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/CUCCA-43a3c828/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/CUCCA-43a3c828/inputs/seq.fa: 1
curr_seq: _CUCCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUCCA
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 5 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: 30
n_atoms_counter: 30
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 5.000000 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/CUCCA-43a3c828/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/CUCCA-43a3c828/inputs/seq.fa: 1
curr_seq: _CUCCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUCCA
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 5 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: 30
n_atoms_counter: 30
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 5.000000 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/CUCCA-43a3c828/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/CUCCA-43a3c828/inputs/seq.fa: 1
curr_seq: _CUCCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUCCA
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 5 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: 30
n_atoms_counter: 30
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 5.000000 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/CUCCA-43a3c828/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/CUCCA-43a3c828/inputs/seq.fa: 1
curr_seq: _CUCCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUCCA
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 5 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: 30
n_atoms_counter: 30
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 5.000000 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/CUCCA-43a3c828/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/CUCCA-43a3c828/inputs/seq.fa: 1
curr_seq: _CUCCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUCCA
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 5 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: 30
n_atoms_counter: 30
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 5.000000 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/CUCCA-43a3c828/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/CUCCA-43a3c828/inputs/seq.fa: 1
curr_seq: _CUCCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUCCA
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 5 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: 30
n_atoms_counter: 30
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 5.000000 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/CUCCA-43a3c828/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/CUCCA-43a3c828/inputs/seq.fa: 1
curr_seq: _CUCCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUCCA
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 5 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: 30
n_atoms_counter: 30
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 5.000000 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/CUCCA-43a3c828/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/CUCCA-43a3c828/inputs/seq.fa: 1
curr_seq: _CUCCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUCCA
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 5 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: 30
n_atoms_counter: 30
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 5.000000 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/CUCCA-43a3c828/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/CUCCA-43a3c828/inputs/seq.fa: 1
curr_seq: _CUCCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUCCA
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 5 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: 30
n_atoms_counter: 30
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 5.000000 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/CUCCA-43a3c828/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/CUCCA-43a3c828/inputs/seq.fa: 1
curr_seq: _CUCCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUCCA
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 5 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: 30
n_atoms_counter: 30
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 5.000000 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: -15.313472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.313472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.313472 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.003
local terms energy: -15.310917
where:
bonds (distance) C4'-P energy: -4.858
bonds (distance) P-C4' energy: -5.368
flat angles C4'-P-C4' energy: -2.696
flat angles P-C4'-P energy: -4.013
tors. eta vs tors. theta energy: 1.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -15.313472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.313472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.313472 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.003
local terms energy: -15.310917
where:
bonds (distance) C4'-P energy: -4.858
bonds (distance) P-C4' energy: -5.368
flat angles C4'-P-C4' energy: -2.696
flat angles P-C4'-P energy: -4.013
tors. eta vs tors. theta energy: 1.624
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: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -15.313472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.313472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.313472 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.003
local terms energy: -15.310917
where:
bonds (distance) C4'-P energy: -4.858
bonds (distance) P-C4' energy: -5.368
flat angles C4'-P-C4' energy: -2.696
flat angles P-C4'-P energy: -4.013
tors. eta vs tors. theta energy: 1.624
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: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -15.313472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.313472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.313472 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.003
local terms energy: -15.310917
where:
bonds (distance) C4'-P energy: -4.858
bonds (distance) P-C4' energy: -5.368
flat angles C4'-P-C4' energy: -2.696
flat angles P-C4'-P energy: -4.013
tors. eta vs tors. theta energy: 1.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -15.313472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.313472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.313472 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.003
local terms energy: -15.310917
where:
bonds (distance) C4'-P energy: -4.858
bonds (distance) P-C4' energy: -5.368
flat angles C4'-P-C4' energy: -2.696
flat angles P-C4'-P energy: -4.013
tors. eta vs tors. theta energy: 1.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -15.313472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.313472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.313472 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.003
local terms energy: -15.310917
where:
bonds (distance) C4'-P energy: -4.858
bonds (distance) P-C4' energy: -5.368
flat angles C4'-P-C4' energy: -2.696
flat angles P-C4'-P energy: -4.013
tors. eta vs tors. theta energy: 1.624
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: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -15.313472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.313472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.313472 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.003
local terms energy: -15.310917
where:
bonds (distance) C4'-P energy: -4.858
bonds (distance) P-C4' energy: -5.368
flat angles C4'-P-C4' energy: -2.696
flat angles P-C4'-P energy: -4.013
tors. eta vs tors. theta energy: 1.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -15.313472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.313472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.313472 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.003
local terms energy: -15.310917
where:
bonds (distance) C4'-P energy: -4.858
bonds (distance) P-C4' energy: -5.368
flat angles C4'-P-C4' energy: -2.696
flat angles P-C4'-P energy: -4.013
tors. eta vs tors. theta energy: 1.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -15.313472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.313472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.313472 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.003
local terms energy: -15.310917
where:
bonds (distance) C4'-P energy: -4.858
bonds (distance) P-C4' energy: -5.368
flat angles C4'-P-C4' energy: -2.696
flat angles P-C4'-P energy: -4.013
tors. eta vs tors. theta energy: 1.624
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: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -15.313472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.313472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.313472 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.003
local terms energy: -15.310917
where:
bonds (distance) C4'-P energy: -4.858
bonds (distance) P-C4' energy: -5.368
flat angles C4'-P-C4' energy: -2.696
flat angles P-C4'-P energy: -4.013
tors. eta vs tors. theta energy: 1.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -38.929248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.929248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.929248 (E_RNA)
where:
Base-Base interactions energy: -17.404
where: short stacking energy: -17.404
Base-Backbone interact. energy: -0.000
local terms energy: -21.525536
where:
bonds (distance) C4'-P energy: -3.773
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.325
flat angles P-C4'-P energy: -3.785
tors. eta vs tors. theta energy: -4.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -37.381055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.381055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.381055 (E_RNA)
where:
Base-Base interactions energy: -16.456
where: short stacking energy: -16.456
Base-Backbone interact. energy: -0.000
local terms energy: -20.924626
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -4.279
flat angles P-C4'-P energy: -2.889
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: 2
Temperature: 1.000000
Total energy: -26.677495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.677495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.677495 (E_RNA)
where:
Base-Base interactions energy: -8.107
where: short stacking energy: -8.107
Base-Backbone interact. energy: -0.032
local terms energy: -18.539325
where:
bonds (distance) C4'-P energy: -2.565
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.182
flat angles P-C4'-P energy: -3.892
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: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -29.062002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.062002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.062002 (E_RNA)
where:
Base-Base interactions energy: -10.843
where: short stacking energy: -10.843
Base-Backbone interact. energy: -0.000
local terms energy: -18.219385
where:
bonds (distance) C4'-P energy: -3.691
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -4.401
flat angles P-C4'-P energy: -0.882
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: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -36.463588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.463588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.463588 (E_RNA)
where:
Base-Base interactions energy: -14.119
where: short stacking energy: -14.119
Base-Backbone interact. energy: -0.000
local terms energy: -22.344678
where:
bonds (distance) C4'-P energy: -3.781
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.241
flat angles P-C4'-P energy: -3.751
tors. eta vs tors. theta energy: -5.451
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: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -26.144556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.144556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.144556 (E_RNA)
where:
Base-Base interactions energy: -8.168
where: short stacking energy: -8.168
Base-Backbone interact. energy: -0.000
local terms energy: -17.975751
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -5.365
flat angles C4'-P-C4' energy: -3.988
flat angles P-C4'-P energy: -2.323
tors. eta vs tors. theta energy: -1.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -27.961772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.961772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.961772 (E_RNA)
where:
Base-Base interactions energy: -11.409
where: short stacking energy: -11.409
Base-Backbone interact. energy: -0.001
local terms energy: -16.551097
where:
bonds (distance) C4'-P energy: -2.743
bonds (distance) P-C4' energy: -2.898
flat angles C4'-P-C4' energy: -4.717
flat angles P-C4'-P energy: -3.747
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: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -28.769203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.769203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.769203 (E_RNA)
where:
Base-Base interactions energy: -13.463
where: short stacking energy: -13.463
Base-Backbone interact. energy: -0.000
local terms energy: -15.306586
where:
bonds (distance) C4'-P energy: -3.152
bonds (distance) P-C4' energy: -3.944
flat angles C4'-P-C4' energy: -2.300
flat angles P-C4'-P energy: -1.784
tors. eta vs tors. theta energy: -4.127
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: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -28.503458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.503458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.503458 (E_RNA)
where:
Base-Base interactions energy: -11.522
where: short stacking energy: -11.522
Base-Backbone interact. energy: -0.000
local terms energy: -16.981650
where:
bonds (distance) C4'-P energy: -4.171
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -3.568
flat angles P-C4'-P energy: -2.121
tors. eta vs tors. theta energy: -2.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -24.642417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.642417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.642417 (E_RNA)
where:
Base-Base interactions energy: -11.485
where: short stacking energy: -11.485
Base-Backbone interact. energy: -0.023
local terms energy: -13.134935
where:
bonds (distance) C4'-P energy: -3.186
bonds (distance) P-C4' energy: -4.174
flat angles C4'-P-C4' energy: -3.047
flat angles P-C4'-P energy: -0.638
tors. eta vs tors. theta energy: -2.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -34.433512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.433512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.433512 (E_RNA)
where:
Base-Base interactions energy: -12.263
where: short stacking energy: -12.263
Base-Backbone interact. energy: -0.000
local terms energy: -22.170527
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.470
flat angles P-C4'-P energy: -3.155
tors. eta vs tors. theta energy: -5.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -35.380391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.380391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.380391 (E_RNA)
where:
Base-Base interactions energy: -18.168
where: short stacking energy: -8.925
Base-Backbone interact. energy: -0.004
local terms energy: -17.208212
where:
bonds (distance) C4'-P energy: -3.923
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -3.370
flat angles P-C4'-P energy: -3.019
tors. eta vs tors. theta energy: -1.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -34.442291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.442291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.442291 (E_RNA)
where:
Base-Base interactions energy: -15.444
where: short stacking energy: -15.444
Base-Backbone interact. energy: -0.000
local terms energy: -18.997802
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.674
flat angles C4'-P-C4' energy: -2.831
flat angles P-C4'-P energy: -2.533
tors. eta vs tors. theta energy: -4.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -37.869778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.869778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.869778 (E_RNA)
where:
Base-Base interactions energy: -17.325
where: short stacking energy: -17.325
Base-Backbone interact. energy: -0.000
local terms energy: -20.544890
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -4.799
flat angles P-C4'-P energy: -2.826
tors. eta vs tors. theta energy: -3.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -31.015121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.015121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.015121 (E_RNA)
where:
Base-Base interactions energy: -13.240
where: short stacking energy: -13.240
Base-Backbone interact. energy: -0.000
local terms energy: -17.775555
where:
bonds (distance) C4'-P energy: -3.541
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -4.695
flat angles P-C4'-P energy: -2.886
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: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -29.293451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.293451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.293451 (E_RNA)
where:
Base-Base interactions energy: -15.811
where: short stacking energy: -7.554
Base-Backbone interact. energy: -0.018
local terms energy: -13.464334
where:
bonds (distance) C4'-P energy: -3.020
bonds (distance) P-C4' energy: -4.867
flat angles C4'-P-C4' energy: -4.207
flat angles P-C4'-P energy: -1.176
tors. eta vs tors. theta energy: -0.194
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: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -29.347438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.347438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.347438 (E_RNA)
where:
Base-Base interactions energy: -9.403
where: short stacking energy: -9.403
Base-Backbone interact. energy: -0.000
local terms energy: -19.944575
where:
bonds (distance) C4'-P energy: -3.309
bonds (distance) P-C4' energy: -3.103
flat angles C4'-P-C4' energy: -4.573
flat angles P-C4'-P energy: -4.006
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: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -26.812437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.812437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.812437 (E_RNA)
where:
Base-Base interactions energy: -11.935
where: short stacking energy: -11.935
Base-Backbone interact. energy: -0.000
local terms energy: -14.877664
where:
bonds (distance) C4'-P energy: -3.451
bonds (distance) P-C4' energy: -4.579
flat angles C4'-P-C4' energy: -4.025
flat angles P-C4'-P energy: 0.260
tors. eta vs tors. theta energy: -3.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -27.681261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.681261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.681261 (E_RNA)
where:
Base-Base interactions energy: -9.090
where: short stacking energy: -9.090
Base-Backbone interact. energy: -0.000
local terms energy: -18.591160
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.997
flat angles P-C4'-P energy: -2.894
tors. eta vs tors. theta energy: -2.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -21.862373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.862373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.862373 (E_RNA)
where:
Base-Base interactions energy: -7.374
where: short stacking energy: -3.749
Base-Backbone interact. energy: -0.042
local terms energy: -14.446174
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -3.565
flat angles P-C4'-P energy: -3.240
tors. eta vs tors. theta energy: 1.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -36.668596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.668596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.668596 (E_RNA)
where:
Base-Base interactions energy: -20.103
where: short stacking energy: -11.576
Base-Backbone interact. energy: -0.000
local terms energy: -16.565520
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -4.406
flat angles C4'-P-C4' energy: -3.794
flat angles P-C4'-P energy: -2.234
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: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -30.014179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.014179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.014179 (E_RNA)
where:
Base-Base interactions energy: -11.701
where: short stacking energy: -11.701
Base-Backbone interact. energy: -0.000
local terms energy: -18.313060
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.343
flat angles C4'-P-C4' energy: -3.894
flat angles P-C4'-P energy: -3.854
tors. eta vs tors. theta energy: -1.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -38.489860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.489860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.489860 (E_RNA)
where:
Base-Base interactions energy: -17.313
where: short stacking energy: -17.313
Base-Backbone interact. energy: -0.000
local terms energy: -21.176739
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.082
flat angles C4'-P-C4' energy: -4.835
flat angles P-C4'-P energy: -2.980
