -8.738
flat angles P-C4'-P energy: -7.607
tors. eta vs tors. theta energy: -2.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -218.236204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.236204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.236204 (E_RNA)
where:
Base-Base interactions energy: -139.331
where: short stacking energy: -69.404
Base-Backbone interact. energy: -0.011
local terms energy: -78.894827
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -17.092
flat angles C4'-P-C4' energy: -17.094
flat angles P-C4'-P energy: -10.143
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: 2
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -214.704039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.704039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.704039 (E_RNA)
where:
Base-Base interactions energy: -144.409
where: short stacking energy: -68.738
Base-Backbone interact. energy: -0.252
local terms energy: -70.042876
where:
bonds (distance) C4'-P energy: -13.152
bonds (distance) P-C4' energy: -12.113
flat angles C4'-P-C4' energy: -17.456
flat angles P-C4'-P energy: -11.781
tors. eta vs tors. theta energy: -15.541
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: 5
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -202.482405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.482405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.482405 (E_RNA)
where:
Base-Base interactions energy: -133.634
where: short stacking energy: -60.519
Base-Backbone interact. energy: -0.200
local terms energy: -68.648867
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -13.228
flat angles C4'-P-C4' energy: -15.428
flat angles P-C4'-P energy: -6.987
tors. eta vs tors. theta energy: -18.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -210.255761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.255761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.255761 (E_RNA)
where:
Base-Base interactions energy: -132.932
where: short stacking energy: -70.406
Base-Backbone interact. energy: 0.367
local terms energy: -77.690843
where:
bonds (distance) C4'-P energy: -10.621
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -16.132
flat angles P-C4'-P energy: -12.233
tors. eta vs tors. theta energy: -21.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -141.316420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.316420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.316420 (E_RNA)
where:
Base-Base interactions energy: -89.434
where: short stacking energy: -44.003
Base-Backbone interact. energy: -0.084
local terms energy: -51.798481
where:
bonds (distance) C4'-P energy: -10.802
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -9.964
flat angles P-C4'-P energy: -10.714
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: 6, replica: 9
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -96.006502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.006502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.006502 (E_RNA)
where:
Base-Base interactions energy: -37.385
where: short stacking energy: -37.385
Base-Backbone interact. energy: -0.191
local terms energy: -58.430472
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -11.124
flat angles C4'-P-C4' energy: -16.518
flat angles P-C4'-P energy: -6.870
tors. eta vs tors. theta energy: -8.305
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: 7
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -91.517944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.517944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.517944 (E_RNA)
where:
Base-Base interactions energy: -32.269
where: short stacking energy: -14.290
Base-Backbone interact. energy: -0.069
local terms energy: -59.180188
where:
bonds (distance) C4'-P energy: -15.081
bonds (distance) P-C4' energy: -15.574
flat angles C4'-P-C4' energy: -15.095
flat angles P-C4'-P energy: -11.914
tors. eta vs tors. theta energy: -1.516
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: 8, replica: 3
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -80.974078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.974078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.974078 (E_RNA)
where:
Base-Base interactions energy: -29.306
where: short stacking energy: -28.409
Base-Backbone interact. energy: -0.048
local terms energy: -51.620156
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -12.233
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -1.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -86.767336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.767336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.767336 (E_RNA)
where:
Base-Base interactions energy: -30.795
where: short stacking energy: -31.287
Base-Backbone interact. energy: -0.168
local terms energy: -55.805017
where:
bonds (distance) C4'-P energy: -7.734
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -16.591
flat angles P-C4'-P energy: -11.782
tors. eta vs tors. theta energy: -3.651
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: 10, replica: 1
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -86.363547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.363547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.363547 (E_RNA)
where:
Base-Base interactions energy: -32.239
where: short stacking energy: -31.035
Base-Backbone interact. energy: 0.283
local terms energy: -54.407307
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -10.957
flat angles P-C4'-P energy: -13.891
tors. eta vs tors. theta energy: 0.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -218.199900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.199900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.199900 (E_RNA)
where:
Base-Base interactions energy: -139.526
where: short stacking energy: -77.418
Base-Backbone interact. energy: -0.027
local terms energy: -78.646245
where:
bonds (distance) C4'-P energy: -13.779
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -16.054
flat angles P-C4'-P energy: -9.225
tors. eta vs tors. theta energy: -24.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -219.820865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.820865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.820865 (E_RNA)
where:
Base-Base interactions energy: -141.418
where: short stacking energy: -74.520
Base-Backbone interact. energy: -0.019
local terms energy: -78.384148
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -16.641
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -22.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -203.488170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.488170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.488170 (E_RNA)
where:
Base-Base interactions energy: -131.496
where: short stacking energy: -58.807
Base-Backbone interact. energy: -0.080
local terms energy: -71.912780
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -16.598
flat angles C4'-P-C4' energy: -17.593
flat angles P-C4'-P energy: -6.108
tors. eta vs tors. theta energy: -19.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -211.935398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.935398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.935398 (E_RNA)
where:
Base-Base interactions energy: -133.330
where: short stacking energy: -70.580
Base-Backbone interact. energy: -0.019
local terms energy: -78.587058
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: -22.359
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: 486
Temperature: 1.100000
Total energy: -154.402683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.402683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.402683 (E_RNA)
where:
Base-Base interactions energy: -93.435
where: short stacking energy: -37.686
Base-Backbone interact. energy: -0.174
local terms energy: -60.793357
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -17.623
flat angles C4'-P-C4' energy: -12.374
flat angles P-C4'-P energy: -7.586
tors. eta vs tors. theta energy: -9.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -99.025118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.025118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.025118 (E_RNA)
where:
Base-Base interactions energy: -41.801
where: short stacking energy: -41.801
Base-Backbone interact. energy: -0.054
local terms energy: -57.169852
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -10.912
flat angles C4'-P-C4' energy: -12.735
flat angles P-C4'-P energy: -8.768
tors. eta vs tors. theta energy: -10.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -104.578852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.578852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.578852 (E_RNA)
where:
Base-Base interactions energy: -44.681
where: short stacking energy: -40.770
Base-Backbone interact. energy: -0.114
local terms energy: -59.783952
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -13.570
flat angles P-C4'-P energy: -6.701
tors. eta vs tors. theta energy: -9.134
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: 3
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -86.186647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.186647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.186647 (E_RNA)
where:
Base-Base interactions energy: -35.646
where: short stacking energy: -32.678
Base-Backbone interact. energy: -0.230
local terms energy: -50.310557
where:
bonds (distance) C4'-P energy: -9.663
bonds (distance) P-C4' energy: -17.856
flat angles C4'-P-C4' energy: -13.209
flat angles P-C4'-P energy: -2.868
tors. eta vs tors. theta energy: -6.715
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: 10
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -92.526546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.526546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.526546 (E_RNA)
where:
Base-Base interactions energy: -48.518
where: short stacking energy: -28.444
Base-Backbone interact. energy: 0.694
local terms energy: -44.702879
where:
bonds (distance) C4'-P energy: -9.289
bonds (distance) P-C4' energy: -13.287
flat angles C4'-P-C4' energy: -11.586
flat angles P-C4'-P energy: -7.284
tors. eta vs tors. theta energy: -3.257
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: 1
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -96.821306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.821306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.821306 (E_RNA)
where:
Base-Base interactions energy: -41.650
where: short stacking energy: -39.467
Base-Backbone interact. energy: -0.812
local terms energy: -54.359152
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -13.937
flat angles C4'-P-C4' energy: -10.737
flat angles P-C4'-P energy: -7.356
tors. eta vs tors. theta energy: -9.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -223.691036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.691036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.691036 (E_RNA)
where:
Base-Base interactions energy: -142.964
where: short stacking energy: -75.305
Base-Backbone interact. energy: -0.978
local terms energy: -79.749010
where:
bonds (distance) C4'-P energy: -13.305
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -17.719
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -22.511
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: 2
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -214.459715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.459715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.459715 (E_RNA)