tors. eta vs tors. theta energy: -4.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -38.348369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.348369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.348369 (E_RNA)
where:
Base-Base interactions energy: -16.638
where: short stacking energy: -16.638
Base-Backbone interact. energy: -0.000
local terms energy: -21.710114
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.174
flat angles C4'-P-C4' energy: -4.181
flat angles P-C4'-P energy: -3.995
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: 5, replica: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -32.242417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.242417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.242417 (E_RNA)
where:
Base-Base interactions energy: -13.012
where: short stacking energy: -13.012
Base-Backbone interact. energy: -0.000
local terms energy: -19.230318
where:
bonds (distance) C4'-P energy: -3.533
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -4.432
flat angles P-C4'-P energy: -3.426
tors. eta vs tors. theta energy: -2.976
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: 6, replica: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -26.748403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.748403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.748403 (E_RNA)
where:
Base-Base interactions energy: -11.103
where: short stacking energy: -11.103
Base-Backbone interact. energy: -0.000
local terms energy: -15.644810
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -2.684
flat angles C4'-P-C4' energy: -4.375
flat angles P-C4'-P energy: -1.783
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: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -25.346945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.346945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.346945 (E_RNA)
where:
Base-Base interactions energy: -8.941
where: short stacking energy: -8.941
Base-Backbone interact. energy: -0.015
local terms energy: -16.391162
where:
bonds (distance) C4'-P energy: -3.306
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.487
flat angles P-C4'-P energy: -2.802
tors. eta vs tors. theta energy: -0.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -23.550688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.550688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.550688 (E_RNA)
where:
Base-Base interactions energy: -5.975
where: short stacking energy: -5.975
Base-Backbone interact. energy: -0.000
local terms energy: -17.575485
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -3.639
flat angles P-C4'-P energy: -2.905
tors. eta vs tors. theta energy: -2.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -25.705297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.705297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.705297 (E_RNA)
where:
Base-Base interactions energy: -10.433
where: short stacking energy: -10.433
Base-Backbone interact. energy: -0.000
local terms energy: -15.272364
where:
bonds (distance) C4'-P energy: -3.352
bonds (distance) P-C4' energy: -3.297
flat angles C4'-P-C4' energy: -3.258
flat angles P-C4'-P energy: -0.899
tors. eta vs tors. theta energy: -4.466
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: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -24.022841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.022841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.022841 (E_RNA)
where:
Base-Base interactions energy: -7.498
where: short stacking energy: -7.498
Base-Backbone interact. energy: -0.000
local terms energy: -16.524847
where:
bonds (distance) C4'-P energy: -3.053
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -4.506
flat angles P-C4'-P energy: -2.651
tors. eta vs tors. theta energy: -1.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -34.984093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.984093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.984093 (E_RNA)
where:
Base-Base interactions energy: -15.179
where: short stacking energy: -15.179
Base-Backbone interact. energy: -0.000
local terms energy: -19.804735
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -3.743
flat angles P-C4'-P energy: -3.149
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: 2, replica: 2
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -30.017800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.017800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.017800 (E_RNA)
where:
Base-Base interactions energy: -12.676
where: short stacking energy: -12.676
Base-Backbone interact. energy: -0.000
local terms energy: -17.341635
where:
bonds (distance) C4'-P energy: -3.268
bonds (distance) P-C4' energy: -4.202
flat angles C4'-P-C4' energy: -4.259
flat angles P-C4'-P energy: -3.326
tors. eta vs tors. theta energy: -2.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -32.795930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.795930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.795930 (E_RNA)
where:
Base-Base interactions energy: -15.406
where: short stacking energy: -8.145
Base-Backbone interact. energy: -0.002
local terms energy: -17.388035
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -3.974
flat angles P-C4'-P energy: -3.355
tors. eta vs tors. theta energy: -0.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -29.906339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.906339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.906339 (E_RNA)
where:
Base-Base interactions energy: -12.930
where: short stacking energy: -12.930
Base-Backbone interact. energy: -0.011
local terms energy: -16.965695
where:
bonds (distance) C4'-P energy: -3.558
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.167
flat angles P-C4'-P energy: -2.759
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: 5
Temperature: 1.100000
Total energy: -29.373046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.373046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.373046 (E_RNA)
where:
Base-Base interactions energy: -12.849
where: short stacking energy: -12.849
Base-Backbone interact. energy: -0.000
local terms energy: -16.523795
where:
bonds (distance) C4'-P energy: -2.565
bonds (distance) P-C4' energy: -3.638
flat angles C4'-P-C4' energy: -3.731
flat angles P-C4'-P energy: -3.680
tors. eta vs tors. theta energy: -2.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -33.918011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.918011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.918011 (E_RNA)
where:
Base-Base interactions energy: -15.786
where: short stacking energy: -15.786
Base-Backbone interact. energy: -0.000
local terms energy: -18.131848
where:
bonds (distance) C4'-P energy: -2.146
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -3.586
flat angles P-C4'-P energy: -2.824
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: 7, replica: 4
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -25.807937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.807937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.807937 (E_RNA)
where:
Base-Base interactions energy: -8.874
where: short stacking energy: -8.874
Base-Backbone interact. energy: -0.021
local terms energy: -16.912686
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -4.395
flat angles C4'-P-C4' energy: -3.653
flat angles P-C4'-P energy: -2.838
tors. eta vs tors. theta energy: -2.042
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: 8
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -30.237198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.237198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.237198 (E_RNA)
where:
Base-Base interactions energy: -11.876
where: short stacking energy: -11.876
Base-Backbone interact. energy: -0.000
local terms energy: -18.361299
where:
bonds (distance) C4'-P energy: -4.154
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -3.548
flat angles P-C4'-P energy: -3.740
tors. eta vs tors. theta energy: -2.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -25.260534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.260534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.260534 (E_RNA)
where:
Base-Base interactions energy: -7.730
where: short stacking energy: -7.730
Base-Backbone interact. energy: -0.000
local terms energy: -17.530122
where:
bonds (distance) C4'-P energy: -3.008
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -2.831
flat angles P-C4'-P energy: -3.633
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: 10, replica: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -24.831963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.831963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.831963 (E_RNA)
where:
Base-Base interactions energy: -10.649
where: short stacking energy: -10.649
Base-Backbone interact. energy: -0.040
local terms energy: -14.143047
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -4.406
flat angles C4'-P-C4' energy: -4.013
flat angles P-C4'-P energy: -2.074
tors. eta vs tors. theta energy: 0.575
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: 1, replica: 3
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -33.811383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.811383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.811383 (E_RNA)
where:
Base-Base interactions energy: -12.679
where: short stacking energy: -12.679
Base-Backbone interact. energy: -0.000
local terms energy: -21.131901
where:
bonds (distance) C4'-P energy: -4.154
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.118
flat angles P-C4'-P energy: -3.153
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: 2, replica: 2
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -31.621161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.621161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.621161 (E_RNA)
where:
Base-Base interactions energy: -13.260
where: short stacking energy: -13.260
Base-Backbone interact. energy: -0.000
local terms energy: -18.361372
where:
bonds (distance) C4'-P energy: -3.781
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.214
flat angles P-C4'-P energy: -2.503
tors. eta vs tors. theta energy: -3.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -29.982669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.982669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.982669 (E_RNA)
where:
Base-Base interactions energy: -11.839
where: short stacking energy: -11.839
Base-Backbone interact. energy: -0.000
local terms energy: -18.144048
where:
bonds (distance) C4'-P energy: -4.009
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.552
flat angles P-C4'-P energy: -3.089
tors. eta vs tors. theta energy: -2.379
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: 7
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -38.311996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.311996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.311996 (E_RNA)
where:
Base-Base interactions energy: -16.466
where: short stacking energy: -16.466
Base-Backbone interact. energy: -0.000
local terms energy: -21.846078
where:
bonds (distance) C4'-P energy: -3.781
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -3.767
flat angles P-C4'-P energy: -3.957
tors. eta vs tors. theta energy: -5.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -27.094664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.094664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.094664 (E_RNA)
where:
Base-Base interactions energy: -9.059
where: short stacking energy: -9.059
Base-Backbone interact. energy: -0.000
local terms energy: -18.035703
where:
bonds (distance) C4'-P energy: -2.796
bonds (distance) P-C4' energy: -4.051
flat angles C4'-P-C4' energy: -4.289
flat angles P-C4'-P energy: -3.270
tors. eta vs tors. theta energy: -3.629
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: 5
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -29.102633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.102633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.102633 (E_RNA)
where:
Base-Base interactions energy: -10.043
where: short stacking energy: -10.043
Base-Backbone interact. energy: -0.000
local terms energy: -19.060047
where:
bonds (distance) C4'-P energy: -3.363
bonds (distance) P-C4' energy: -4.572
flat angles C4'-P-C4' energy: -2.990
flat angles P-C4'-P energy: -3.254
tors. eta vs tors. theta energy: -4.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -25.154137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.154137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.154137 (E_RNA)
where:
Base-Base interactions energy: -9.235
where: short stacking energy: -7.769
Base-Backbone interact. energy: -0.000
local terms energy: -15.919486
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -1.138
flat angles P-C4'-P energy: -2.217
tors. eta vs tors. theta energy: -3.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -28.876236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.876236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.876236 (E_RNA)
where:
Base-Base interactions energy: -11.319
where: short stacking energy: -11.319
Base-Backbone interact. energy: -0.000
local terms energy: -17.556672
where:
bonds (distance) C4'-P energy: -4.419
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -4.026
flat angles P-C4'-P energy: -0.241
tors. eta vs tors. theta energy: -4.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -25.810521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.810521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.810521 (E_RNA)
where:
Base-Base interactions energy: -7.408
where: short stacking energy: -7.408
Base-Backbone interact. energy: -0.000
local terms energy: -18.402758
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -4.569
flat angles C4'-P-C4' energy: -3.342
flat angles P-C4'-P energy: -3.537
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: 10
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -24.750543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.750543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.750543 (E_RNA)
where:
Base-Base interactions energy: -8.451
where: short stacking energy: -8.451
Base-Backbone interact. energy: -0.052
local terms energy: -16.248155
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.946
flat angles P-C4'-P energy: -1.672
tors. eta vs tors. theta energy: -1.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -36.161340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.161340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.161340 (E_RNA)
where:
Base-Base interactions energy: -16.380
where: short stacking energy: -16.380
Base-Backbone interact. energy: -0.000
local terms energy: -19.780931
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.131
flat angles P-C4'-P energy: -2.841
tors. eta vs tors. theta energy: -3.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -36.008435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.008435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.008435 (E_RNA)
where:
Base-Base interactions energy: -16.914
where: short stacking energy: -16.914
Base-Backbone interact. energy: -0.000
local terms energy: -19.094255
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -3.894
flat angles P-C4'-P energy: -1.581
tors. eta vs tors. theta energy: -4.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -31.824424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.824424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.824424 (E_RNA)
where:
Base-Base interactions energy: -12.469
where: short stacking energy: -12.469
Base-Backbone interact. energy: -0.000
local terms energy: -19.355837
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -4.624
flat angles C4'-P-C4' energy: -4.080
flat angles P-C4'-P energy: -2.971
tors. eta vs tors. theta energy: -3.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -35.747944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.747944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.747944 (E_RNA)
where:
Base-Base interactions energy: -15.376
where: short stacking energy: -15.376
Base-Backbone interact. energy: -0.000
local terms energy: -20.371498
where:
bonds (distance) C4'-P energy: -2.531
bonds (distance) P-C4' energy: -5.104
flat angles C4'-P-C4' energy: -4.500
flat angles P-C4'-P energy: -3.770
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: 5, replica: 7
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -28.528949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.528949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.528949 (E_RNA)
where:
Base-Base interactions energy: -12.467
where: short stacking energy: -12.467
Base-Backbone interact. energy: -0.000
local terms energy: -16.061858
where:
bonds (distance) C4'-P energy: -2.829
bonds (distance) P-C4' energy: -3.106
flat angles C4'-P-C4' energy: -3.713
flat angles P-C4'-P energy: -2.686
tors. eta vs tors. theta energy: -3.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -30.531874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.531874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.531874 (E_RNA)
where:
Base-Base interactions energy: -13.086
where: short stacking energy: -13.086
Base-Backbone interact. energy: -0.000
local terms energy: -17.446180
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -3.708
flat angles C4'-P-C4' energy: -3.388
flat angles P-C4'-P energy: -3.171
tors. eta vs tors. theta energy: -2.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -28.215726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.215726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.215726 (E_RNA)
where:
Base-Base interactions energy: -12.175
where: short stacking energy: -12.175
Base-Backbone interact. energy: -0.000
local terms energy: -16.040776
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.047
flat angles C4'-P-C4' energy: -2.661
flat angles P-C4'-P energy: -2.329
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: 8, replica: 6
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -25.890001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.890001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.890001 (E_RNA)
where:
Base-Base interactions energy: -12.642
where: short stacking energy: -12.642
Base-Backbone interact. energy: -0.004
local terms energy: -13.243804
where:
bonds (distance) C4'-P energy: -3.256
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: 0.087
flat angles P-C4'-P energy: -1.468
tors. eta vs tors. theta energy: -4.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -24.571012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.571012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.571012 (E_RNA)
where:
Base-Base interactions energy: -6.982
where: short stacking energy: -6.982
Base-Backbone interact. energy: -0.065
local terms energy: -17.523667
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.210
flat angles P-C4'-P energy: -3.058
tors. eta vs tors. theta energy: -1.615
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: 10, replica: 10
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -25.312596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.312596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.312596 (E_RNA)
where:
Base-Base interactions energy: -9.540
where: short stacking energy: -9.540
Base-Backbone interact. energy: -0.000
local terms energy: -15.772540
where:
bonds (distance) C4'-P energy: -2.743
bonds (distance) P-C4' energy: -4.134
flat angles C4'-P-C4' energy: -3.275
flat angles P-C4'-P energy: -2.683
tors. eta vs tors. theta energy: -2.939
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: 2
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -38.349309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.349309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.349309 (E_RNA)
where:
Base-Base interactions energy: -17.278
where: short stacking energy: -17.278
Base-Backbone interact. energy: -0.000
local terms energy: -21.071720
where:
bonds (distance) C4'-P energy: -3.789
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.388
flat angles P-C4'-P energy: -2.698
tors. eta vs tors. theta energy: -5.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -35.607050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.607050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.607050 (E_RNA)
where:
Base-Base interactions energy: -17.523
where: short stacking energy: -17.523
Base-Backbone interact. energy: -0.000
local terms energy: -18.084475
where:
bonds (distance) C4'-P energy: -3.815
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -4.265
flat angles P-C4'-P energy: -1.443
tors. eta vs tors. theta energy: -3.472
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: 9
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -30.142880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.142880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.142880 (E_RNA)
where:
Base-Base interactions energy: -18.160
where: short stacking energy: -11.993
Base-Backbone interact. energy: -0.003
local terms energy: -11.980033
where:
bonds (distance) C4'-P energy: -3.335