where:
Base-Base interactions energy: -140.958
where: short stacking energy: -71.686
Base-Backbone interact. energy: -0.062
local terms energy: -73.439563
where:
bonds (distance) C4'-P energy: -12.503
bonds (distance) P-C4' energy: -15.317
flat angles C4'-P-C4' energy: -12.965
flat angles P-C4'-P energy: -12.864
tors. eta vs tors. theta energy: -19.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -212.349876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.349876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.349876 (E_RNA)
where:
Base-Base interactions energy: -133.601
where: short stacking energy: -72.047
Base-Backbone interact. energy: -0.432
local terms energy: -78.317048
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -11.707
flat angles C4'-P-C4' energy: -16.541
flat angles P-C4'-P energy: -13.372
tors. eta vs tors. theta energy: -23.472
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: 6
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -208.426553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.426553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.426553 (E_RNA)
where:
Base-Base interactions energy: -135.097
where: short stacking energy: -59.049
Base-Backbone interact. energy: -0.130
local terms energy: -73.199672
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -13.909
flat angles P-C4'-P energy: -11.877
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: 5, replica: 4
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -199.671092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.671092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.671092 (E_RNA)
where:
Base-Base interactions energy: -132.545
where: short stacking energy: -70.798
Base-Backbone interact. energy: -1.289
local terms energy: -65.836906
where:
bonds (distance) C4'-P energy: -12.088
bonds (distance) P-C4' energy: -13.005
flat angles C4'-P-C4' energy: -15.743
flat angles P-C4'-P energy: -8.628
tors. eta vs tors. theta energy: -16.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -133.707485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.707485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.707485 (E_RNA)
where:
Base-Base interactions energy: -75.890
where: short stacking energy: -48.745
Base-Backbone interact. energy: -0.113
local terms energy: -57.704332
where:
bonds (distance) C4'-P energy: -9.445
bonds (distance) P-C4' energy: -14.317
flat angles C4'-P-C4' energy: -16.043
flat angles P-C4'-P energy: -8.159
tors. eta vs tors. theta energy: -9.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -94.789694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.789694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.789694 (E_RNA)
where:
Base-Base interactions energy: -35.373
where: short stacking energy: -35.373
Base-Backbone interact. energy: -0.173
local terms energy: -59.243094
where:
bonds (distance) C4'-P energy: -10.385
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -14.843
flat angles P-C4'-P energy: -14.462
tors. eta vs tors. theta energy: -5.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -114.459212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.459212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.459212 (E_RNA)
where:
Base-Base interactions energy: -55.495
where: short stacking energy: -47.281
Base-Backbone interact. energy: -0.009
local terms energy: -58.954990
where:
bonds (distance) C4'-P energy: -15.633
bonds (distance) P-C4' energy: -12.858
flat angles C4'-P-C4' energy: -11.270
flat angles P-C4'-P energy: -7.188
tors. eta vs tors. theta energy: -12.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -84.834131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.834131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.834131 (E_RNA)
where:
Base-Base interactions energy: -34.576
where: short stacking energy: -21.693
Base-Backbone interact. energy: -0.734
local terms energy: -49.524441
where:
bonds (distance) C4'-P energy: -10.509
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -12.697
flat angles P-C4'-P energy: -5.365
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: 10, replica: 1
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -77.905758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.905758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.905758 (E_RNA)
where:
Base-Base interactions energy: -24.506
where: short stacking energy: -20.649
Base-Backbone interact. energy: -0.406
local terms energy: -52.993848
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -9.794
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: 1, replica: 8
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -219.538971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.538971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.538971 (E_RNA)
where:
Base-Base interactions energy: -149.904
where: short stacking energy: -66.650
Base-Backbone interact. energy: -0.028
local terms energy: -69.607261
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -12.143
flat angles C4'-P-C4' energy: -15.321
flat angles P-C4'-P energy: -12.776
tors. eta vs tors. theta energy: -16.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -220.862088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.862088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.862088 (E_RNA)
where:
Base-Base interactions energy: -143.685
where: short stacking energy: -71.991
Base-Backbone interact. energy: 0.134
local terms energy: -77.311311
where:
bonds (distance) C4'-P energy: -16.503
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -16.362
flat angles P-C4'-P energy: -9.957
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: 3, replica: 6
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -210.396198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.396198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.396198 (E_RNA)
where:
Base-Base interactions energy: -137.870
where: short stacking energy: -67.159
Base-Backbone interact. energy: -0.392
local terms energy: -72.135142
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -11.858
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -13.161
tors. eta vs tors. theta energy: -19.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -194.785307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.785307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.785307 (E_RNA)
where:
Base-Base interactions energy: -128.625
where: short stacking energy: -63.182
Base-Backbone interact. energy: 0.744
local terms energy: -66.903855
where:
bonds (distance) C4'-P energy: -12.334
bonds (distance) P-C4' energy: -10.572
flat angles C4'-P-C4' energy: -17.622
flat angles P-C4'-P energy: -9.121
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: 5, replica: 7
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -142.536492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.536492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.536492 (E_RNA)
where:
Base-Base interactions energy: -82.438
where: short stacking energy: -35.130
Base-Backbone interact. energy: 0.834
local terms energy: -60.932063
where:
bonds (distance) C4'-P energy: -10.870
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -18.399
flat angles P-C4'-P energy: -6.544
tors. eta vs tors. theta energy: -7.894
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: 4
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -150.226726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.226726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.226726 (E_RNA)
where:
Base-Base interactions energy: -91.604
where: short stacking energy: -45.015
Base-Backbone interact. energy: -0.021
local terms energy: -58.601248
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -10.302
flat angles C4'-P-C4' energy: -13.620
flat angles P-C4'-P energy: -8.116
tors. eta vs tors. theta energy: -10.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -111.930551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.930551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.930551 (E_RNA)
where:
Base-Base interactions energy: -62.516
where: short stacking energy: -33.340
Base-Backbone interact. energy: 1.748
local terms energy: -51.162465
where:
bonds (distance) C4'-P energy: -12.367
bonds (distance) P-C4' energy: -14.258
flat angles C4'-P-C4' energy: -13.221
flat angles P-C4'-P energy: -7.273
tors. eta vs tors. theta energy: -4.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -81.394175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.394175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.394175 (E_RNA)
where:
Base-Base interactions energy: -36.601
where: short stacking energy: -30.633
Base-Backbone interact. energy: -0.208
local terms energy: -44.585496
where:
bonds (distance) C4'-P energy: -10.837
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -12.607
flat angles P-C4'-P energy: -3.460
tors. eta vs tors. theta energy: -2.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -78.305629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.305629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.305629 (E_RNA)
where:
Base-Base interactions energy: -27.945
where: short stacking energy: -15.381
Base-Backbone interact. energy: -0.024
local terms energy: -50.336081
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -16.943
flat angles C4'-P-C4' energy: -12.121
flat angles P-C4'-P energy: -10.004
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: 10, replica: 10
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -77.499997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.499997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.499997 (E_RNA)
where:
Base-Base interactions energy: -28.851
where: short stacking energy: -28.951
Base-Backbone interact. energy: -0.254
local terms energy: -48.394250
where:
bonds (distance) C4'-P energy: -14.222
bonds (distance) P-C4' energy: -13.327
flat angles C4'-P-C4' energy: -11.984
flat angles P-C4'-P energy: -1.179
tors. eta vs tors. theta energy: -7.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -216.438613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.438613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.438613 (E_RNA)
where:
Base-Base interactions energy: -138.424
where: short stacking energy: -72.526
Base-Backbone interact. energy: -0.072
local terms energy: -77.943024
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: -22.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -207.413887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.413887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.413887 (E_RNA)
where:
Base-Base interactions energy: -133.500
where: short stacking energy: -66.514
Base-Backbone interact. energy: -0.131
local terms energy: -73.783006
where:
bonds (distance) C4'-P energy: -16.884
bonds (distance) P-C4' energy: -12.878
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -9.383
tors. eta vs tors. theta energy: -18.558
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: 489
Temperature: 1.000000
Total energy: -211.783037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.783037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.783037 (E_RNA)
where:
Base-Base interactions energy: -139.930
where: short stacking energy: -77.006
Base-Backbone interact. energy: -0.031
local terms energy: -71.821912
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -14.251
flat angles P-C4'-P energy: -7.486
tors. eta vs tors. theta energy: -20.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -196.725281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.725281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.725281 (E_RNA)
where:
Base-Base interactions energy: -129.715
where: short stacking energy: -60.120
Base-Backbone interact. energy: -1.100
local terms energy: -65.909369
where:
bonds (distance) C4'-P energy: -10.533
bonds (distance) P-C4' energy: -12.372
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -12.670
tors. eta vs tors. theta energy: -15.330
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: 5, replica: 7
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -145.843556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.843556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.843556 (E_RNA)
where:
Base-Base interactions energy: -81.884
where: short stacking energy: -55.649
Base-Backbone interact. energy: -0.012
local terms energy: -63.947631
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -12.243
flat angles C4'-P-C4' energy: -17.156
flat angles P-C4'-P energy: -6.027
tors. eta vs tors. theta energy: -14.157
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: 3
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -137.243204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.243204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.243204 (E_RNA)
where:
Base-Base interactions energy: -79.519
where: short stacking energy: -38.337
Base-Backbone interact. energy: -0.105
local terms energy: -57.618680
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -11.344
flat angles C4'-P-C4' energy: -12.343
flat angles P-C4'-P energy: -12.136
tors. eta vs tors. theta energy: -5.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -165.274003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.274003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.274003 (E_RNA)
where:
Base-Base interactions energy: -109.926
where: short stacking energy: -56.751
Base-Backbone interact. energy: -0.029
local terms energy: -55.318950
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -9.838
flat angles C4'-P-C4' energy: -10.833
flat angles P-C4'-P energy: -2.956
tors. eta vs tors. theta energy: -16.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -82.621272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.621272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.621272 (E_RNA)
where:
Base-Base interactions energy: -36.390
where: short stacking energy: -27.145
Base-Backbone interact. energy: 1.735
local terms energy: -47.966620
where:
bonds (distance) C4'-P energy: -10.099
bonds (distance) P-C4' energy: -16.126
flat angles C4'-P-C4' energy: -10.922
flat angles P-C4'-P energy: -7.198
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: 9, replica: 9
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -73.922161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.922161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.922161 (E_RNA)
where:
Base-Base interactions energy: -32.167
where: short stacking energy: -27.957
Base-Backbone interact. energy: -0.132
local terms energy: -41.622891
where:
bonds (distance) C4'-P energy: -7.194
bonds (distance) P-C4' energy: -12.460
flat angles C4'-P-C4' energy: -13.336
flat angles P-C4'-P energy: -4.778
tors. eta vs tors. theta energy: -3.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -87.261574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.261574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.261574 (E_RNA)
where:
Base-Base interactions energy: -39.078
where: short stacking energy: -19.238
Base-Backbone interact. energy: 1.004
local terms energy: -49.186855
where:
bonds (distance) C4'-P energy: -12.989
bonds (distance) P-C4' energy: -12.783
flat angles C4'-P-C4' energy: -12.705
flat angles P-C4'-P energy: -6.920
tors. eta vs tors. theta energy: -3.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -217.070131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.070131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.070131 (E_RNA)
where:
Base-Base interactions energy: -139.596
where: short stacking energy: -70.249
Base-Backbone interact. energy: -0.349
local terms energy: -77.124902
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -16.106
flat angles P-C4'-P energy: -9.669
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: 2, replica: 6
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -219.217570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.217570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.217570 (E_RNA)
where:
Base-Base interactions energy: -147.774
where: short stacking energy: -70.962
Base-Backbone interact. energy: -0.003
local terms energy: -71.439968
where:
bonds (distance) C4'-P energy: -11.154
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -11.574
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: 3, replica: 5
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -212.638367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.638367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.638367 (E_RNA)
where:
Base-Base interactions energy: -132.185
where: short stacking energy: -66.540
Base-Backbone interact. energy: -0.097
local terms energy: -80.355620
where:
bonds (distance) C4'-P energy: -13.938
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -14.214
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: 4, replica: 2
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -200.023164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.023164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.023164 (E_RNA)
where:
Base-Base interactions energy: -126.912
where: short stacking energy: -58.841
Base-Backbone interact. energy: -0.074
local terms energy: -73.036798
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -12.160
tors. eta vs tors. theta energy: -15.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -135.084871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.084871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.084871 (E_RNA)
where:
Base-Base interactions energy: -78.842
where: short stacking energy: -39.249
Base-Backbone interact. energy: -0.703
local terms energy: -55.540313
where:
bonds (distance) C4'-P energy: -8.857
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -18.329
flat angles P-C4'-P energy: -9.623
tors. eta vs tors. theta energy: -4.416
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: 7
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -141.173852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.173852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.173852 (E_RNA)
where:
Base-Base interactions energy: -79.689
where: short stacking energy: -49.435
Base-Backbone interact. energy: -1.376
local terms energy: -60.109142
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -8.939
flat angles C4'-P-C4' energy: -14.886
flat angles P-C4'-P energy: -7.383
tors. eta vs tors. theta energy: -13.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -134.927956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.927956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.927956 (E_RNA)
where:
Base-Base interactions energy: -80.276
where: short stacking energy: -30.829
Base-Backbone interact. energy: 1.488
local terms energy: -56.139300
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -15.521
flat angles P-C4'-P energy: -8.221
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: 8, replica: 1
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -89.193607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.193607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.193607 (E_RNA)
where:
Base-Base interactions energy: -39.147
where: short stacking energy: -33.350
Base-Backbone interact. energy: -0.146
local terms energy: -49.900204
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -9.000
flat angles C4'-P-C4' energy: -9.528
flat angles P-C4'-P energy: -9.048
tors. eta vs tors. theta energy: -8.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -77.136227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.136227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.136227 (E_RNA)
where:
Base-Base interactions energy: -22.899
where: short stacking energy: -21.603
Base-Backbone interact. energy: -0.307
local terms energy: -53.930112
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -5.546
tors. eta vs tors. theta energy: -3.604
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: 9
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -72.392301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.392301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.392301 (E_RNA)
where:
Base-Base interactions energy: -20.690
where: short stacking energy: -14.563
Base-Backbone interact. energy: -0.186
local terms energy: -51.515628
where:
bonds (distance) C4'-P energy: -10.519
bonds (distance) P-C4' energy: -15.003
flat angles C4'-P-C4' energy: -15.740
flat angles P-C4'-P energy: -5.406
tors. eta vs tors. theta energy: -4.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -217.660031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.660031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.660031 (E_RNA)
where:
Base-Base interactions energy: -142.435
where: short stacking energy: -63.285
Base-Backbone interact. energy: -0.066
local terms energy: -75.158333
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -16.578
flat angles P-C4'-P energy: -14.613
tors. eta vs tors. theta energy: -16.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -211.457256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.457256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.457256 (E_RNA)
where:
Base-Base interactions energy: -131.903
where: short stacking energy: -76.249
Base-Backbone interact. energy: -0.001
local terms energy: -79.553079
where:
bonds (distance) C4'-P energy: -12.543
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -18.725
flat angles P-C4'-P energy: -12.795
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: 3, replica: 6
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -215.447992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.447992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.447992 (E_RNA)
where:
Base-Base interactions energy: -130.479
where: short stacking energy: -72.417
Base-Backbone interact. energy: -1.194
local terms energy: -83.775436
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: -23.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -194.828787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.828787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.828787 (E_RNA)
where:
Base-Base interactions energy: -126.826
where: short stacking energy: -57.237
Base-Backbone interact. energy: 0.281
local terms energy: -68.284122
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -15.835
flat angles C4'-P-C4' energy: -13.165
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: -15.103
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: 3
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -137.096071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.096071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.096071 (E_RNA)
where:
Base-Base interactions energy: -76.106
where: short stacking energy: -37.767
Base-Backbone interact. energy: 0.187
local terms energy: -61.177104
where:
bonds (distance) C4'-P energy: -16.665
bonds (distance) P-C4' energy: -16.264