bonds (distance) P-C4' energy: -3.529
flat angles C4'-P-C4' energy: -3.796
flat angles P-C4'-P energy: -2.061
tors. eta vs tors. theta energy: 0.740
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: 4, replica: 1
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -31.184922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.184922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.184922 (E_RNA)
where:
Base-Base interactions energy: -13.450
where: short stacking energy: -13.450
Base-Backbone interact. energy: -0.000
local terms energy: -17.734907
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -2.898
flat angles C4'-P-C4' energy: -4.099
flat angles P-C4'-P energy: -1.697
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: 5, replica: 8
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -28.024812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.024812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.024812 (E_RNA)
where:
Base-Base interactions energy: -9.277
where: short stacking energy: -9.277
Base-Backbone interact. energy: -0.000
local terms energy: -18.747887
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.889
flat angles P-C4'-P energy: -2.466
tors. eta vs tors. theta energy: -2.757
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: 7
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -31.067871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.067871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.067871 (E_RNA)
where:
Base-Base interactions energy: -13.994
where: short stacking energy: -13.994
Base-Backbone interact. energy: -0.000
local terms energy: -17.074233
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -4.203
flat angles P-C4'-P energy: -1.061
tors. eta vs tors. theta energy: -3.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -28.842651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.842651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.842651 (E_RNA)
where:
Base-Base interactions energy: -12.453
where: short stacking energy: -6.988
Base-Backbone interact. energy: 0.148
local terms energy: -16.537283
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -2.340
flat angles P-C4'-P energy: -2.669
tors. eta vs tors. theta energy: -2.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -24.171016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.171016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.171016 (E_RNA)
where:
Base-Base interactions energy: -8.116
where: short stacking energy: -8.116
Base-Backbone interact. energy: -0.003
local terms energy: -16.052618
where:
bonds (distance) C4'-P energy: -3.645
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -2.741
flat angles P-C4'-P energy: -3.000
tors. eta vs tors. theta energy: -1.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -26.498210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.498210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.498210 (E_RNA)
where:
Base-Base interactions energy: -8.834
where: short stacking energy: -8.834
Base-Backbone interact. energy: -0.000
local terms energy: -17.664121
where:
bonds (distance) C4'-P energy: -3.194
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.345
flat angles P-C4'-P energy: -3.663
tors. eta vs tors. theta energy: -1.341
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: 4
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -23.951413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.951413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.951413 (E_RNA)
where:
Base-Base interactions energy: -8.416
where: short stacking energy: -8.416
Base-Backbone interact. energy: -0.000
local terms energy: -15.535092
where:
bonds (distance) C4'-P energy: -4.163
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -2.671
flat angles P-C4'-P energy: -3.211
tors. eta vs tors. theta energy: -0.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -40.208114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.208114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.208114 (E_RNA)
where:
Base-Base interactions energy: -20.511
where: short stacking energy: -12.299
Base-Backbone interact. energy: -0.000
local terms energy: -19.697445
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.835
flat angles P-C4'-P energy: -3.073
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: 2, replica: 9
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -33.822001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.822001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.822001 (E_RNA)
where:
Base-Base interactions energy: -12.653
where: short stacking energy: -12.653
Base-Backbone interact. energy: -0.000
local terms energy: -21.169089
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.514
flat angles P-C4'-P energy: -3.778
tors. eta vs tors. theta energy: -4.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -37.679205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.679205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.679205 (E_RNA)
where:
Base-Base interactions energy: -17.893
where: short stacking energy: -17.893
Base-Backbone interact. energy: -0.000
local terms energy: -19.786132
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -3.941
flat angles C4'-P-C4' energy: -3.835
flat angles P-C4'-P energy: -2.262
tors. eta vs tors. theta energy: -5.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -34.293221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.293221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.293221 (E_RNA)
where:
Base-Base interactions energy: -14.611
where: short stacking energy: -14.611
Base-Backbone interact. energy: -0.000
local terms energy: -19.682319
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -3.401
flat angles C4'-P-C4' energy: -3.796
flat angles P-C4'-P energy: -2.561
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: 5, replica: 1
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -30.489909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.489909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.489909 (E_RNA)
where:
Base-Base interactions energy: -14.079
where: short stacking energy: -14.079
Base-Backbone interact. energy: -0.000
local terms energy: -16.410530
where:
bonds (distance) C4'-P energy: -3.185
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -2.617
flat angles P-C4'-P energy: -3.759
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: 6, replica: 6
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -29.022155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.022155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.022155 (E_RNA)
where:
Base-Base interactions energy: -10.183
where: short stacking energy: -10.183
Base-Backbone interact. energy: -0.000
local terms energy: -18.838978
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.820
flat angles P-C4'-P energy: -3.181
tors. eta vs tors. theta energy: -1.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -33.812475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.812475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.812475 (E_RNA)
where:
Base-Base interactions energy: -13.291
where: short stacking energy: -13.291
Base-Backbone interact. energy: -0.000
local terms energy: -20.521874
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -2.906
flat angles P-C4'-P energy: -3.624
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: 8, replica: 10
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -26.932491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.932491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.932491 (E_RNA)
where:
Base-Base interactions energy: -12.372
where: short stacking energy: -12.372
Base-Backbone interact. energy: -0.021
local terms energy: -14.539509
where:
bonds (distance) C4'-P energy: -2.954
bonds (distance) P-C4' energy: -4.606
flat angles C4'-P-C4' energy: -2.921
flat angles P-C4'-P energy: -3.035
tors. eta vs tors. theta energy: -1.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -27.641266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.641266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.641266 (E_RNA)
where:
Base-Base interactions energy: -11.514
where: short stacking energy: -11.514
Base-Backbone interact. energy: -0.000
local terms energy: -16.127452
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -2.624
flat angles P-C4'-P energy: -1.898
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: 4
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -26.825819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.825819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.825819 (E_RNA)
where:
Base-Base interactions energy: -12.537
where: short stacking energy: -7.641
Base-Backbone interact. energy: -0.001
local terms energy: -14.287801
where:
bonds (distance) C4'-P energy: -2.262
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -3.195
flat angles P-C4'-P energy: -2.682
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: 1, replica: 9
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -38.722994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.722994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.722994 (E_RNA)
where:
Base-Base interactions energy: -17.512
where: short stacking energy: -17.512
Base-Backbone interact. energy: -0.000
local terms energy: -21.211174
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.500
flat angles P-C4'-P energy: -2.350
tors. eta vs tors. theta energy: -5.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -32.707696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.707696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.707696 (E_RNA)
where:
Base-Base interactions energy: -12.883
where: short stacking energy: -12.883
Base-Backbone interact. energy: -0.000
local terms energy: -19.824424
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -4.401
flat angles P-C4'-P energy: -2.916
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: 3, replica: 8
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -36.184575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.184575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.184575 (E_RNA)
where:
Base-Base interactions energy: -16.203
where: short stacking energy: -16.203
Base-Backbone interact. energy: -0.000
local terms energy: -19.982000
where:
bonds (distance) C4'-P energy: -4.643
bonds (distance) P-C4' energy: -4.628
flat angles C4'-P-C4' energy: -3.537
flat angles P-C4'-P energy: -3.748
tors. eta vs tors. theta energy: -3.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -35.512878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.512878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.512878 (E_RNA)
where:
Base-Base interactions energy: -16.225
where: short stacking energy: -16.225
Base-Backbone interact. energy: -0.000
local terms energy: -19.288220
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -3.469
flat angles C4'-P-C4' energy: -3.468
flat angles P-C4'-P energy: -3.326
tors. eta vs tors. theta energy: -4.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -33.852797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.852797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.852797 (E_RNA)
where:
Base-Base interactions energy: -15.085
where: short stacking energy: -15.085
Base-Backbone interact. energy: -0.000
local terms energy: -18.767815
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -3.588
flat angles C4'-P-C4' energy: -4.687
flat angles P-C4'-P energy: -3.318
tors. eta vs tors. theta energy: -2.780
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: 6
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -24.378697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.378697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.378697 (E_RNA)
where:
Base-Base interactions energy: -9.145
where: short stacking energy: -9.145
Base-Backbone interact. energy: -0.000
local terms energy: -15.233493
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.387
flat angles P-C4'-P energy: -1.124
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: 7, replica: 7
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -35.333693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.333693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.333693 (E_RNA)
where:
Base-Base interactions energy: -15.712
where: short stacking energy: -15.712
Base-Backbone interact. energy: -0.000
local terms energy: -19.621349
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -2.389
flat angles P-C4'-P energy: -3.362
tors. eta vs tors. theta energy: -4.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -30.671838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.671838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.671838 (E_RNA)
where:
Base-Base interactions energy: -13.461
where: short stacking energy: -13.461
Base-Backbone interact. energy: -0.000
local terms energy: -17.210899
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -3.103
flat angles C4'-P-C4' energy: -4.678
flat angles P-C4'-P energy: -1.556
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: 9, replica: 5
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -23.862540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.862540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.862540 (E_RNA)
where:
Base-Base interactions energy: -9.275
where: short stacking energy: -9.275
Base-Backbone interact. energy: -0.000
local terms energy: -14.586770
where:
bonds (distance) C4'-P energy: -3.558
bonds (distance) P-C4' energy: -4.867
flat angles C4'-P-C4' energy: -2.983
flat angles P-C4'-P energy: -0.503
tors. eta vs tors. theta energy: -2.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -24.353054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.353054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.353054 (E_RNA)
where:
Base-Base interactions energy: -8.688
where: short stacking energy: -8.688
Base-Backbone interact. energy: -0.005
local terms energy: -15.659231
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -4.209
flat angles C4'-P-C4' energy: -2.474
flat angles P-C4'-P energy: -3.530
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: 9
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -30.716834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.716834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.716834 (E_RNA)
where:
Base-Base interactions energy: -12.606
where: short stacking energy: -12.606
Base-Backbone interact. energy: -0.000
local terms energy: -18.110994
where:
bonds (distance) C4'-P energy: -4.171
bonds (distance) P-C4' energy: -2.842
flat angles C4'-P-C4' energy: -4.111
flat angles P-C4'-P energy: -2.648
tors. eta vs tors. theta energy: -4.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -36.573521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.573521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.573521 (E_RNA)
where:
Base-Base interactions energy: -14.797
where: short stacking energy: -14.797
Base-Backbone interact. energy: -0.000
local terms energy: -21.776600
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.832
flat angles P-C4'-P energy: -3.375
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: 3, replica: 2
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -36.327927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.327927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.327927 (E_RNA)
where:
Base-Base interactions energy: -17.321
where: short stacking energy: -17.321
Base-Backbone interact. energy: -0.000
local terms energy: -19.006517
where:
bonds (distance) C4'-P energy: -2.597
bonds (distance) P-C4' energy: -3.941
flat angles C4'-P-C4' energy: -4.485
flat angles P-C4'-P energy: -3.453
tors. eta vs tors. theta energy: -4.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -29.133137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.133137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.133137 (E_RNA)
where:
Base-Base interactions energy: -16.453
where: short stacking energy: -7.040
Base-Backbone interact. energy: -0.001
local terms energy: -12.679810
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -3.254
flat angles P-C4'-P energy: -0.859
tors. eta vs tors. theta energy: 0.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -35.318078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.318078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.318078 (E_RNA)
where:
Base-Base interactions energy: -16.944
where: short stacking energy: -16.944
Base-Backbone interact. energy: -0.000
local terms energy: -18.373729
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -3.553
flat angles C4'-P-C4' energy: -4.386
flat angles P-C4'-P energy: -2.960
tors. eta vs tors. theta energy: -3.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -26.964549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.964549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.964549 (E_RNA)
where:
Base-Base interactions energy: -8.993
where: short stacking energy: -8.993
Base-Backbone interact. energy: -0.000
local terms energy: -17.971606
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -4.370
flat angles P-C4'-P energy: -2.780
tors. eta vs tors. theta energy: -1.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -24.888724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.888724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.888724 (E_RNA)
where:
Base-Base interactions energy: -6.677
where: short stacking energy: -6.677
Base-Backbone interact. energy: -0.000
local terms energy: -18.211157
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.567
flat angles P-C4'-P energy: -3.787
tors. eta vs tors. theta energy: -1.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -34.017634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.017634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.017634 (E_RNA)
where:
Base-Base interactions energy: -13.174
where: short stacking energy: -13.174
Base-Backbone interact. energy: -0.010
local terms energy: -20.833833
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.599
flat angles P-C4'-P energy: -3.862
tors. eta vs tors. theta energy: -2.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -24.827040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.827040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.827040 (E_RNA)
where:
Base-Base interactions energy: -8.768
where: short stacking energy: -8.768
Base-Backbone interact. energy: -0.094
local terms energy: -15.964245
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -4.064
flat angles P-C4'-P energy: -1.739
tors. eta vs tors. theta energy: -0.401
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: 4
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -23.763806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.763806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.763806 (E_RNA)
where:
Base-Base interactions energy: -9.182
where: short stacking energy: -9.282
Base-Backbone interact. energy: -0.002
local terms energy: -14.580341
where:
bonds (distance) C4'-P energy: -3.923
bonds (distance) P-C4' energy: -4.156
flat angles C4'-P-C4' energy: -4.043
flat angles P-C4'-P energy: -1.540
tors. eta vs tors. theta energy: -0.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -36.014036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.014036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.014036 (E_RNA)
where:
Base-Base interactions energy: -16.804
where: short stacking energy: -16.804
Base-Backbone interact. energy: -0.000
local terms energy: -19.209561
where:
bonds (distance) C4'-P energy: -3.363
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -4.536
flat angles P-C4'-P energy: -3.295
tors. eta vs tors. theta energy: -3.351
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: 9
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -33.866421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.866421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.866421 (E_RNA)
where:
Base-Base interactions energy: -12.391
where: short stacking energy: -12.391
Base-Backbone interact. energy: -0.568
local terms energy: -20.907469
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.364
flat angles P-C4'-P energy: -4.006
tors. eta vs tors. theta energy: -3.784
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: 12
Temperature: 1.000000
Total energy: -29.690631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.690631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.690631 (E_RNA)
where:
Base-Base interactions energy: -11.784
where: short stacking energy: -11.784
Base-Backbone interact. energy: -0.000
local terms energy: -17.906310
where:
bonds (distance) C4'-P energy: -3.541
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.820
flat angles P-C4'-P energy: -2.401
tors. eta vs tors. theta energy: -2.023
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: 2
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -28.094163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.094163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.094163 (E_RNA)
where:
Base-Base interactions energy: -8.543
where: short stacking energy: -8.543
Base-Backbone interact. energy: -0.000
local terms energy: -19.550937
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -4.314
flat angles C4'-P-C4' energy: -4.629
flat angles P-C4'-P energy: -2.266
tors. eta vs tors. theta energy: -4.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -31.471400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.471400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.471400 (E_RNA)
where:
Base-Base interactions energy: -12.466
where: short stacking energy: -12.466
Base-Backbone interact. energy: -0.000
local terms energy: -19.005246
where:
bonds (distance) C4'-P energy: -3.256
bonds (distance) P-C4' energy: -4.441
flat angles C4'-P-C4' energy: -3.492
flat angles P-C4'-P energy: -3.740
tors. eta vs tors. theta energy: -4.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -27.232774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.232774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.232774 (E_RNA)
where:
Base-Base interactions energy: -11.270
where: short stacking energy: -11.270
Base-Backbone interact. energy: -0.000
local terms energy: -15.962876
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -1.723
flat angles P-C4'-P energy: -0.307
tors. eta vs tors. theta energy: -4.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -30.550697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.550697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.550697 (E_RNA)
where:
Base-Base interactions energy: -12.775
where: short stacking energy: -12.775
Base-Backbone interact. energy: -0.000
local terms energy: -17.775812
where:
bonds (distance) C4'-P energy: -3.301
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.864
flat angles P-C4'-P energy: -2.503
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: 6
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -26.020285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.020285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.020285 (E_RNA)
where:
Base-Base interactions energy: -13.499
where: short stacking energy: -13.499
Base-Backbone interact. energy: 0.200
local terms energy: -12.721240
where:
bonds (distance) C4'-P energy: -1.766
bonds (distance) P-C4' energy: -3.708
flat angles C4'-P-C4' energy: -3.427
flat angles P-C4'-P energy: -1.910
tors. eta vs tors. theta energy: -1.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -23.686515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.686515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.686515 (E_RNA)
where:
Base-Base interactions energy: -7.736
where: short stacking energy: -7.736
Base-Backbone interact. energy: -0.000
local terms energy: -15.950860
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -3.490
flat angles C4'-P-C4' energy: -3.484
flat angles P-C4'-P energy: -3.239
tors. eta vs tors. theta energy: -1.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -25.036196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.036196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.036196 (E_RNA)
where:
Base-Base interactions energy: -7.481
where: short stacking energy: -7.481
Base-Backbone interact. energy: -0.022
local terms energy: -17.533292
where:
bonds (distance) C4'-P energy: -3.781
bonds (distance) P-C4' energy: -3.815
flat angles C4'-P-C4' energy: -4.494
flat angles P-C4'-P energy: -3.290
tors. eta vs tors. theta energy: -2.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -33.524751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.524751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.524751 (E_RNA)
where:
Base-Base interactions energy: -13.679
where: short stacking energy: -13.679
Base-Backbone interact. energy: -0.000
local terms energy: -19.845837
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.279
flat angles P-C4'-P energy: -3.439
tors. eta vs tors. theta energy: -3.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -38.419309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.419309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.419309 (E_RNA)
where:
Base-Base interactions energy: -18.303
where: short stacking energy: -18.303
Base-Backbone interact. energy: -0.000
local terms energy: -20.116372
where:
bonds (distance) C4'-P energy: -3.566
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -3.781
flat angles P-C4'-P energy: -2.938
tors. eta vs tors. theta energy: -4.947
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: 9
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -33.552358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.552358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.552358 (E_RNA)
where:
Base-Base interactions energy: -15.347
where: short stacking energy: -15.347
Base-Backbone interact. energy: -0.000
local terms energy: -18.205852
where:
bonds (distance) C4'-P energy: -3.256
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -3.663
flat angles P-C4'-P energy: -1.827
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: 4, replica: 2
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -32.793221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.793221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.793221 (E_RNA)
where:
Base-Base interactions energy: -16.037
where: short stacking energy: -16.037
Base-Backbone interact. energy: -0.000
local terms energy: -16.756200
where:
bonds (distance) C4'-P energy: -2.743
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -4.416
flat angles P-C4'-P energy: -1.773
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: 5, replica: 7
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -35.861415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.861415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.861415 (E_RNA)
where:
Base-Base interactions energy: -14.548
where: short stacking energy: -14.548
Base-Backbone interact. energy: -0.000
local terms energy: -21.313475
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -3.936
flat angles P-C4'-P energy: -4.098
tors. eta vs tors. theta energy: -4.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -31.212203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.212203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.212203 (E_RNA)
where:
Base-Base interactions energy: -12.243
where: short stacking energy: -12.243
Base-Backbone interact. energy: -0.000
local terms energy: -18.969092
where:
bonds (distance) C4'-P energy: -4.419
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -4.274
flat angles P-C4'-P energy: -2.482
tors. eta vs tors. theta energy: -3.123
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: 3
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -36.231397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.231397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.231397 (E_RNA)
where:
Base-Base interactions energy: -18.201
where: short stacking energy: -18.201
Base-Backbone interact. energy: -0.000
local terms energy: -18.030484
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -3.765
flat angles P-C4'-P energy: -1.811
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: 8, replica: 4
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -26.836680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.836680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.836680 (E_RNA)
where:
Base-Base interactions energy: -7.488
where: short stacking energy: -7.488
Base-Backbone interact. energy: -0.000
local terms energy: -19.348651
where:
bonds (distance) C4'-P energy: -4.303
bonds (distance) P-C4' energy: -3.984
flat angles C4'-P-C4' energy: -4.662
flat angles P-C4'-P energy: -3.806
tors. eta vs tors. theta energy: -2.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -22.615647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.615647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.615647 (E_RNA)
where:
Base-Base interactions energy: -9.535
where: short stacking energy: -9.535
Base-Backbone interact. energy: -0.019
local terms energy: -13.061081
where:
bonds (distance) C4'-P energy: -2.689
bonds (distance) P-C4' energy: -3.811
flat angles C4'-P-C4' energy: -4.384
flat angles P-C4'-P energy: -1.718
tors. eta vs tors. theta energy: -0.459
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: 10
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -25.135085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.135085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.135085 (E_RNA)
where:
Base-Base interactions energy: -12.560
where: short stacking energy: -12.560
Base-Backbone interact. energy: -0.654
local terms energy: -11.920920
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -1.342
flat angles P-C4'-P energy: -0.906
tors. eta vs tors. theta energy: -0.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -39.149177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.149177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.149177 (E_RNA)
where:
Base-Base interactions energy: -17.648
where: short stacking energy: -17.648
Base-Backbone interact. energy: -0.000
local terms energy: -21.501042
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -3.458
flat angles P-C4'-P energy: -3.579
tors. eta vs tors. theta energy: -5.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -33.304901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.304901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.304901 (E_RNA)
where:
Base-Base interactions energy: -17.077
where: short stacking energy: -8.849
Base-Backbone interact. energy: -0.002
local terms energy: -16.225791
where:
bonds (distance) C4'-P energy: -2.920
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -3.663
flat angles P-C4'-P energy: -2.542
tors. eta vs tors. theta energy: -2.011
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: 9
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -32.382377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.382377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.382377 (E_RNA)
where:
Base-Base interactions energy: -13.223
where: short stacking energy: -13.223
Base-Backbone interact. energy: -0.000
local terms energy: -19.159854
where:
bonds (distance) C4'-P energy: -3.682
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -4.435
flat angles P-C4'-P energy: -2.612
tors. eta vs tors. theta energy: -3.083
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: 14
Temperature: 1.050000
Total energy: -38.086877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.086877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.086877 (E_RNA)
where:
Base-Base interactions energy: -18.070
where: short stacking energy: -18.070
Base-Backbone interact. energy: -0.000
local terms energy: -20.017330
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -3.297
flat angles C4'-P-C4' energy: -4.405
flat angles P-C4'-P energy: -2.589
tors. eta vs tors. theta energy: -5.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -30.934455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.934455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.934455 (E_RNA)
where:
Base-Base interactions energy: -13.828
where: short stacking energy: -13.828
Base-Backbone interact. energy: -0.000
local terms energy: -17.105969
where:
bonds (distance) C4'-P energy: -3.086
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.873
flat angles P-C4'-P energy: -3.647
tors. eta vs tors. theta energy: -1.381
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: 7
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -35.552700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.552700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.552700 (E_RNA)
where:
Base-Base interactions energy: -16.668
where: short stacking energy: -16.668
Base-Backbone interact. energy: -0.000
local terms energy: -18.884775
where:
bonds (distance) C4'-P energy: -3.372
bonds (distance) P-C4' energy: -3.916
flat angles C4'-P-C4' energy: -4.047
flat angles P-C4'-P energy: -2.959
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: 7, replica: 4
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -29.342107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.342107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.342107 (E_RNA)
where:
Base-Base interactions energy: -10.700
where: short stacking energy: -10.700
Base-Backbone interact. energy: -0.037
local terms energy: -18.605014
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -4.221
flat angles P-C4'-P energy: -3.681
tors. eta vs tors. theta energy: -1.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -27.573048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.573048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.573048 (E_RNA)
where:
Base-Base interactions energy: -10.603
where: short stacking energy: -10.603
Base-Backbone interact. energy: -0.000
local terms energy: -16.969579
where:
bonds (distance) C4'-P energy: -3.815
bonds (distance) P-C4' energy: -2.349
flat angles C4'-P-C4' energy: -4.589
flat angles P-C4'-P energy: -2.737
tors. eta vs tors. theta energy: -3.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -22.356946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.356946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.356946 (E_RNA)
where:
Base-Base interactions energy: -8.400
where: short stacking energy: -8.400
Base-Backbone interact. energy: -0.000
local terms energy: -13.956872
where:
bonds (distance) C4'-P energy: -2.275
bonds (distance) P-C4' energy: -4.572
flat angles C4'-P-C4' energy: -2.656
flat angles P-C4'-P energy: -3.156
tors. eta vs tors. theta energy: -1.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -26.577861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.577861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.577861 (E_RNA)
where:
Base-Base interactions energy: -7.366
where: short stacking energy: -7.366
Base-Backbone interact. energy: -0.000
local terms energy: -19.211337
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.309
flat angles P-C4'-P energy: -4.025
tors. eta vs tors. theta energy: -1.705
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: 1, replica: 1
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -37.691394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.691394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.691394 (E_RNA)
where:
Base-Base interactions energy: -16.910
where: short stacking energy: -16.910
Base-Backbone interact. energy: -0.000
local terms energy: -20.781084
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.736
flat angles P-C4'-P energy: -3.523
tors. eta vs tors. theta energy: -3.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -36.159102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.159102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.159102 (E_RNA)
where:
Base-Base interactions energy: -16.063
where: short stacking energy: -16.063
Base-Backbone interact. energy: -0.000
local terms energy: -20.095846
where:
bonds (distance) C4'-P energy: -3.442
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.467
flat angles P-C4'-P energy: -2.534
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: 3, replica: 9
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -38.011421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.011421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.011421 (E_RNA)
where:
Base-Base interactions energy: -17.015
where: short stacking energy: -17.015
Base-Backbone interact. energy: -0.000
local terms energy: -20.996530
where:
bonds (distance) C4'-P energy: -3.372
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -4.530
flat angles P-C4'-P energy: -2.490
tors. eta vs tors. theta energy: -5.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -29.815019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.815019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.815019 (E_RNA)
where:
Base-Base interactions energy: -13.194
where: short stacking energy: -13.104
Base-Backbone interact. energy: -0.003
local terms energy: -16.617407
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -3.790
flat angles C4'-P-C4' energy: -3.877
flat angles P-C4'-P energy: -2.665
tors. eta vs tors. theta energy: -1.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -34.819355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.819355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.819355 (E_RNA)
where:
Base-Base interactions energy: -17.848
where: short stacking energy: -17.848
Base-Backbone interact. energy: -0.000
local terms energy: -16.970899
where:
bonds (distance) C4'-P energy: -1.969
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -1.512
flat angles P-C4'-P energy: -2.540
tors. eta vs tors. theta energy: -5.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -32.651685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.651685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.651685 (E_RNA)
where:
Base-Base interactions energy: -13.232
where: short stacking energy: -13.232
Base-Backbone interact. energy: -0.000
local terms energy: -19.419294
where:
bonds (distance) C4'-P energy: -3.036
bonds (distance) P-C4' energy: -4.572
flat angles C4'-P-C4' energy: -3.570
flat angles P-C4'-P energy: -2.957
tors. eta vs tors. theta energy: -5.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -29.267967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.267967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.267967 (E_RNA)
where:
Base-Base interactions energy: -12.022
where: short stacking energy: -12.022
Base-Backbone interact. energy: -0.003
local terms energy: -17.242373
where:
bonds (distance) C4'-P energy: -3.939
bonds (distance) P-C4' energy: -4.678
flat angles C4'-P-C4' energy: -4.383
flat angles P-C4'-P energy: -3.481
tors. eta vs tors. theta energy: -0.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -30.348928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.348928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.348928 (E_RNA)
where:
Base-Base interactions energy: -11.230
where: short stacking energy: -11.230
Base-Backbone interact. energy: -0.000
local terms energy: -19.118951
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.490
flat angles P-C4'-P energy: -1.876
tors. eta vs tors. theta energy: -3.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -26.579078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.579078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.579078 (E_RNA)
where:
Base-Base interactions energy: -13.400
where: short stacking energy: -13.400
Base-Backbone interact. energy: -0.000
local terms energy: -13.179462
where:
bonds (distance) C4'-P energy: -2.391
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -1.331
flat angles P-C4'-P energy: -2.397
tors. eta vs tors. theta energy: -2.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -29.696901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.696901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.696901 (E_RNA)
where:
Base-Base interactions energy: -11.866
where: short stacking energy: -11.866
Base-Backbone interact. energy: -0.000
local terms energy: -17.830621
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -4.410
flat angles C4'-P-C4' energy: -3.341
flat angles P-C4'-P energy: -2.668
tors. eta vs tors. theta energy: -2.786
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: 8
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -30.704444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.704444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.704444 (E_RNA)
where:
Base-Base interactions energy: -12.456
where: short stacking energy: -12.456
Base-Backbone interact. energy: -0.001
local terms energy: -18.247729
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -4.078
flat angles C4'-P-C4' energy: -4.394
flat angles P-C4'-P energy: -3.616
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: 2, replica: 1
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -34.277809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.277809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.277809 (E_RNA)
where:
Base-Base interactions energy: -13.707
where: short stacking energy: -13.707
Base-Backbone interact. energy: -0.000
local terms energy: -20.570751
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.533
flat angles P-C4'-P energy: -3.240
tors. eta vs tors. theta energy: -4.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -31.171646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.171646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.171646 (E_RNA)
where:
Base-Base interactions energy: -12.292
where: short stacking energy: -12.292
Base-Backbone interact. energy: -0.000
local terms energy: -18.880005
where:
bonds (distance) C4'-P energy: -3.326
bonds (distance) P-C4' energy: -4.624
flat angles C4'-P-C4' energy: -4.219
flat angles P-C4'-P energy: -3.303
tors. eta vs tors. theta energy: -3.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -26.440383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.440383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.440383 (E_RNA)
where:
Base-Base interactions energy: -7.367