flat angles C4'-P-C4' energy: -12.105
flat angles P-C4'-P energy: -11.117
tors. eta vs tors. theta energy: -5.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -155.904185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.904185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.904185 (E_RNA)
where:
Base-Base interactions energy: -98.772
where: short stacking energy: -47.438
Base-Backbone interact. energy: -0.544
local terms energy: -56.588105
where:
bonds (distance) C4'-P energy: -10.502
bonds (distance) P-C4' energy: -11.371
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -8.426
tors. eta vs tors. theta energy: -11.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -85.667224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.667224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.667224 (E_RNA)
where:
Base-Base interactions energy: -31.033
where: short stacking energy: -27.987
Base-Backbone interact. energy: -0.323
local terms energy: -54.310786
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -13.741
flat angles C4'-P-C4' energy: -13.143
flat angles P-C4'-P energy: -8.787
tors. eta vs tors. theta energy: -4.492
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: 10
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -84.309312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.309312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.309312 (E_RNA)
where:
Base-Base interactions energy: -38.974
where: short stacking energy: -33.499
Base-Backbone interact. energy: -0.371
local terms energy: -44.964861
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -9.183
flat angles C4'-P-C4' energy: -13.352
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: -1.952
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: 1
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -85.806948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.806948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.806948 (E_RNA)
where:
Base-Base interactions energy: -31.605
where: short stacking energy: -31.605
Base-Backbone interact. energy: -0.331
local terms energy: -53.870643
where:
bonds (distance) C4'-P energy: -11.982
bonds (distance) P-C4' energy: -13.039
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -4.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -67.494559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.494559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.494559 (E_RNA)
where:
Base-Base interactions energy: -25.571
where: short stacking energy: -23.639
Base-Backbone interact. energy: 0.359
local terms energy: -42.282016
where:
bonds (distance) C4'-P energy: -9.396
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -15.054
flat angles P-C4'-P energy: -4.059
tors. eta vs tors. theta energy: 2.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -219.663540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.663540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.663540 (E_RNA)
where:
Base-Base interactions energy: -142.914
where: short stacking energy: -77.194
Base-Backbone interact. energy: -0.052
local terms energy: -76.697418
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -13.165
flat angles C4'-P-C4' energy: -17.459
flat angles P-C4'-P energy: -10.999
tors. eta vs tors. theta energy: -18.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -214.394320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.394320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.394320 (E_RNA)
where:
Base-Base interactions energy: -139.533
where: short stacking energy: -66.985
Base-Backbone interact. energy: -0.114
local terms energy: -74.747884
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -16.695
flat angles C4'-P-C4' energy: -16.955
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -15.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -212.858480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.858480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.858480 (E_RNA)
where:
Base-Base interactions energy: -131.839
where: short stacking energy: -66.612
Base-Backbone interact. energy: -0.817
local terms energy: -80.203058
where:
bonds (distance) C4'-P energy: -15.168
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -16.539
flat angles P-C4'-P energy: -11.953
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: 4, replica: 6
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -202.871619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.871619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.871619 (E_RNA)
where:
Base-Base interactions energy: -124.236
where: short stacking energy: -63.625
Base-Backbone interact. energy: -0.149
local terms energy: -78.487022
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -16.932
flat angles P-C4'-P energy: -14.570
tors. eta vs tors. theta energy: -19.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -153.385573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.385573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.385573 (E_RNA)
where:
Base-Base interactions energy: -91.637
where: short stacking energy: -47.424
Base-Backbone interact. energy: -0.044
local terms energy: -61.704027
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -11.999
flat angles C4'-P-C4' energy: -13.173
flat angles P-C4'-P energy: -9.417
tors. eta vs tors. theta energy: -11.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -143.419317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.419317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.419317 (E_RNA)
where:
Base-Base interactions energy: -74.371
where: short stacking energy: -51.693
Base-Backbone interact. energy: -0.095
local terms energy: -68.954150
where:
bonds (distance) C4'-P energy: -14.632
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -17.722
flat angles P-C4'-P energy: -10.616
tors. eta vs tors. theta energy: -9.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -104.857609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.857609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.857609 (E_RNA)
where:
Base-Base interactions energy: -42.266
where: short stacking energy: -33.548
Base-Backbone interact. energy: -0.299
local terms energy: -62.292001
where:
bonds (distance) C4'-P energy: -17.062
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -15.085
flat angles P-C4'-P energy: -7.282
tors. eta vs tors. theta energy: -7.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -102.358043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.358043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.358043 (E_RNA)
where:
Base-Base interactions energy: -38.570
where: short stacking energy: -36.691
Base-Backbone interact. energy: -0.017
local terms energy: -63.770925
where:
bonds (distance) C4'-P energy: -15.832
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -14.574
flat angles P-C4'-P energy: -8.470
tors. eta vs tors. theta energy: -7.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -81.325673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.325673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.325673 (E_RNA)
where:
Base-Base interactions energy: -29.545
where: short stacking energy: -24.617
Base-Backbone interact. energy: 0.203
local terms energy: -51.983832
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -12.407
flat angles C4'-P-C4' energy: -10.019
flat angles P-C4'-P energy: -11.532
tors. eta vs tors. theta energy: -6.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -82.615045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.615045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.615045 (E_RNA)
where:
Base-Base interactions energy: -32.203
where: short stacking energy: -26.120
Base-Backbone interact. energy: -0.500
local terms energy: -49.911553
where:
bonds (distance) C4'-P energy: -13.600
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -13.631
flat angles P-C4'-P energy: -6.293
tors. eta vs tors. theta energy: -0.883
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: 5
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -222.796794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.796794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.796794 (E_RNA)
where:
Base-Base interactions energy: -141.698
where: short stacking energy: -74.216
Base-Backbone interact. energy: -0.891
local terms energy: -80.207729
where:
bonds (distance) C4'-P energy: -15.122
bonds (distance) P-C4' energy: -15.320
flat angles C4'-P-C4' energy: -18.040
flat angles P-C4'-P energy: -10.192
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: 2, replica: 2
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -213.005031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.005031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.005031 (E_RNA)
where:
Base-Base interactions energy: -138.183
where: short stacking energy: -63.750
Base-Backbone interact. energy: -0.727
local terms energy: -74.094844
where:
bonds (distance) C4'-P energy: -13.825
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -9.806
tors. eta vs tors. theta energy: -21.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -208.844290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.844290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.844290 (E_RNA)
where:
Base-Base interactions energy: -134.072
where: short stacking energy: -64.039
Base-Backbone interact. energy: -0.843
local terms energy: -73.929604
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -13.087
tors. eta vs tors. theta energy: -17.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -190.769757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.769757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.769757 (E_RNA)
where:
Base-Base interactions energy: -127.853
where: short stacking energy: -60.640
Base-Backbone interact. energy: -0.187
local terms energy: -62.729034
where:
bonds (distance) C4'-P energy: -7.179
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -8.479
tors. eta vs tors. theta energy: -15.850
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: 4
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -176.687031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.687031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.687031 (E_RNA)
where:
Base-Base interactions energy: -108.896
where: short stacking energy: -46.540
Base-Backbone interact. energy: -0.789
local terms energy: -67.002583
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -14.408
flat angles C4'-P-C4' energy: -14.404
flat angles P-C4'-P energy: -12.052
tors. eta vs tors. theta energy: -10.268
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: 493
Temperature: 1.150000
Total energy: -157.073329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.073329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.073329 (E_RNA)
where:
Base-Base interactions energy: -97.240
where: short stacking energy: -44.221
Base-Backbone interact. energy: -0.211
local terms energy: -59.622467
where:
bonds (distance) C4'-P energy: -9.671
bonds (distance) P-C4' energy: -14.489
flat angles C4'-P-C4' energy: -14.329
flat angles P-C4'-P energy: -10.194
tors. eta vs tors. theta energy: -10.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -96.466195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.466195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.466195 (E_RNA)
where:
Base-Base interactions energy: -35.640
where: short stacking energy: -34.988
Base-Backbone interact. energy: -0.110