where: short stacking energy: -7.367
Base-Backbone interact. energy: -0.714
local terms energy: -18.359276
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -4.044
flat angles C4'-P-C4' energy: -4.432
flat angles P-C4'-P energy: -3.244
tors. eta vs tors. theta energy: -2.974
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: 4
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -28.409732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.409732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.409732 (E_RNA)
where:
Base-Base interactions energy: -11.304
where: short stacking energy: -11.304
Base-Backbone interact. energy: -0.000
local terms energy: -17.105309
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -4.712
flat angles P-C4'-P energy: -2.071
tors. eta vs tors. theta energy: -1.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -27.295780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.295780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.295780 (E_RNA)
where:
Base-Base interactions energy: -9.569
where: short stacking energy: -9.569
Base-Backbone interact. energy: -0.000
local terms energy: -17.726397
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -4.147
flat angles P-C4'-P energy: -0.434
tors. eta vs tors. theta energy: -3.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -24.774617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.774617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.774617 (E_RNA)
where:
Base-Base interactions energy: -6.273
where: short stacking energy: -6.273
Base-Backbone interact. energy: -0.000
local terms energy: -18.501182
where:
bonds (distance) C4'-P energy: -3.363
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.791
flat angles P-C4'-P energy: -3.787
tors. eta vs tors. theta energy: -2.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -30.373848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.373848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.373848 (E_RNA)
where:
Base-Base interactions energy: -12.092
where: short stacking energy: -12.092
Base-Backbone interact. energy: -0.000
local terms energy: -18.282103
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -3.165
flat angles C4'-P-C4' energy: -4.425
flat angles P-C4'-P energy: -2.579
tors. eta vs tors. theta energy: -4.455
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: 6
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -22.938191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.938191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.938191 (E_RNA)
where:
Base-Base interactions energy: -7.938
where: short stacking energy: -7.447
Base-Backbone interact. energy: -0.008
local terms energy: -14.991384
where:
bonds (distance) C4'-P energy: -3.745
bonds (distance) P-C4' energy: -4.417
flat angles C4'-P-C4' energy: -4.564
flat angles P-C4'-P energy: 0.173
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: 10, replica: 3
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -23.531066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.531066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.531066 (E_RNA)
where:
Base-Base interactions energy: -9.370
where: short stacking energy: -9.370
Base-Backbone interact. energy: -0.051
local terms energy: -14.109444
where:
bonds (distance) C4'-P energy: -2.672
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -4.231
flat angles P-C4'-P energy: -1.952
tors. eta vs tors. theta energy: 0.093
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: 8
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -28.098109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.098109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.098109 (E_RNA)
where:
Base-Base interactions energy: -12.767
where: short stacking energy: -12.767
Base-Backbone interact. energy: -0.000
local terms energy: -15.331125
where:
bonds (distance) C4'-P energy: -3.861
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -2.834
flat angles P-C4'-P energy: -3.433
tors. eta vs tors. theta energy: -0.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -38.606177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.606177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.606177 (E_RNA)
where:
Base-Base interactions energy: -17.538
where: short stacking energy: -17.538
Base-Backbone interact. energy: -0.000
local terms energy: -21.068191
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.481
flat angles P-C4'-P energy: -2.322
tors. eta vs tors. theta energy: -4.861
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: 1
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -31.227097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.227097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.227097 (E_RNA)
where:
Base-Base interactions energy: -12.786
where: short stacking energy: -12.786
Base-Backbone interact. energy: -0.000
local terms energy: -18.441501
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.410
flat angles C4'-P-C4' energy: -4.782
flat angles P-C4'-P energy: -2.940
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: 4, replica: 4
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -27.356397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.356397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.356397 (E_RNA)
where:
Base-Base interactions energy: -8.245
where: short stacking energy: -8.245
Base-Backbone interact. energy: -0.000
local terms energy: -19.110943
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -3.602
flat angles P-C4'-P energy: -3.191
tors. eta vs tors. theta energy: -2.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -26.885386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.885386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.885386 (E_RNA)
where:
Base-Base interactions energy: -9.161
where: short stacking energy: -9.161
Base-Backbone interact. energy: -0.014
local terms energy: -17.709638
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -3.837
flat angles P-C4'-P energy: -4.031
tors. eta vs tors. theta energy: -1.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -35.928041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.928041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.928041 (E_RNA)
where:
Base-Base interactions energy: -17.346
where: short stacking energy: -17.346
Base-Backbone interact. energy: -0.000
local terms energy: -18.582097
where:
bonds (distance) C4'-P energy: -3.372
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.732
flat angles P-C4'-P energy: -2.330
tors. eta vs tors. theta energy: -3.714
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: 7, replica: 5
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -28.693965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.693965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.693965 (E_RNA)
where:
Base-Base interactions energy: -12.425
where: short stacking energy: -12.425
Base-Backbone interact. energy: -0.000
local terms energy: -16.268551
where:
bonds (distance) C4'-P energy: -3.036
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.397
flat angles P-C4'-P energy: -1.310
tors. eta vs tors. theta energy: -3.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -23.161473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.161473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.161473 (E_RNA)
where:
Base-Base interactions energy: -8.717
where: short stacking energy: -8.717
Base-Backbone interact. energy: -0.001
local terms energy: -14.443635
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.381
flat angles P-C4'-P energy: -2.011
tors. eta vs tors. theta energy: 0.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -24.152002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.152002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.152002 (E_RNA)
where:
Base-Base interactions energy: -8.236
where: short stacking energy: -8.236
Base-Backbone interact. energy: -0.000
local terms energy: -15.915723
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -3.056
flat angles P-C4'-P energy: -3.253
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: 3
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -21.616343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.616343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.616343 (E_RNA)
where:
Base-Base interactions energy: -6.463
where: short stacking energy: -6.463
Base-Backbone interact. energy: -0.000
local terms energy: -15.153492
where:
bonds (distance) C4'-P energy: -2.209
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -4.589
flat angles P-C4'-P energy: -1.298
tors. eta vs tors. theta energy: -1.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -37.423666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.423666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.423666 (E_RNA)
where:
Base-Base interactions energy: -16.636
where: short stacking energy: -16.636
Base-Backbone interact. energy: -0.000
local terms energy: -20.787831
where:
bonds (distance) C4'-P energy: -4.055
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -4.805
flat angles P-C4'-P energy: -1.870
tors. eta vs tors. theta energy: -5.222
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: 8
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -33.076056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.076056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.076056 (E_RNA)
where:
Base-Base interactions energy: -17.501
where: short stacking energy: -17.501
Base-Backbone interact. energy: -0.000
local terms energy: -15.575130
where:
bonds (distance) C4'-P energy: -0.743
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -3.499
flat angles P-C4'-P energy: -2.320
tors. eta vs tors. theta energy: -4.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -29.027689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.027689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.027689 (E_RNA)
where:
Base-Base interactions energy: -12.000
where: short stacking energy: -12.000
Base-Backbone interact. energy: -0.001
local terms energy: -17.025887
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -3.360
flat angles C4'-P-C4' energy: -4.349
flat angles P-C4'-P energy: -3.338
tors. eta vs tors. theta energy: -1.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -25.871114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.871114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.871114 (E_RNA)
where:
Base-Base interactions energy: -12.756
where: short stacking energy: -12.756
Base-Backbone interact. energy: -0.000
local terms energy: -13.115571
where:
bonds (distance) C4'-P energy: -2.680
bonds (distance) P-C4' energy: -4.575
flat angles C4'-P-C4' energy: -2.474
flat angles P-C4'-P energy: -1.445
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: 5, replica: 10
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -31.482773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.482773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.482773 (E_RNA)
where:
Base-Base interactions energy: -10.352
where: short stacking energy: -10.352
Base-Backbone interact. energy: -0.000
local terms energy: -21.130609
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -3.552
flat angles P-C4'-P energy: -3.488
tors. eta vs tors. theta energy: -4.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -28.398459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.398459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.398459 (E_RNA)
where:
Base-Base interactions energy: -11.686
where: short stacking energy: -11.686
Base-Backbone interact. energy: -0.013
local terms energy: -16.699232
where:
bonds (distance) C4'-P energy: -4.448
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -2.943
flat angles P-C4'-P energy: -2.648
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: 7, replica: 6
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -29.962528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.962528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.962528 (E_RNA)
where:
Base-Base interactions energy: -13.538
where: short stacking energy: -13.307
Base-Backbone interact. energy: -0.009
local terms energy: -16.414930
where:
bonds (distance) C4'-P energy: -3.148
bonds (distance) P-C4' energy: -2.027
flat angles C4'-P-C4' energy: -4.805
flat angles P-C4'-P energy: -3.184
tors. eta vs tors. theta energy: -3.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -26.430062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.430062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.430062 (E_RNA)
where:
Base-Base interactions energy: -8.467
where: short stacking energy: -8.467
Base-Backbone interact. energy: -0.000
local terms energy: -17.963219
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.167
flat angles P-C4'-P energy: -3.183
tors. eta vs tors. theta energy: -1.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -27.928708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.928708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.928708 (E_RNA)
where:
Base-Base interactions energy: -9.323
where: short stacking energy: -9.323
Base-Backbone interact. energy: -0.000
local terms energy: -18.605334
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.803
flat angles P-C4'-P energy: -2.809
tors. eta vs tors. theta energy: -2.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -27.348243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.348243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.348243 (E_RNA)
where:
Base-Base interactions energy: -12.385
where: short stacking energy: -12.385
Base-Backbone interact. energy: -0.000
local terms energy: -14.962709
where:
bonds (distance) C4'-P energy: -0.280
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -4.419
flat angles P-C4'-P energy: -2.654
tors. eta vs tors. theta energy: -2.774
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: 2
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -38.623397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.623397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.623397 (E_RNA)
where:
Base-Base interactions energy: -17.836
where: short stacking energy: -17.836
Base-Backbone interact. energy: -0.000
local terms energy: -20.787831
where:
bonds (distance) C4'-P energy: -4.055
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -4.805
flat angles P-C4'-P energy: -1.870
tors. eta vs tors. theta energy: -5.222
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: 8
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -32.725335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.725335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.725335 (E_RNA)
where:
Base-Base interactions energy: -15.188
where: short stacking energy: -9.219
Base-Backbone interact. energy: -0.000
local terms energy: -17.536733
where:
bonds (distance) C4'-P energy: -3.699
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -2.794
flat angles P-C4'-P energy: -3.873
tors. eta vs tors. theta energy: -2.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -33.416493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.416493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.416493 (E_RNA)
where:
Base-Base interactions energy: -18.863
where: short stacking energy: -8.077
Base-Backbone interact. energy: 0.457
local terms energy: -15.010587
where:
bonds (distance) C4'-P energy: -3.161
bonds (distance) P-C4' energy: -3.941
flat angles C4'-P-C4' energy: -4.502
flat angles P-C4'-P energy: -1.790
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: 4, replica: 10
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -33.202433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.202433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.202433 (E_RNA)
where:
Base-Base interactions energy: -14.473
where: short stacking energy: -14.473
Base-Backbone interact. energy: -0.000
local terms energy: -18.729561
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.572
flat angles P-C4'-P energy: -3.186
tors. eta vs tors. theta energy: -2.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -30.134276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.134276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.134276 (E_RNA)
where:
Base-Base interactions energy: -12.973
where: short stacking energy: -12.973
Base-Backbone interact. energy: -0.000
local terms energy: -17.160896
where:
bonds (distance) C4'-P energy: -3.753
bonds (distance) P-C4' energy: -4.051
flat angles C4'-P-C4' energy: -2.691
flat angles P-C4'-P energy: -2.328
tors. eta vs tors. theta energy: -4.338
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: 6
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -24.194045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.194045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.194045 (E_RNA)
where:
Base-Base interactions energy: -10.904
where: short stacking energy: -4.314
Base-Backbone interact. energy: -0.000
local terms energy: -13.289485
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -3.401
flat angles C4'-P-C4' energy: -2.977
flat angles P-C4'-P energy: -3.369
tors. eta vs tors. theta energy: 0.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -25.068989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.068989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.068989 (E_RNA)
where:
Base-Base interactions energy: -8.450
where: short stacking energy: -8.450
Base-Backbone interact. energy: -0.000
local terms energy: -16.619154
where:
bonds (distance) C4'-P energy: -3.541
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -3.791
flat angles P-C4'-P energy: -2.074
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: 8, replica: 3
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -24.894089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.894089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.894089 (E_RNA)
where:
Base-Base interactions energy: -7.743
where: short stacking energy: -7.743
Base-Backbone interact. energy: -0.000
local terms energy: -17.150640
where:
bonds (distance) C4'-P energy: -4.341
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.017
flat angles P-C4'-P energy: -2.505
tors. eta vs tors. theta energy: -1.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -25.338263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.338263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.338263 (E_RNA)
where:
Base-Base interactions energy: -8.925
where: short stacking energy: -8.925
Base-Backbone interact. energy: -0.066
local terms energy: -16.347375
where:
bonds (distance) C4'-P energy: -3.815
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -4.152
flat angles P-C4'-P energy: -3.787
tors. eta vs tors. theta energy: 0.077
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: 7
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -24.238251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.238251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.238251 (E_RNA)
where:
Base-Base interactions energy: -7.038
where: short stacking energy: -7.038
Base-Backbone interact. energy: -0.000
local terms energy: -17.199866
where:
bonds (distance) C4'-P energy: -2.466
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -3.842
flat angles P-C4'-P energy: -3.789
tors. eta vs tors. theta energy: -2.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -38.763210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.763210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.763210 (E_RNA)
where:
Base-Base interactions energy: -16.614
where: short stacking energy: -16.614
Base-Backbone interact. energy: -0.000
local terms energy: -22.149556
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.257
flat angles P-C4'-P energy: -3.503
tors. eta vs tors. theta energy: -5.511
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: 20
Temperature: 0.950000
Total energy: -38.719995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.719995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.719995 (E_RNA)
where:
Base-Base interactions energy: -17.026
where: short stacking energy: -17.026
Base-Backbone interact. energy: -0.000
local terms energy: -21.694328
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -4.732
flat angles P-C4'-P energy: -3.161
tors. eta vs tors. theta energy: -5.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -32.904417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.904417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.904417 (E_RNA)
where:
Base-Base interactions energy: -12.827
where: short stacking energy: -12.827
Base-Backbone interact. energy: -0.000
local terms energy: -20.077028
where:
bonds (distance) C4'-P energy: -4.154
bonds (distance) P-C4' energy: -3.984
flat angles C4'-P-C4' energy: -4.104
flat angles P-C4'-P energy: -2.913
tors. eta vs tors. theta energy: -4.922
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: 4
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -32.098465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.098465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.098465 (E_RNA)
where:
Base-Base interactions energy: -12.770