local terms energy: -60.716095
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -11.205
flat angles P-C4'-P energy: -11.945
tors. eta vs tors. theta energy: -8.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -83.409333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.409333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.409333 (E_RNA)
where:
Base-Base interactions energy: -31.208
where: short stacking energy: -31.208
Base-Backbone interact. energy: -0.026
local terms energy: -52.175852
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -18.260
flat angles C4'-P-C4' energy: -11.095
flat angles P-C4'-P energy: -4.992
tors. eta vs tors. theta energy: -4.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -83.987288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.987288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.987288 (E_RNA)
where:
Base-Base interactions energy: -29.837
where: short stacking energy: -24.493
Base-Backbone interact. energy: 0.265
local terms energy: -54.415702
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -15.187
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -4.252
tors. eta vs tors. theta energy: -5.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -76.663031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.663031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.663031 (E_RNA)
where:
Base-Base interactions energy: -25.371
where: short stacking energy: -18.598
Base-Backbone interact. energy: -0.358
local terms energy: -50.933153
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -10.051
flat angles P-C4'-P energy: -8.105
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: 2
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -219.246302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.246302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.246302 (E_RNA)
where:
Base-Base interactions energy: -150.846
where: short stacking energy: -71.605
Base-Backbone interact. energy: -0.016
local terms energy: -68.384105
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -11.658
flat angles C4'-P-C4' energy: -13.330
flat angles P-C4'-P energy: -8.626
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: 5
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -223.186081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.186081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.186081 (E_RNA)
where:
Base-Base interactions energy: -146.313
where: short stacking energy: -73.306
Base-Backbone interact. energy: -0.003
local terms energy: -76.869893
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -16.513
flat angles P-C4'-P energy: -8.481
tors. eta vs tors. theta energy: -23.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -198.001482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.001482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.001482 (E_RNA)
where:
Base-Base interactions energy: -123.915
where: short stacking energy: -64.322
Base-Backbone interact. energy: -0.112
local terms energy: -73.974217
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -8.184
tors. eta vs tors. theta energy: -16.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -200.046154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.046154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.046154 (E_RNA)
where:
Base-Base interactions energy: -130.143
where: short stacking energy: -55.708
Base-Backbone interact. energy: -0.122
local terms energy: -69.781793
where:
bonds (distance) C4'-P energy: -14.030
bonds (distance) P-C4' energy: -17.946
flat angles C4'-P-C4' energy: -12.782
flat angles P-C4'-P energy: -7.390
tors. eta vs tors. theta energy: -17.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -158.971674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.971674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.971674 (E_RNA)
where:
Base-Base interactions energy: -96.195
where: short stacking energy: -52.334
Base-Backbone interact. energy: -0.147
local terms energy: -62.629167
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -14.577
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -9.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -181.670487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.670487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.670487 (E_RNA)
where:
Base-Base interactions energy: -117.385
where: short stacking energy: -65.021
Base-Backbone interact. energy: -0.008
local terms energy: -64.277873
where:
bonds (distance) C4'-P energy: -12.936
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -13.417
flat angles P-C4'-P energy: -8.340
tors. eta vs tors. theta energy: -15.222
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: 1
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -122.866314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.866314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.866314 (E_RNA)
where:
Base-Base interactions energy: -70.230
where: short stacking energy: -41.779
Base-Backbone interact. energy: 5.649
local terms energy: -58.285470
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -8.471
flat angles P-C4'-P energy: -11.401
tors. eta vs tors. theta energy: -9.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -78.015215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.015215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.015215 (E_RNA)
where:
Base-Base interactions energy: -29.750
where: short stacking energy: -20.602
Base-Backbone interact. energy: -0.137
local terms energy: -48.128045
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -9.500
flat angles C4'-P-C4' energy: -14.135
flat angles P-C4'-P energy: -8.169
tors. eta vs tors. theta energy: -1.252
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: 7
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -98.376033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.376033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.376033 (E_RNA)
where:
Base-Base interactions energy: -34.669
where: short stacking energy: -34.669
Base-Backbone interact. energy: 0.980
local terms energy: -64.686608
where:
bonds (distance) C4'-P energy: -14.259
bonds (distance) P-C4' energy: -15.407
flat angles C4'-P-C4' energy: -14.930
flat angles P-C4'-P energy: -9.199
tors. eta vs tors. theta energy: -10.892
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: 9
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -85.728898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.728898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.728898 (E_RNA)
where:
Base-Base interactions energy: -32.937
where: short stacking energy: -27.548
Base-Backbone interact. energy: 0.141
local terms energy: -52.933156
where:
bonds (distance) C4'-P energy: -13.480
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -11.731
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: -4.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -218.910436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.910436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.910436 (E_RNA)
where:
Base-Base interactions energy: -138.488
where: short stacking energy: -72.752
Base-Backbone interact. energy: -0.050
local terms energy: -80.373386
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -13.971
flat angles C4'-P-C4' energy: -16.885
flat angles P-C4'-P energy: -12.177
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: 5
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -208.014279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.014279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.014279 (E_RNA)
where:
Base-Base interactions energy: -136.008
where: short stacking energy: -67.433
Base-Backbone interact. energy: -0.278
local terms energy: -71.729074
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -13.055
flat angles P-C4'-P energy: -8.742
tors. eta vs tors. theta energy: -19.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -205.169239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.169239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.169239 (E_RNA)
where:
Base-Base interactions energy: -130.115
where: short stacking energy: -62.637
Base-Backbone interact. energy: 0.827
local terms energy: -75.881813
where:
bonds (distance) C4'-P energy: -15.590
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -17.052
flat angles P-C4'-P energy: -9.180
tors. eta vs tors. theta energy: -18.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -151.174353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.174353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.174353 (E_RNA)
where:
Base-Base interactions energy: -88.008
where: short stacking energy: -53.129
Base-Backbone interact. energy: -0.165
local terms energy: -63.000711
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -5.327
tors. eta vs tors. theta energy: -14.803
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: 5, replica: 8
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -205.744092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.744092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.744092 (E_RNA)
where:
Base-Base interactions energy: -136.214
where: short stacking energy: -71.602
Base-Backbone interact. energy: -0.077
local terms energy: -69.453247
where:
bonds (distance) C4'-P energy: -11.065
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -10.025
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: 4
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -141.590665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.590665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.590665 (E_RNA)
where:
Base-Base interactions energy: -87.730
where: short stacking energy: -43.863
Base-Backbone interact. energy: -0.077
local terms energy: -53.783711
where:
bonds (distance) C4'-P energy: -11.648
bonds (distance) P-C4' energy: -16.433
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -7.777
tors. eta vs tors. theta energy: -4.700
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: 1
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -92.156715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.156715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.156715 (E_RNA)
where:
Base-Base interactions energy: -40.008
where: short stacking energy: -21.393
Base-Backbone interact. energy: -0.266
local terms energy: -51.882576
where:
bonds (distance) C4'-P energy: -16.068
bonds (distance) P-C4' energy: -12.975
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: 0.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -82.183507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.183507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.183507 (E_RNA)
where:
Base-Base interactions energy: -32.236
where: short stacking energy: -31.388
Base-Backbone interact. energy: -0.023
local terms energy: -49.924518
where:
bonds (distance) C4'-P energy: -12.214
bonds (distance) P-C4' energy: -14.837
flat angles C4'-P-C4' energy: -17.498
flat angles P-C4'-P energy: -3.438
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: 9, replica: 10
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -77.120017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.120017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.120017 (E_RNA)
where:
Base-Base interactions energy: -37.435
where: short stacking energy: -37.435
Base-Backbone interact. energy: -0.257
local terms energy: -39.428134
where:
bonds (distance) C4'-P energy: -9.917