where: short stacking energy: -12.770
Base-Backbone interact. energy: -0.000
local terms energy: -19.328035
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.174
flat angles C4'-P-C4' energy: -4.099
flat angles P-C4'-P energy: -3.034
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: 5, replica: 6
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -34.109798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.109798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.109798 (E_RNA)
where:
Base-Base interactions energy: -14.888
where: short stacking energy: -14.888
Base-Backbone interact. energy: -0.000
local terms energy: -19.221314
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.783
flat angles P-C4'-P energy: -3.037
tors. eta vs tors. theta energy: -3.315
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: 20
Temperature: 1.150000
Total energy: -27.156074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.156074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.156074 (E_RNA)
where:
Base-Base interactions energy: -9.585
where: short stacking energy: -9.585
Base-Backbone interact. energy: -0.000
local terms energy: -17.570770
where:
bonds (distance) C4'-P energy: -4.634
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -3.694
flat angles P-C4'-P energy: -2.059
tors. eta vs tors. theta energy: -2.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -35.332236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.332236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.332236 (E_RNA)
where:
Base-Base interactions energy: -14.295
where: short stacking energy: -14.295
Base-Backbone interact. energy: -0.000
local terms energy: -21.037065
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.767
flat angles P-C4'-P energy: -3.882
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: 8, replica: 9
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -24.468066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.468066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.468066 (E_RNA)
where:
Base-Base interactions energy: -12.512
where: short stacking energy: -6.253
Base-Backbone interact. energy: -0.000
local terms energy: -11.955253
where:
bonds (distance) C4'-P energy: -4.233
bonds (distance) P-C4' energy: -1.691
flat angles C4'-P-C4' energy: -1.854
flat angles P-C4'-P energy: -1.546
tors. eta vs tors. theta energy: -2.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -23.147466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.147466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.147466 (E_RNA)
where:
Base-Base interactions energy: -6.730
where: short stacking energy: -6.730
Base-Backbone interact. energy: -0.001
local terms energy: -16.416614
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -4.336
flat angles C4'-P-C4' energy: -3.671
flat angles P-C4'-P energy: -3.672
tors. eta vs tors. theta energy: -0.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -25.112701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.112701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.112701 (E_RNA)
where:
Base-Base interactions energy: -10.417
where: short stacking energy: -10.417
Base-Backbone interact. energy: -0.000
local terms energy: -14.695368
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.393
flat angles P-C4'-P energy: 0.518
tors. eta vs tors. theta energy: -2.812
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: 1, replica: 8
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -39.869481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.869481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.869481 (E_RNA)
where:
Base-Base interactions energy: -18.828
where: short stacking energy: -18.828
Base-Backbone interact. energy: -0.000
local terms energy: -21.041360
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.674
flat angles C4'-P-C4' energy: -3.658
flat angles P-C4'-P energy: -2.995
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: 2, replica: 2
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -36.937591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.937591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.937591 (E_RNA)
where:
Base-Base interactions energy: -17.549
where: short stacking energy: -17.549
Base-Backbone interact. energy: -0.000
local terms energy: -19.388153
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -4.118
flat angles P-C4'-P energy: -2.758
tors. eta vs tors. theta energy: -3.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -30.710342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.710342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.710342 (E_RNA)
where:
Base-Base interactions energy: -11.283
where: short stacking energy: -11.283
Base-Backbone interact. energy: -0.000
local terms energy: -19.427486
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -3.942
flat angles P-C4'-P energy: -2.755
tors. eta vs tors. theta energy: -3.834
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: 6
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -34.055037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.055037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.055037 (E_RNA)
where:
Base-Base interactions energy: -15.647
where: short stacking energy: -15.647
Base-Backbone interact. energy: -0.000
local terms energy: -18.407707
where:
bonds (distance) C4'-P energy: -2.271
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -4.839
flat angles P-C4'-P energy: -3.059
tors. eta vs tors. theta energy: -3.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -33.508947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.508947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.508947 (E_RNA)
where:
Base-Base interactions energy: -13.624
where: short stacking energy: -13.624
Base-Backbone interact. energy: -0.000
local terms energy: -19.884925
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.924
flat angles P-C4'-P energy: -3.140
tors. eta vs tors. theta energy: -3.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -32.080274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.080274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.080274 (E_RNA)
where:
Base-Base interactions energy: -11.694
where: short stacking energy: -11.694
Base-Backbone interact. energy: -0.000
local terms energy: -20.386065
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.525
flat angles P-C4'-P energy: -1.684
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: 7, replica: 3
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -33.998725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.998725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.998725 (E_RNA)
where:
Base-Base interactions energy: -13.335
where: short stacking energy: -13.335
Base-Backbone interact. energy: -0.000
local terms energy: -20.664058
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.661
flat angles P-C4'-P energy: -2.892
tors. eta vs tors. theta energy: -3.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -28.985570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.985570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.985570 (E_RNA)
where:
Base-Base interactions energy: -12.541
where: short stacking energy: -12.541
Base-Backbone interact. energy: -0.000
local terms energy: -16.444444
where:
bonds (distance) C4'-P energy: -2.494
bonds (distance) P-C4' energy: -3.490
flat angles C4'-P-C4' energy: -4.628
flat angles P-C4'-P energy: -2.752
tors. eta vs tors. theta energy: -3.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -24.939811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.939811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.939811 (E_RNA)
where:
Base-Base interactions energy: -10.052
where: short stacking energy: -11.052
Base-Backbone interact. energy: -0.002
local terms energy: -14.885878
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.202
flat angles C4'-P-C4' energy: -3.087
flat angles P-C4'-P energy: -1.773
tors. eta vs tors. theta energy: -1.305
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: 5
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -26.508212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.508212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.508212 (E_RNA)
where:
Base-Base interactions energy: -10.787
where: short stacking energy: -10.787
Base-Backbone interact. energy: -0.022
local terms energy: -15.699270
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -3.557
flat angles C4'-P-C4' energy: -2.054
flat angles P-C4'-P energy: -3.374
tors. eta vs tors. theta energy: -2.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -38.907475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.907475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.907475 (E_RNA)
where:
Base-Base interactions energy: -18.238
where: short stacking energy: -18.238
Base-Backbone interact. energy: -0.000
local terms energy: -20.669281
where:
bonds (distance) C4'-P energy: -2.379
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -4.181
flat angles P-C4'-P energy: -3.502
tors. eta vs tors. theta energy: -5.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -37.891433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.891433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.891433 (E_RNA)
where:
Base-Base interactions energy: -21.795
where: short stacking energy: -12.791
Base-Backbone interact. energy: 0.064
local terms energy: -16.161085
where:
bonds (distance) C4'-P energy: -2.875
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.305
flat angles P-C4'-P energy: -3.843
tors. eta vs tors. theta energy: -1.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -31.692349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.692349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.692349 (E_RNA)
where:
Base-Base interactions energy: -15.499
where: short stacking energy: -8.683
Base-Backbone interact. energy: -0.011
local terms energy: -16.182313
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.265
flat angles P-C4'-P energy: -2.118
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: 4, replica: 10
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -29.755615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.755615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.755615 (E_RNA)
where:
Base-Base interactions energy: -12.520
where: short stacking energy: -12.520
Base-Backbone interact. energy: -0.001
local terms energy: -17.234843
where:
bonds (distance) C4'-P energy: -1.641
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -4.246
flat angles P-C4'-P energy: -2.923
tors. eta vs tors. theta energy: -3.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -38.274356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.274356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.274356 (E_RNA)
where:
Base-Base interactions energy: -17.747
where: short stacking energy: -17.747
Base-Backbone interact. energy: -0.000
local terms energy: -20.527005
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.177
flat angles C4'-P-C4' energy: -4.363
flat angles P-C4'-P energy: -2.541
tors. eta vs tors. theta energy: -4.927
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: 4
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -27.002154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.002154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.002154 (E_RNA)
where:
Base-Base interactions energy: -11.490
where: short stacking energy: -11.490
Base-Backbone interact. energy: -0.000
local terms energy: -15.512103
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -3.631
flat angles C4'-P-C4' energy: -3.670
flat angles P-C4'-P energy: -1.556
tors. eta vs tors. theta energy: -2.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -32.649834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.649834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.649834 (E_RNA)
where:
Base-Base interactions energy: -14.239
where: short stacking energy: -14.239
Base-Backbone interact. energy: -0.000
local terms energy: -18.410933
where:
bonds (distance) C4'-P energy: -3.202
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -2.929
flat angles P-C4'-P energy: -2.858
tors. eta vs tors. theta energy: -4.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -25.495142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.495142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.495142 (E_RNA)
where:
Base-Base interactions energy: -8.294
where: short stacking energy: -8.294
Base-Backbone interact. energy: -0.000
local terms energy: -17.201378
where:
bonds (distance) C4'-P energy: -2.564
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -4.271
flat angles P-C4'-P energy: -3.475
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: 9, replica: 5
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -27.552628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.552628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.552628 (E_RNA)
where:
Base-Base interactions energy: -11.534
where: short stacking energy: -11.534
Base-Backbone interact. energy: 0.123
local terms energy: -16.141645
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -2.553
flat angles P-C4'-P energy: -1.675
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: 9
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -25.400280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.400280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.400280 (E_RNA)
where:
Base-Base interactions energy: -8.161
where: short stacking energy: -8.161
Base-Backbone interact. energy: -0.001
local terms energy: -17.238369
where:
bonds (distance) C4'-P energy: -3.479
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.935
flat angles P-C4'-P energy: -3.872
tors. eta vs tors. theta energy: -0.834
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: 1, replica: 8
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -36.434065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.434065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.434065 (E_RNA)
where:
Base-Base interactions energy: -15.472
where: short stacking energy: -15.472
Base-Backbone interact. energy: -0.000
local terms energy: -20.962539
where:
bonds (distance) C4'-P energy: -4.634
bonds (distance) P-C4' energy: -4.174
flat angles C4'-P-C4' energy: -4.097
flat angles P-C4'-P energy: -3.434
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: 2, replica: 6
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -32.722392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.722392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.722392 (E_RNA)
where:
Base-Base interactions energy: -15.557
where: short stacking energy: -7.478
Base-Backbone interact. energy: -0.000
local terms energy: -17.165650
where:
bonds (distance) C4'-P energy: -3.753
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -2.658
flat angles P-C4'-P energy: -2.716
tors. eta vs tors. theta energy: -2.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -32.922902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.922902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.922902 (E_RNA)
where:
Base-Base interactions energy: -11.703
where: short stacking energy: -11.703
Base-Backbone interact. energy: -0.000
local terms energy: -21.219780
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -4.432
flat angles P-C4'-P energy: -2.817
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: 4, replica: 1
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -33.734238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.734238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.734238 (E_RNA)
where:
Base-Base interactions energy: -13.347
where: short stacking energy: -13.347
Base-Backbone interact. energy: -0.000
local terms energy: -20.387458
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.046
flat angles P-C4'-P energy: -3.549
tors. eta vs tors. theta energy: -3.039
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: 10
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -34.421126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.421126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.421126 (E_RNA)
where:
Base-Base interactions energy: -13.954
where: short stacking energy: -13.954
Base-Backbone interact. energy: -0.000
local terms energy: -20.466674
where:
bonds (distance) C4'-P energy: -3.745
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -3.533
flat angles P-C4'-P energy: -2.978
tors. eta vs tors. theta energy: -5.325
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: 4
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -29.924476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.924476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.924476 (E_RNA)
where:
Base-Base interactions energy: -11.226
where: short stacking energy: -11.226
Base-Backbone interact. energy: -0.001
local terms energy: -18.697626
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.295
flat angles P-C4'-P energy: -2.023
tors. eta vs tors. theta energy: -2.399
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: 7, replica: 3
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -26.561394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.561394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.561394 (E_RNA)
where:
Base-Base interactions energy: -9.579
where: short stacking energy: -9.579
Base-Backbone interact. energy: -0.000
local terms energy: -16.982037
where:
bonds (distance) C4'-P energy: -3.558
bonds (distance) P-C4' energy: -4.649
flat angles C4'-P-C4' energy: -4.042
flat angles P-C4'-P energy: -1.845
tors. eta vs tors. theta energy: -2.888
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: 23
Temperature: 1.250000
Total energy: -25.527311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.527311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.527311 (E_RNA)
where:
Base-Base interactions energy: -7.690
where: short stacking energy: -7.690
Base-Backbone interact. energy: -0.000
local terms energy: -17.837498
where:
bonds (distance) C4'-P energy: -3.939
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -3.608
flat angles P-C4'-P energy: -4.036
tors. eta vs tors. theta energy: -1.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -27.305888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.305888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.305888 (E_RNA)
where:
Base-Base interactions energy: -11.311
where: short stacking energy: -11.311
Base-Backbone interact. energy: -0.000
local terms energy: -15.994581
where:
bonds (distance) C4'-P energy: -3.194
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.186
flat angles P-C4'-P energy: -2.575
tors. eta vs tors. theta energy: -0.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -25.906484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.906484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.906484 (E_RNA)
where:
Base-Base interactions energy: -9.323
where: short stacking energy: -9.323
Base-Backbone interact. energy: -0.000
local terms energy: -16.583255
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -3.553
flat angles C4'-P-C4' energy: -3.073
flat angles P-C4'-P energy: -2.737
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: 6
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -39.017788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.017788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.017788 (E_RNA)
where:
Base-Base interactions energy: -17.949
where: short stacking energy: -17.949
Base-Backbone interact. energy: -0.000
local terms energy: -21.068738
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.674
flat angles C4'-P-C4' energy: -4.123
flat angles P-C4'-P energy: -2.325
tors. eta vs tors. theta energy: -5.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -32.418562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.418562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.418562 (E_RNA)
where:
Base-Base interactions energy: -18.819
where: short stacking energy: -9.381
Base-Backbone interact. energy: -0.011
local terms energy: -13.588573
where:
bonds (distance) C4'-P energy: -1.852
bonds (distance) P-C4' energy: -4.600
flat angles C4'-P-C4' energy: -4.530
flat angles P-C4'-P energy: -3.008
tors. eta vs tors. theta energy: 0.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -33.974611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.974611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.974611 (E_RNA)
where:
Base-Base interactions energy: -16.715
where: short stacking energy: -16.715
Base-Backbone interact. energy: -0.000
local terms energy: -17.259985
where:
bonds (distance) C4'-P energy: -2.804
bonds (distance) P-C4' energy: -3.786
flat angles C4'-P-C4' energy: -3.409
flat angles P-C4'-P energy: -3.994
tors. eta vs tors. theta energy: -3.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -27.551846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.551846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.551846 (E_RNA)
where:
Base-Base interactions energy: -8.248
where: short stacking energy: -8.248