bonds (distance) P-C4' energy: -15.360
flat angles C4'-P-C4' energy: -8.924
flat angles P-C4'-P energy: -1.816
tors. eta vs tors. theta energy: -3.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -77.554779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.554779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.554779 (E_RNA)
where:
Base-Base interactions energy: -31.082
where: short stacking energy: -24.479
Base-Backbone interact. energy: -0.526
local terms energy: -45.946817
where:
bonds (distance) C4'-P energy: -12.950
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -11.865
flat angles P-C4'-P energy: -4.882
tors. eta vs tors. theta energy: -0.115
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: 5
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -222.630397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.630397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.630397 (E_RNA)
where:
Base-Base interactions energy: -143.999
where: short stacking energy: -70.361
Base-Backbone interact. energy: -0.049
local terms energy: -78.581975
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -16.913
flat angles P-C4'-P energy: -9.165
tors. eta vs tors. theta energy: -21.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -204.244581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.244581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.244581 (E_RNA)
where:
Base-Base interactions energy: -127.160
where: short stacking energy: -68.368
Base-Backbone interact. energy: -0.352
local terms energy: -76.733004
where:
bonds (distance) C4'-P energy: -17.192
bonds (distance) P-C4' energy: -10.855
flat angles C4'-P-C4' energy: -17.110
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -20.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -192.853370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.853370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.853370 (E_RNA)
where:
Base-Base interactions energy: -119.682
where: short stacking energy: -62.249
Base-Backbone interact. energy: -0.097
local terms energy: -73.074421
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -16.870
flat angles P-C4'-P energy: -10.582
tors. eta vs tors. theta energy: -15.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -167.475908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.475908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.475908 (E_RNA)
where:
Base-Base interactions energy: -102.403
where: short stacking energy: -54.622
Base-Backbone interact. energy: -0.015
local terms energy: -65.058552
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -14.856
flat angles P-C4'-P energy: -5.979
tors. eta vs tors. theta energy: -14.711
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: 4
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -152.185829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.185829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.185829 (E_RNA)
where:
Base-Base interactions energy: -92.742
where: short stacking energy: -52.691
Base-Backbone interact. energy: -0.238
local terms energy: -59.205907
where:
bonds (distance) C4'-P energy: -10.943
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -12.785
flat angles P-C4'-P energy: -7.838
tors. eta vs tors. theta energy: -11.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -201.979563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.979563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.979563 (E_RNA)
where:
Base-Base interactions energy: -130.110
where: short stacking energy: -59.919
Base-Backbone interact. energy: -0.311
local terms energy: -71.558116
where:
bonds (distance) C4'-P energy: -12.433
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -11.096
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: 7, replica: 7
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -87.694600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.694600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.694600 (E_RNA)
where:
Base-Base interactions energy: -33.593
where: short stacking energy: -33.593
Base-Backbone interact. energy: -0.042
local terms energy: -54.059748
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -6.659
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: 8, replica: 1
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -97.469772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.469772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.469772 (E_RNA)
where:
Base-Base interactions energy: -42.831
where: short stacking energy: -28.144
Base-Backbone interact. energy: -0.378
local terms energy: -54.260146
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -12.150
flat angles P-C4'-P energy: -8.178
tors. eta vs tors. theta energy: -6.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -80.003426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.003426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.003426 (E_RNA)
where:
Base-Base interactions energy: -33.889
where: short stacking energy: -20.364
Base-Backbone interact. energy: -0.009
local terms energy: -46.104725
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -12.126
flat angles C4'-P-C4' energy: -12.868
flat angles P-C4'-P energy: -9.398
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: 10
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -76.350986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.350986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.350986 (E_RNA)
where:
Base-Base interactions energy: -34.817
where: short stacking energy: -31.921
Base-Backbone interact. energy: 0.496
local terms energy: -42.029701
where:
bonds (distance) C4'-P energy: -9.271
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -7.398
flat angles P-C4'-P energy: -4.819
tors. eta vs tors. theta energy: -3.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -218.219939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.219939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.219939 (E_RNA)
where:
Base-Base interactions energy: -142.762
where: short stacking energy: -75.487
Base-Backbone interact. energy: -0.044
local terms energy: -75.413186
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -14.995
flat angles P-C4'-P energy: -10.483
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: 2, replica: 6
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -187.309441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.309441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.309441 (E_RNA)
where:
Base-Base interactions energy: -119.159
where: short stacking energy: -63.636
Base-Backbone interact. energy: -0.188
local terms energy: -67.963065
where:
bonds (distance) C4'-P energy: -11.839
bonds (distance) P-C4' energy: -14.190
flat angles C4'-P-C4' energy: -14.741
flat angles P-C4'-P energy: -11.151
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: 3, replica: 2
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -207.739687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.739687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.739687 (E_RNA)
where:
Base-Base interactions energy: -124.094
where: short stacking energy: -57.873
Base-Backbone interact. energy: 1.061
local terms energy: -84.707315
where:
bonds (distance) C4'-P energy: -15.725
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -17.301
flat angles P-C4'-P energy: -14.658
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: 4
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -147.632132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.632132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.632132 (E_RNA)
where:
Base-Base interactions energy: -85.158
where: short stacking energy: -50.217
Base-Backbone interact. energy: -0.064
local terms energy: -62.410635
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -11.275
flat angles C4'-P-C4' energy: -17.238
flat angles P-C4'-P energy: -8.614
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: 5, replica: 3
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -175.603638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.603638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.603638 (E_RNA)
where:
Base-Base interactions energy: -113.129
where: short stacking energy: -58.510
Base-Backbone interact. energy: -0.616
local terms energy: -61.858225
where:
bonds (distance) C4'-P energy: -8.051
bonds (distance) P-C4' energy: -13.893
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -11.283
tors. eta vs tors. theta energy: -14.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -183.428319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.428319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.428319 (E_RNA)
where:
Base-Base interactions energy: -124.324
where: short stacking energy: -59.678
Base-Backbone interact. energy: -0.032
local terms energy: -59.072632
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -9.104
flat angles C4'-P-C4' energy: -13.616
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: -11.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -86.896091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.896091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.896091 (E_RNA)
where:
Base-Base interactions energy: -34.197
where: short stacking energy: -33.416
Base-Backbone interact. energy: 0.267
local terms energy: -52.966831
where:
bonds (distance) C4'-P energy: -11.412
bonds (distance) P-C4' energy: -15.292
flat angles C4'-P-C4' energy: -12.965
flat angles P-C4'-P energy: -10.170
tors. eta vs tors. theta energy: -3.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -85.205363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.205363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.205363 (E_RNA)
where:
Base-Base interactions energy: -39.476
where: short stacking energy: -34.756
Base-Backbone interact. energy: -0.063
local terms energy: -45.666277
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -11.607
flat angles C4'-P-C4' energy: -10.768
flat angles P-C4'-P energy: -5.038
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: 497
Temperature: 1.300000
Total energy: -76.800436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.800436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.800436 (E_RNA)
where:
Base-Base interactions energy: -26.488
where: short stacking energy: -26.488
Base-Backbone interact. energy: -0.024
local terms energy: -50.288448
where:
bonds (distance) C4'-P energy: -10.480
bonds (distance) P-C4' energy: -13.345
flat angles C4'-P-C4' energy: -15.612
flat angles P-C4'-P energy: -8.282
tors. eta vs tors. theta energy: -2.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -85.641028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.641028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.641028 (E_RNA)
where:
Base-Base interactions energy: -41.530
where: short stacking energy: -27.863
Base-Backbone interact. energy: -0.047
local terms energy: -44.064324
where:
bonds (distance) C4'-P energy: -8.586
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -11.781
flat angles P-C4'-P energy: -5.803
tors. eta vs tors. theta energy: -4.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -220.924370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.924370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.924370 (E_RNA)
where:
Base-Base interactions energy: -137.548
where: short stacking energy: -70.646
Base-Backbone interact. energy: -0.056
local terms energy: -83.320135
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -13.686
tors. eta vs tors. theta energy: -21.777
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: 2, replica: 6
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -201.793838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.793838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.793838 (E_RNA)
where:
Base-Base interactions energy: -122.189
where: short stacking energy: -67.039
Base-Backbone interact. energy: -0.053
local terms energy: -79.551729
where:
bonds (distance) C4'-P energy: -15.919
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -16.242
flat angles P-C4'-P energy: -10.824
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: 3, replica: 2
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -213.604121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.604121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.604121 (E_RNA)
where:
Base-Base interactions energy: -136.609
where: short stacking energy: -66.144
Base-Backbone interact. energy: -2.049
local terms energy: -74.945411
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -10.885
flat angles C4'-P-C4' energy: -16.392
flat angles P-C4'-P energy: -11.624
tors. eta vs tors. theta energy: -20.767
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: 4
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -172.190652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.190652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.190652 (E_RNA)
where:
Base-Base interactions energy: -108.164
where: short stacking energy: -46.250
Base-Backbone interact. energy: 0.075
local terms energy: -64.100961
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -11.217
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: 5, replica: 8
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -187.306120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.306120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.306120 (E_RNA)
where:
Base-Base interactions energy: -114.766
where: short stacking energy: -60.951
Base-Backbone interact. energy: -0.003
local terms energy: -72.536312
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -14.351
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -11.264
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: 6, replica: 3
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -181.930609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.930609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.930609 (E_RNA)
where:
Base-Base interactions energy: -124.376
where: short stacking energy: -58.212
Base-Backbone interact. energy: -0.001
local terms energy: -57.553806
where:
bonds (distance) C4'-P energy: -9.710
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -12.574
flat angles P-C4'-P energy: -6.212
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: 7, replica: 9
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -86.817902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.817902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.817902 (E_RNA)
where:
Base-Base interactions energy: -37.275
where: short stacking energy: -25.417
Base-Backbone interact. energy: -0.148
local terms energy: -49.395832
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -13.116
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: 0.240
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: 7
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -91.641616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.641616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.641616 (E_RNA)
where:
Base-Base interactions energy: -40.324
where: short stacking energy: -40.324
Base-Backbone interact. energy: -0.061
local terms energy: -51.257291
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -10.691
flat angles P-C4'-P energy: -8.712
tors. eta vs tors. theta energy: -7.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -82.958195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.958195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.958195 (E_RNA)
where:
Base-Base interactions energy: -28.099
where: short stacking energy: -25.128
Base-Backbone interact. energy: -0.171
local terms energy: -54.688359
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -12.229
flat angles P-C4'-P energy: -9.487
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: 10, replica: 1
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -73.163986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.163986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.163986 (E_RNA)
where:
Base-Base interactions energy: -33.458
where: short stacking energy: -15.745
Base-Backbone interact. energy: 0.151
local terms energy: -39.857244
where:
bonds (distance) C4'-P energy: -12.371
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -7.216
flat angles P-C4'-P energy: -5.286
tors. eta vs tors. theta energy: 0.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -220.219227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.219227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.219227 (E_RNA)
where:
Base-Base interactions energy: -143.766
where: short stacking energy: -76.295
Base-Backbone interact. energy: 1.506
local terms energy: -77.958763
where:
bonds (distance) C4'-P energy: -14.980
bonds (distance) P-C4' energy: -14.736
flat angles C4'-P-C4' energy: -18.922
flat angles P-C4'-P energy: -9.168
tors. eta vs tors. theta energy: -20.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -226.355579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.355579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.355579 (E_RNA)
where:
Base-Base interactions energy: -142.387
where: short stacking energy: -75.793
Base-Backbone interact. energy: -0.345
local terms energy: -83.624369
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -17.529
flat angles P-C4'-P energy: -11.311
tors. eta vs tors. theta energy: -23.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -194.193094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.193094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.193094 (E_RNA)
where:
Base-Base interactions energy: -128.792
where: short stacking energy: -63.304
Base-Backbone interact. energy: -0.009
local terms energy: -65.392473
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -14.815
flat angles C4'-P-C4' energy: -14.329
flat angles P-C4'-P energy: -5.883
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: 4, replica: 8
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -189.425095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.425095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.425095 (E_RNA)
where:
Base-Base interactions energy: -118.384
where: short stacking energy: -58.581
Base-Backbone interact. energy: -0.154
local terms energy: -70.887093
where:
bonds (distance) C4'-P energy: -16.189
bonds (distance) P-C4' energy: -13.462
flat angles C4'-P-C4' energy: -11.422
flat angles P-C4'-P energy: -13.271
tors. eta vs tors. theta energy: -16.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -192.541272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.541272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.541272 (E_RNA)
where:
Base-Base interactions energy: -132.444
where: short stacking energy: -60.388
Base-Backbone interact. energy: -0.322
local terms energy: -59.775321
where:
bonds (distance) C4'-P energy: -11.035
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -12.675
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -10.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -180.991146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.991146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.991146 (E_RNA)
where:
Base-Base interactions energy: -115.804
where: short stacking energy: -58.745
Base-Backbone interact. energy: -0.441
local terms energy: -64.745855
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -12.652
flat angles P-C4'-P energy: -8.529
tors. eta vs tors. theta energy: -16.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -85.212321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.212321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.212321 (E_RNA)
where:
Base-Base interactions energy: -32.294
where: short stacking energy: -29.105
Base-Backbone interact. energy: -0.000
local terms energy: -52.918347
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -10.099
flat angles P-C4'-P energy: -5.527
tors. eta vs tors. theta energy: -8.832
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: 8, replica: 10
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -93.219843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.219843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.219843 (E_RNA)
where:
Base-Base interactions energy: -47.039
where: short stacking energy: -42.843
Base-Backbone interact. energy: -0.168
local terms energy: -46.013188
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -13.277
flat angles C4'-P-C4' energy: -11.303
flat angles P-C4'-P energy: -3.165
tors. eta vs tors. theta energy: -5.200
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: 7
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -103.347813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.347813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.347813 (E_RNA)
where:
Base-Base interactions energy: -45.246
where: short stacking energy: -32.229
Base-Backbone interact. energy: -0.351
local terms energy: -57.750794
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -6.487
flat angles P-C4'-P energy: -12.124
tors. eta vs tors. theta energy: -5.038
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: 499
Temperature: 1.350000
Total energy: -82.235241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.235241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.235241 (E_RNA)
where:
Base-Base interactions energy: -32.829
where: short stacking energy: -28.112
Base-Backbone interact. energy: -0.169
local terms energy: -49.236945
where:
bonds (distance) C4'-P energy: -15.982
bonds (distance) P-C4' energy: -13.536
flat angles C4'-P-C4' energy: -9.562
flat angles P-C4'-P energy: -5.710
tors. eta vs tors. theta energy: -4.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -222.048490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.048490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.048490 (E_RNA)
where:
Base-Base interactions energy: -147.085
where: short stacking energy: -76.538
Base-Backbone interact. energy: -0.036
local terms energy: -74.926964
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -16.709
flat angles P-C4'-P energy: -11.835
tors. eta vs tors. theta energy: -17.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -213.389771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.389771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.389771 (E_RNA)
where:
Base-Base interactions energy: -135.314
where: short stacking energy: -72.343
Base-Backbone interact. energy: -0.015
local terms energy: -78.060525
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -14.798
flat angles C4'-P-C4' energy: -16.411
flat angles P-C4'-P energy: -11.720
tors. eta vs tors. theta energy: -22.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -195.222581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.222581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.222581 (E_RNA)
where:
Base-Base interactions energy: -114.032
where: short stacking energy: -61.620
Base-Backbone interact. energy: -0.940