Base-Backbone interact. energy: -0.000
local terms energy: -19.303916
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.820
flat angles P-C4'-P energy: -3.136
tors. eta vs tors. theta energy: -1.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -31.772057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.772057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.772057 (E_RNA)
where:
Base-Base interactions energy: -12.916
where: short stacking energy: -12.916
Base-Backbone interact. energy: -0.000
local terms energy: -18.855626
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.693
flat angles P-C4'-P energy: -3.070
tors. eta vs tors. theta energy: -3.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -32.280783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.280783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.280783 (E_RNA)
where:
Base-Base interactions energy: -12.201
where: short stacking energy: -12.201
Base-Backbone interact. energy: -0.000
local terms energy: -20.079594
where:
bonds (distance) C4'-P energy: -2.859
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -3.934
flat angles P-C4'-P energy: -3.070
tors. eta vs tors. theta energy: -5.092
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: 5
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -33.409898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.409898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.409898 (E_RNA)
where:
Base-Base interactions energy: -14.040
where: short stacking energy: -14.040
Base-Backbone interact. energy: -0.000
local terms energy: -19.369508
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -2.148
flat angles P-C4'-P energy: -3.303
tors. eta vs tors. theta energy: -4.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -25.859073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.859073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.859073 (E_RNA)
where:
Base-Base interactions energy: -10.804
where: short stacking energy: -10.804
Base-Backbone interact. energy: -0.000
local terms energy: -15.054841
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.131
flat angles P-C4'-P energy: -1.012
tors. eta vs tors. theta energy: -0.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -29.016983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.016983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.016983 (E_RNA)
where:
Base-Base interactions energy: -8.919
where: short stacking energy: -8.919
Base-Backbone interact. energy: -0.307
local terms energy: -19.791214
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.142
flat angles P-C4'-P energy: -3.612
tors. eta vs tors. theta energy: -3.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -24.450866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.450866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.450866 (E_RNA)
where:
Base-Base interactions energy: -6.625
where: short stacking energy: -6.625
Base-Backbone interact. energy: -0.000
local terms energy: -17.825368
where:
bonds (distance) C4'-P energy: -3.939
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -4.452
flat angles P-C4'-P energy: -3.506
tors. eta vs tors. theta energy: -1.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -39.205742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.205742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.205742 (E_RNA)
where:
Base-Base interactions energy: -17.489
where: short stacking energy: -17.489
Base-Backbone interact. energy: -0.000
local terms energy: -21.716950
where:
bonds (distance) C4'-P energy: -4.279
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.590
flat angles P-C4'-P energy: -3.854
tors. eta vs tors. theta energy: -3.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -36.762833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.762833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.762833 (E_RNA)
where:
Base-Base interactions energy: -16.892
where: short stacking energy: -16.892
Base-Backbone interact. energy: -0.000
local terms energy: -19.870755
where:
bonds (distance) C4'-P energy: -1.766
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.261
flat angles P-C4'-P energy: -3.338
tors. eta vs tors. theta energy: -5.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -25.009116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.009116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.009116 (E_RNA)
where:
Base-Base interactions energy: -9.005
where: short stacking energy: -9.005
Base-Backbone interact. energy: -0.000
local terms energy: -16.003818
where:
bonds (distance) C4'-P energy: -3.753
bonds (distance) P-C4' energy: -3.981
flat angles C4'-P-C4' energy: -4.659
flat angles P-C4'-P energy: -2.886
tors. eta vs tors. theta energy: -0.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -31.303474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.303474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.303474 (E_RNA)
where:
Base-Base interactions energy: -11.229
where: short stacking energy: -11.229
Base-Backbone interact. energy: -0.000
local terms energy: -20.074056
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.764
flat angles P-C4'-P energy: -3.364
tors. eta vs tors. theta energy: -3.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -33.020571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.020571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.020571 (E_RNA)
where:
Base-Base interactions energy: -13.388
where: short stacking energy: -13.388
Base-Backbone interact. energy: -0.000
local terms energy: -19.632113
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.992
flat angles P-C4'-P energy: -3.625
tors. eta vs tors. theta energy: -2.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -30.242674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.242674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.242674 (E_RNA)
where:
Base-Base interactions energy: -11.744
where: short stacking energy: -11.744
Base-Backbone interact. energy: -0.000
local terms energy: -18.498372
where:
bonds (distance) C4'-P energy: -3.169
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -3.972
flat angles P-C4'-P energy: -2.021
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: 10
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -30.922187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.922187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.922187 (E_RNA)
where:
Base-Base interactions energy: -10.895
where: short stacking energy: -10.895
Base-Backbone interact. energy: 0.573
local terms energy: -20.600452
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.849
flat angles P-C4'-P energy: -3.226
tors. eta vs tors. theta energy: -4.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -29.663066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.663066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.663066 (E_RNA)
where:
Base-Base interactions energy: -12.038
where: short stacking energy: -12.038
Base-Backbone interact. energy: -0.047
local terms energy: -17.577869
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.693
flat angles P-C4'-P energy: -3.085
tors. eta vs tors. theta energy: -1.846
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: 3
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -29.196738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.196738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.196738 (E_RNA)
where:
Base-Base interactions energy: -12.288
where: short stacking energy: -10.793
Base-Backbone interact. energy: -0.002
local terms energy: -16.906433
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -1.790
flat angles P-C4'-P energy: -2.469
tors. eta vs tors. theta energy: -3.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -25.396086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.396086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.396086 (E_RNA)
where:
Base-Base interactions energy: -5.801
where: short stacking energy: -5.801
Base-Backbone interact. energy: -0.001
local terms energy: -19.594312
where:
bonds (distance) C4'-P energy: -4.303
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.398
flat angles P-C4'-P energy: -2.839
tors. eta vs tors. theta energy: -2.936
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: 1, replica: 2
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -37.142820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.142820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.142820 (E_RNA)
where:
Base-Base interactions energy: -20.579
where: short stacking energy: -10.894
Base-Backbone interact. energy: -0.001
local terms energy: -16.562602
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -4.320
flat angles P-C4'-P energy: -2.961
tors. eta vs tors. theta energy: 0.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -36.980114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.980114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.980114 (E_RNA)
where:
Base-Base interactions energy: -19.198
where: short stacking energy: -12.161
Base-Backbone interact. energy: -0.001
local terms energy: -17.781713
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.659
flat angles P-C4'-P energy: -3.712
tors. eta vs tors. theta energy: -0.017
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: 3, replica: 4
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -33.598915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.598915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.598915 (E_RNA)
where:
Base-Base interactions energy: -14.574
where: short stacking energy: -12.237
Base-Backbone interact. energy: -1.109
local terms energy: -17.915390
where:
bonds (distance) C4'-P energy: -4.535
bonds (distance) P-C4' energy: -4.603
flat angles C4'-P-C4' energy: -3.663
flat angles P-C4'-P energy: -2.438
tors. eta vs tors. theta energy: -2.676
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: 4, replica: 8
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -29.601932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.601932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.601932 (E_RNA)
where:
Base-Base interactions energy: -10.144
where: short stacking energy: -10.144
Base-Backbone interact. energy: -0.000
local terms energy: -19.458150
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -3.329
flat angles C4'-P-C4' energy: -3.943
flat angles P-C4'-P energy: -2.568
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: 5, replica: 5
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -31.069241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.069241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.069241 (E_RNA)
where:
Base-Base interactions energy: -11.764
where: short stacking energy: -11.764
Base-Backbone interact. energy: -0.000
local terms energy: -19.305441
where:
bonds (distance) C4'-P energy: -3.815
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.095
flat angles P-C4'-P energy: -2.973
tors. eta vs tors. theta energy: -3.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -30.668318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.668318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.668318 (E_RNA)
where:
Base-Base interactions energy: -13.721
where: short stacking energy: -13.552
Base-Backbone interact. energy: -0.087
local terms energy: -16.860390
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.406
flat angles C4'-P-C4' energy: -3.938
flat angles P-C4'-P energy: -2.163
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: 7, replica: 9
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -23.420968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.420968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.420968 (E_RNA)
where:
Base-Base interactions energy: -7.907
where: short stacking energy: -7.907
Base-Backbone interact. energy: -0.001
local terms energy: -15.512282
where:
bonds (distance) C4'-P energy: -4.154
bonds (distance) P-C4' energy: -3.818
flat angles C4'-P-C4' energy: -4.736
flat angles P-C4'-P energy: -2.296
tors. eta vs tors. theta energy: -0.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -25.789708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.789708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.789708 (E_RNA)
where:
Base-Base interactions energy: -9.728
where: short stacking energy: -9.728
Base-Backbone interact. energy: -0.000
local terms energy: -16.061313
where:
bonds (distance) C4'-P energy: -3.645
bonds (distance) P-C4' energy: -3.659
flat angles C4'-P-C4' energy: -3.137
flat angles P-C4'-P energy: -2.542
tors. eta vs tors. theta energy: -3.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -26.590061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.590061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.590061 (E_RNA)
where:
Base-Base interactions energy: -10.131
where: short stacking energy: -10.131
Base-Backbone interact. energy: -0.000
local terms energy: -16.458851
where:
bonds (distance) C4'-P energy: -2.846
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -3.331
flat angles P-C4'-P energy: -2.706
tors. eta vs tors. theta energy: -2.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -24.564099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.564099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.564099 (E_RNA)
where:
Base-Base interactions energy: -8.298
where: short stacking energy: -8.298
Base-Backbone interact. energy: -0.000
local terms energy: -16.265442
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.695
flat angles P-C4'-P energy: -2.484
tors. eta vs tors. theta energy: -0.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -37.479975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.479975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.479975 (E_RNA)
where:
Base-Base interactions energy: -20.670
where: short stacking energy: -11.986
Base-Backbone interact. energy: -0.005
local terms energy: -16.805201
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -3.412
flat angles P-C4'-P energy: -1.847
tors. eta vs tors. theta energy: -2.152
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: 6
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -35.153074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.153074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.153074 (E_RNA)
where:
Base-Base interactions energy: -15.695
where: short stacking energy: -15.695
Base-Backbone interact. energy: -0.000
local terms energy: -19.457697
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -4.569
flat angles C4'-P-C4' energy: -3.620
flat angles P-C4'-P energy: -2.814
tors. eta vs tors. theta energy: -4.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -31.161487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.161487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.161487 (E_RNA)
where:
Base-Base interactions energy: -13.505
where: short stacking energy: -8.343
Base-Backbone interact. energy: -0.002
local terms energy: -17.654181
where:
bonds (distance) C4'-P energy: -4.634
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.908
flat angles P-C4'-P energy: -3.100
tors. eta vs tors. theta energy: -0.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -32.046046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.046046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.046046 (E_RNA)
where:
Base-Base interactions energy: -11.868
where: short stacking energy: -11.868
Base-Backbone interact. energy: -0.000
local terms energy: -20.177961
where:
bonds (distance) C4'-P energy: -3.923
bonds (distance) P-C4' energy: -4.653
flat angles C4'-P-C4' energy: -3.724
flat angles P-C4'-P energy: -3.673
tors. eta vs tors. theta energy: -4.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -31.354007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.354007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.354007 (E_RNA)
where:
Base-Base interactions energy: -15.173
where: short stacking energy: -15.173
Base-Backbone interact. energy: -0.000
local terms energy: -16.180757
where:
bonds (distance) C4'-P energy: -3.861
bonds (distance) P-C4' energy: -4.674
flat angles C4'-P-C4' energy: -4.360
flat angles P-C4'-P energy: 0.131
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: 6, replica: 9
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -26.692790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.692790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.692790 (E_RNA)
where:
Base-Base interactions energy: -8.474
where: short stacking energy: -8.474
Base-Backbone interact. energy: -0.000
local terms energy: -18.219194
where:
bonds (distance) C4'-P energy: -3.372
bonds (distance) P-C4' energy: -4.410
flat angles C4'-P-C4' energy: -3.640
flat angles P-C4'-P energy: -3.624
tors. eta vs tors. theta energy: -3.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -22.617451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.617451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.617451 (E_RNA)
where:
Base-Base interactions energy: -7.029
where: short stacking energy: -7.029
Base-Backbone interact. energy: -0.000
local terms energy: -15.588658
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -3.815
flat angles C4'-P-C4' energy: -3.606
flat angles P-C4'-P energy: -2.095
tors. eta vs tors. theta energy: -1.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -22.729082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.729082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.729082 (E_RNA)
where:
Base-Base interactions energy: -8.153
where: short stacking energy: -8.153
Base-Backbone interact. energy: -0.001
local terms energy: -14.574539
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -4.360
flat angles P-C4'-P energy: 0.139
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: 9, replica: 10
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -28.226527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.226527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.226527 (E_RNA)
where:
Base-Base interactions energy: -10.331
where: short stacking energy: -10.331
Base-Backbone interact. energy: -0.000
local terms energy: -17.895280
where:
bonds (distance) C4'-P energy: -3.923
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -3.850
flat angles P-C4'-P energy: -2.988
tors. eta vs tors. theta energy: -2.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -29.347906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.347906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.347906 (E_RNA)
where:
Base-Base interactions energy: -11.768
where: short stacking energy: -11.768
Base-Backbone interact. energy: -0.003
local terms energy: -17.577272
where:
bonds (distance) C4'-P energy: -4.038
bonds (distance) P-C4' energy: -4.624
flat angles C4'-P-C4' energy: -1.086
flat angles P-C4'-P energy: -2.737
tors. eta vs tors. theta energy: -5.092
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: 1, replica: 6
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -36.691224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.691224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.691224 (E_RNA)
where:
Base-Base interactions energy: -16.862
where: short stacking energy: -16.862
Base-Backbone interact. energy: -0.000
local terms energy: -19.829511
where:
bonds (distance) C4'-P energy: -3.558
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -4.767
flat angles P-C4'-P energy: -2.659
tors. eta vs tors. theta energy: -3.964
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: 2, replica: 2
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -36.284629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.284629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.284629 (E_RNA)
where:
Base-Base interactions energy: -15.409
where: short stacking energy: -15.409
Base-Backbone interact. energy: -0.000
local terms energy: -20.875538
where:
bonds (distance) C4'-P energy: -3.745
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -3.877
flat angles P-C4'-P energy: -3.306
tors. eta vs tors. theta energy: -4.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -33.855647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.855647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.855647 (E_RNA)
where:
Base-Base interactions energy: -17.219
where: short stacking energy: -7.797
Base-Backbone interact. energy: 0.386
local terms energy: -17.022753
where:
bonds (distance) C4'-P energy: -1.969
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -4.736
flat angles P-C4'-P energy: -3.631
tors. eta vs tors. theta energy: -2.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -33.111837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.111837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.111837 (E_RNA)
where:
Base-Base interactions energy: -15.094
where: short stacking energy: -15.094
Base-Backbone interact. energy: -0.000
local terms energy: -18.017579
where:
bonds (distance) C4'-P energy: -3.273
bonds (distance) P-C4' energy: -3.128
flat angles C4'-P-C4' energy: -3.875
flat angles P-C4'-P energy: -2.916