local terms energy: -80.251341
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -18.618
flat angles P-C4'-P energy: -11.631
tors. eta vs tors. theta energy: -17.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -187.916744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.916744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.916744 (E_RNA)
where:
Base-Base interactions energy: -119.520
where: short stacking energy: -64.092
Base-Backbone interact. energy: -0.174
local terms energy: -68.222153
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -11.502
flat angles C4'-P-C4' energy: -12.056
flat angles P-C4'-P energy: -11.943
tors. eta vs tors. theta energy: -19.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -193.816433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.816433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.816433 (E_RNA)
where:
Base-Base interactions energy: -130.674
where: short stacking energy: -58.831
Base-Backbone interact. energy: -0.355
local terms energy: -62.787170
where:
bonds (distance) C4'-P energy: -10.625
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -10.483
tors. eta vs tors. theta energy: -11.418
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: 3
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -178.872389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.872389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.872389 (E_RNA)
where:
Base-Base interactions energy: -116.558
where: short stacking energy: -53.739
Base-Backbone interact. energy: -0.086
local terms energy: -62.227698
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -15.257
flat angles P-C4'-P energy: -9.775
tors. eta vs tors. theta energy: -13.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -116.322655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.322655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.322655 (E_RNA)
where:
Base-Base interactions energy: -66.152
where: short stacking energy: -40.133
Base-Backbone interact. energy: -0.129
local terms energy: -50.041971
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -8.416
flat angles P-C4'-P energy: -5.779
tors. eta vs tors. theta energy: -9.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -87.641650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.641650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.641650 (E_RNA)
where:
Base-Base interactions energy: -41.023
where: short stacking energy: -19.831
Base-Backbone interact. energy: -0.455
local terms energy: -46.163662
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -11.972
flat angles C4'-P-C4' energy: -15.247
flat angles P-C4'-P energy: -3.048
tors. eta vs tors. theta energy: -1.170
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: 9, replica: 1
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -79.877428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.877428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.877428 (E_RNA)
where:
Base-Base interactions energy: -27.327
where: short stacking energy: -24.944
Base-Backbone interact. energy: 0.001
local terms energy: -52.550998
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -7.752
tors. eta vs tors. theta energy: -3.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -83.509357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.509357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.509357 (E_RNA)
where:
Base-Base interactions energy: -35.444
where: short stacking energy: -27.638
Base-Backbone interact. energy: 1.370
local terms energy: -49.435616
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -14.655
flat angles C4'-P-C4' energy: -11.685
flat angles P-C4'-P energy: -4.323
tors. eta vs tors. theta energy: -4.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -220.089338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.089338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.089338 (E_RNA)
where:
Base-Base interactions energy: -143.286
where: short stacking energy: -71.986
Base-Backbone interact. energy: -0.005
local terms energy: -76.798567
where:
bonds (distance) C4'-P energy: -16.859
bonds (distance) P-C4' energy: -11.059
flat angles C4'-P-C4' energy: -17.452
flat angles P-C4'-P energy: -12.030
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: 2, replica: 6
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -213.566484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.566484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.566484 (E_RNA)
where:
Base-Base interactions energy: -140.613
where: short stacking energy: -70.375
Base-Backbone interact. energy: -0.071
local terms energy: -72.883078
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -12.036
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -11.800
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: 3, replica: 2
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -214.128289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.128289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.128289 (E_RNA)
where:
Base-Base interactions energy: -140.088
where: short stacking energy: -67.473
Base-Backbone interact. energy: -0.165
local terms energy: -73.876039
where:
bonds (distance) C4'-P energy: -16.810
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -9.698
tors. eta vs tors. theta energy: -14.336
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: 4
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -210.557269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.557269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.557269 (E_RNA)
where:
Base-Base interactions energy: -137.888
where: short stacking energy: -62.787
Base-Backbone interact. energy: -0.402
local terms energy: -72.267370
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -14.132
flat angles P-C4'-P energy: -13.007
tors. eta vs tors. theta energy: -18.034
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: 501
Temperature: 1.100000
Total energy: -187.396679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.396679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.396679 (E_RNA)
where:
Base-Base interactions energy: -116.734
where: short stacking energy: -56.248
Base-Backbone interact. energy: 0.290
local terms energy: -70.952418
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -10.920
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: 6, replica: 3
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -199.685463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.685463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.685463 (E_RNA)
where:
Base-Base interactions energy: -133.350
where: short stacking energy: -70.676
Base-Backbone interact. energy: -0.061
local terms energy: -66.274367
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -10.307
flat angles C4'-P-C4' energy: -11.952
flat angles P-C4'-P energy: -7.622
tors. eta vs tors. theta energy: -22.059
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: 10
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -105.070459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.070459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.070459 (E_RNA)
where:
Base-Base interactions energy: -57.960
where: short stacking energy: -30.873
Base-Backbone interact. energy: -0.208
local terms energy: -46.901516
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -2.403
tors. eta vs tors. theta energy: 0.842
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: 1
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -85.403985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.403985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.403985 (E_RNA)
where:
Base-Base interactions energy: -32.767
where: short stacking energy: -20.175
Base-Backbone interact. energy: -0.713
local terms energy: -51.924562
where:
bonds (distance) C4'-P energy: -15.844
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -9.199
tors. eta vs tors. theta energy: 2.541
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: 9
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -92.305322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.305322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.305322 (E_RNA)
where:
Base-Base interactions energy: -32.590
where: short stacking energy: -32.407
Base-Backbone interact. energy: -0.130
local terms energy: -59.585595
where:
bonds (distance) C4'-P energy: -13.168
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -11.093
flat angles P-C4'-P energy: -10.909
tors. eta vs tors. theta energy: -7.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -85.212143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.212143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.212143 (E_RNA)
where:
Base-Base interactions energy: -39.236
where: short stacking energy: -25.851
Base-Backbone interact. energy: 0.336
local terms energy: -46.312047
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -15.331
flat angles P-C4'-P energy: -0.187
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)
replica 6 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 14560843
moves confirmed later: 16579822
all moves confirmed: 31140665
percent of confirmed moves: 3.892583
current total energy: -194.545459
recalc. total energy: -194.545459
replica 5 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 22781073
moves confirmed later: 27577755
all moves confirmed: 50358828
percent of confirmed moves: 6.294854
current total energy: -171.964739
recalc. total energy: -171.964739
replica 2 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 14503954
moves confirmed later: 16478847
all moves confirmed: 30982801
percent of confirmed moves: 3.872850
current total energy: -192.920674
recalc. total energy: -192.920674
replica 4 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 13265902
moves confirmed later: 14836191
all moves confirmed: 28102093
percent of confirmed moves: 3.512762
current total energy: -150.449344
recalc. total energy: -150.449344
replica 3 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 23703260
moves confirmed later: 28842214
all moves confirmed: 52545474
percent of confirmed moves: 6.568184
current total energy: -146.871004
recalc. total energy: -146.871004
replica 8 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 19061780
moves confirmed later: 22618865
all moves confirmed: 41680645
percent of confirmed moves: 5.210081
current total energy: -155.333722
recalc. total energy: -155.333722
replica 10 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 15696757
moves confirmed later: 18130613
all moves confirmed: 33827370
percent of confirmed moves: 4.228421
current total energy: -94.625107
recalc. total energy: -94.625107
replica 1 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 19135054
moves confirmed later: 22723297
all moves confirmed: 41858351
percent of confirmed moves: 5.232294
current total energy: -40.121832
recalc. total energy: -40.121832
replica 7 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 25099674
moves confirmed later: 30711459
all moves confirmed: 55811133
percent of confirmed moves: 6.976392
current total energy: -46.386761
recalc. total energy: -46.386761
replica 9 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 22226499
moves confirmed later: 26881176
all moves confirmed: 49107675
percent of confirmed moves: 6.138459
current total energy: -5.305742
recalc. total energy: -5.305742
out arg RESULTS//1/YFV-11e66d90_01
Time of doing 8000000 iterations: 2742.249 seconds