tors. eta vs tors. theta energy: -4.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -30.797262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.797262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.797262 (E_RNA)
where:
Base-Base interactions energy: -14.428
where: short stacking energy: -14.428
Base-Backbone interact. energy: -0.000
local terms energy: -16.369420
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -3.560
flat angles C4'-P-C4' energy: -1.393
flat angles P-C4'-P energy: -2.481
tors. eta vs tors. theta energy: -4.524
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: 5
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -27.162536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.162536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.162536 (E_RNA)
where:
Base-Base interactions energy: -12.088
where: short stacking energy: -12.088
Base-Backbone interact. energy: -0.000
local terms energy: -15.074234
where:
bonds (distance) C4'-P energy: -2.233
bonds (distance) P-C4' energy: -4.406
flat angles C4'-P-C4' energy: -3.359
flat angles P-C4'-P energy: -2.893
tors. eta vs tors. theta energy: -2.183
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: 7
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -27.331399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.331399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.331399 (E_RNA)
where:
Base-Base interactions energy: -10.355
where: short stacking energy: -10.355
Base-Backbone interact. energy: -0.000
local terms energy: -16.976294
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.525
flat angles P-C4'-P energy: 0.144
tors. eta vs tors. theta energy: -3.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -24.983892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.983892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.983892 (E_RNA)
where:
Base-Base interactions energy: -7.721
where: short stacking energy: -7.721
Base-Backbone interact. energy: -0.091
local terms energy: -17.171557
where:
bonds (distance) C4'-P energy: -3.053
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -3.130
flat angles P-C4'-P energy: -3.223
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: 9, replica: 3
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -26.083994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.083994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.083994 (E_RNA)
where:
Base-Base interactions energy: -10.261
where: short stacking energy: -10.261
Base-Backbone interact. energy: -0.000
local terms energy: -15.822759
where:
bonds (distance) C4'-P energy: -3.637
bonds (distance) P-C4' energy: -3.131
flat angles C4'-P-C4' energy: -4.082
flat angles P-C4'-P energy: -2.222
tors. eta vs tors. theta energy: -2.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -23.994617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.994617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.994617 (E_RNA)
where:
Base-Base interactions energy: -5.223
where: short stacking energy: -5.223
Base-Backbone interact. energy: 0.099
local terms energy: -18.870502
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -4.871
flat angles C4'-P-C4' energy: -3.883
flat angles P-C4'-P energy: -3.399
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: 1, replica: 6
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -39.873786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.873786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.873786 (E_RNA)
where:
Base-Base interactions energy: -22.109
where: short stacking energy: -12.007
Base-Backbone interact. energy: -0.001
local terms energy: -17.763065
where:
bonds (distance) C4'-P energy: -3.012
bonds (distance) P-C4' energy: -4.832
flat angles C4'-P-C4' energy: -4.030
flat angles P-C4'-P energy: -3.884
tors. eta vs tors. theta energy: -2.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -32.881510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.881510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.881510 (E_RNA)
where:
Base-Base interactions energy: -13.163
where: short stacking energy: -13.163
Base-Backbone interact. energy: -0.000
local terms energy: -19.718364
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.813
flat angles P-C4'-P energy: -1.776
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: 3, replica: 2
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -34.959916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.959916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.959916 (E_RNA)
where:
Base-Base interactions energy: -12.971
where: short stacking energy: -12.971
Base-Backbone interact. energy: -0.000
local terms energy: -21.989030
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.280
flat angles P-C4'-P energy: -2.951
tors. eta vs tors. theta energy: -5.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -33.096286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.096286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.096286 (E_RNA)
where:
Base-Base interactions energy: -13.830
where: short stacking energy: -12.629
Base-Backbone interact. energy: -0.001
local terms energy: -19.265887
where:
bonds (distance) C4'-P energy: -4.154
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.290
flat angles P-C4'-P energy: -3.132
tors. eta vs tors. theta energy: -3.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -28.506584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.506584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.506584 (E_RNA)
where:
Base-Base interactions energy: -14.940
where: short stacking energy: -8.624
Base-Backbone interact. energy: -0.000
local terms energy: -13.566549
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.103
flat angles C4'-P-C4' energy: -1.040
flat angles P-C4'-P energy: -3.166
tors. eta vs tors. theta energy: -0.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -28.769231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.769231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.769231 (E_RNA)
where:
Base-Base interactions energy: -11.979
where: short stacking energy: -11.979
Base-Backbone interact. energy: -0.016
local terms energy: -16.774194
where:
bonds (distance) C4'-P energy: -4.419
bonds (distance) P-C4' energy: -4.628
flat angles C4'-P-C4' energy: -3.582
flat angles P-C4'-P energy: -2.578
tors. eta vs tors. theta energy: -1.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -31.698086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.698086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.698086 (E_RNA)
where:
Base-Base interactions energy: -12.101
where: short stacking energy: -12.101
Base-Backbone interact. energy: -0.000
local terms energy: -19.597390
where:
bonds (distance) C4'-P energy: -3.342
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.061
flat angles P-C4'-P energy: -2.300
tors. eta vs tors. theta energy: -4.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -27.139271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.139271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.139271 (E_RNA)
where:
Base-Base interactions energy: -10.778
where: short stacking energy: -10.778
Base-Backbone interact. energy: -0.000
local terms energy: -16.360820
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -4.167
flat angles P-C4'-P energy: -1.281
tors. eta vs tors. theta energy: -1.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -24.324104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.324104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.324104 (E_RNA)
where:
Base-Base interactions energy: -8.093
where: short stacking energy: -8.093
Base-Backbone interact. energy: -0.001
local terms energy: -16.230496
where:
bonds (distance) C4'-P energy: -4.009
bonds (distance) P-C4' energy: -3.360
flat angles C4'-P-C4' energy: -4.026
flat angles P-C4'-P energy: -3.125
tors. eta vs tors. theta energy: -1.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -20.657502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.657502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.657502 (E_RNA)
where:
Base-Base interactions energy: -4.735
where: short stacking energy: -4.735
Base-Backbone interact. energy: 0.253
local terms energy: -16.175881
where:
bonds (distance) C4'-P energy: -3.781
bonds (distance) P-C4' energy: -3.177
flat angles C4'-P-C4' energy: -4.371
flat angles P-C4'-P energy: -3.382
tors. eta vs tors. theta energy: -1.464
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: 1, replica: 4
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -37.920280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.920280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.920280 (E_RNA)
where:
Base-Base interactions energy: -16.452
where: short stacking energy: -16.452
Base-Backbone interact. energy: -0.000
local terms energy: -21.468336
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -4.061
flat angles P-C4'-P energy: -3.121
tors. eta vs tors. theta energy: -4.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -35.097662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.097662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.097662 (E_RNA)
where:
Base-Base interactions energy: -17.068
where: short stacking energy: -10.730
Base-Backbone interact. energy: -0.000
local terms energy: -18.029297
where:
bonds (distance) C4'-P energy: -3.008
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.309
flat angles P-C4'-P energy: -3.192
tors. eta vs tors. theta energy: -3.406
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: 30
Temperature: 1.000000
Total energy: -33.942383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.942383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.942383 (E_RNA)
where:
Base-Base interactions energy: -13.851
where: short stacking energy: -13.851
Base-Backbone interact. energy: -0.000
local terms energy: -20.091339
where:
bonds (distance) C4'-P energy: -4.643
bonds (distance) P-C4' energy: -3.165
flat angles C4'-P-C4' energy: -4.624
flat angles P-C4'-P energy: -3.729
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: 4, replica: 9
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -35.074405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.074405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.074405 (E_RNA)
where:
Base-Base interactions energy: -15.975
where: short stacking energy: -15.975
Base-Backbone interact. energy: -0.000
local terms energy: -19.099598
where:
bonds (distance) C4'-P energy: -3.947
bonds (distance) P-C4' energy: -3.582
flat angles C4'-P-C4' energy: -4.360
flat angles P-C4'-P energy: -2.148
tors. eta vs tors. theta energy: -5.063
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: 7
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -32.246807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.246807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.246807 (E_RNA)
where:
Base-Base interactions energy: -15.588
where: short stacking energy: -15.588
Base-Backbone interact. energy: -0.000
local terms energy: -16.658513
where:
bonds (distance) C4'-P energy: -3.372
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -2.515
flat angles P-C4'-P energy: -2.287
tors. eta vs tors. theta energy: -4.286
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: 8
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -28.885265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.885265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.885265 (E_RNA)
where:
Base-Base interactions energy: -10.386
where: short stacking energy: -10.386
Base-Backbone interact. energy: -0.000
local terms energy: -18.499559
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -4.628
flat angles C4'-P-C4' energy: -3.031
flat angles P-C4'-P energy: -3.950
tors. eta vs tors. theta energy: -2.907
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: 3
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -30.691957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.691957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.691957 (E_RNA)
where:
Base-Base interactions energy: -12.548
where: short stacking energy: -12.548
Base-Backbone interact. energy: -0.000
local terms energy: -18.143516
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -2.211
flat angles C4'-P-C4' energy: -3.707
flat angles P-C4'-P energy: -3.545
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: 8, replica: 5
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -24.027207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.027207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.027207 (E_RNA)
where:
Base-Base interactions energy: -10.523
where: short stacking energy: -10.523
Base-Backbone interact. energy: -0.090
local terms energy: -13.414483
where:
bonds (distance) C4'-P energy: -3.889
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -0.677
flat angles P-C4'-P energy: -2.124
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: 9, replica: 1
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -28.982394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.982394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.982394 (E_RNA)
where:
Base-Base interactions energy: -10.157
where: short stacking energy: -10.157
Base-Backbone interact. energy: -0.003
local terms energy: -18.822561
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -4.395
flat angles C4'-P-C4' energy: -4.816
flat angles P-C4'-P energy: -2.725
tors. eta vs tors. theta energy: -2.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -24.826289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.826289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.826289 (E_RNA)
where:
Base-Base interactions energy: -9.072
where: short stacking energy: -9.072
Base-Backbone interact. energy: -0.000
local terms energy: -15.754011
where:
bonds (distance) C4'-P energy: -3.977
bonds (distance) P-C4' energy: -4.314
flat angles C4'-P-C4' energy: -3.712
flat angles P-C4'-P energy: -1.833
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: 1, replica: 4
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -36.232253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.232253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.232253 (E_RNA)
where:
Base-Base interactions energy: -14.352
where: short stacking energy: -14.352
Base-Backbone interact. energy: -0.000
local terms energy: -21.880022
where:
bonds (distance) C4'-P energy: -3.923
bonds (distance) P-C4' energy: -4.603
flat angles C4'-P-C4' energy: -4.383
flat angles P-C4'-P energy: -3.692
tors. eta vs tors. theta energy: -5.279
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: 2
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -34.693758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.693758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.693758 (E_RNA)
where:
Base-Base interactions energy: -13.487
where: short stacking energy: -13.487
Base-Backbone interact. energy: -0.000
local terms energy: -21.206716
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.455
flat angles P-C4'-P energy: -3.976
tors. eta vs tors. theta energy: -3.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -30.506479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.506479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.506479 (E_RNA)
where:
Base-Base interactions energy: -13.073
where: short stacking energy: -12.166
Base-Backbone interact. energy: -0.000
local terms energy: -17.433276
where:
bonds (distance) C4'-P energy: -3.861
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.323
flat angles P-C4'-P energy: -2.064
tors. eta vs tors. theta energy: -3.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -30.176982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.176982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.176982 (E_RNA)
where:
Base-Base interactions energy: -9.769
where: short stacking energy: -9.769
Base-Backbone interact. energy: -0.000
local terms energy: -20.408188
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -4.055
flat angles P-C4'-P energy: -3.574
tors. eta vs tors. theta energy: -3.145
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: 7
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -35.251031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.251031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.251031 (E_RNA)
where:
Base-Base interactions energy: -17.237
where: short stacking energy: -17.237
Base-Backbone interact. energy: -0.000
local terms energy: -18.014178
where:
bonds (distance) C4'-P energy: -1.198
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.555
flat angles P-C4'-P energy: -2.704
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: 6, replica: 3
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -26.213724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.213724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.213724 (E_RNA)
where:
Base-Base interactions energy: -8.806
where: short stacking energy: -8.806
Base-Backbone interact. energy: -0.000
local terms energy: -17.407967
where:
bonds (distance) C4'-P energy: -3.061
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.225
flat angles P-C4'-P energy: -2.477
tors. eta vs tors. theta energy: -2.784
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: 8
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -30.607972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.607972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.607972 (E_RNA)
where:
Base-Base interactions energy: -12.111
where: short stacking energy: -12.111
Base-Backbone interact. energy: -0.000
local terms energy: -18.497428
where:
bonds (distance) C4'-P energy: -1.604
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -4.223
flat angles P-C4'-P energy: -3.765
tors. eta vs tors. theta energy: -4.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -31.948100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.948100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.948100 (E_RNA)
where:
Base-Base interactions energy: -14.726
where: short stacking energy: -14.726
Base-Backbone interact. energy: -0.000
local terms energy: -17.222280
where:
bonds (distance) C4'-P energy: -3.745
bonds (distance) P-C4' energy: -3.360
flat angles C4'-P-C4' energy: -4.662
flat angles P-C4'-P energy: -1.398
tors. eta vs tors. theta energy: -4.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -29.948477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.948477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.948477 (E_RNA)
where:
Base-Base interactions energy: -8.982
where: short stacking energy: -8.982
Base-Backbone interact. energy: -0.000
local terms energy: -20.966543
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.979
flat angles P-C4'-P energy: -3.070
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: 10, replica: 10
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -29.554576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.554576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.554576 (E_RNA)
where:
Base-Base interactions energy: -13.565
where: short stacking energy: -13.565
Base-Backbone interact. energy: -0.000
local terms energy: -15.988868
where:
bonds (distance) C4'-P energy: -3.309
bonds (distance) P-C4' energy: -2.419
flat angles C4'-P-C4' energy: -3.292
flat angles P-C4'-P energy: -2.286
tors. eta vs tors. theta energy: -4.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -38.050423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.050423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.050423 (E_RNA)
where:
Base-Base interactions energy: -15.503
where: short stacking energy: -15.503
Base-Backbone interact. energy: -0.000
local terms energy: -22.546984
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -4.678
flat angles P-C4'-P energy: -3.748
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: 2, replica: 4
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -30.002317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.002317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.002317 (E_RNA)
where:
Base-Base interactions energy: -12.145
where: short stacking energy: -12.145
Base-Backbone interact. energy: -0.000
local terms energy: -17.857181
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -3.825
flat angles C4'-P-C4' energy: -4.144
flat angles P-C4'-P energy: -1.959
tors. eta vs tors. theta energy: -3.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -29.986986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.986986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.986986 (E_RNA)
where:
Base-Base interactions energy: -12.917
where: short stacking energy: -12.917
Base-Backbone interact. energy: -0.000
local terms energy: -17.069488
where:
bonds (distance) C4'-P energy: -3.264
bonds (distance) P-C4' energy: -4.410
flat angles C4'-P-C4' energy: -4.294
flat angles P-C4'-P energy: -2.986
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: 4, replica: 6
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -29.410542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.410542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.410542 (E_RNA)
where:
Base-Base interactions energy: -12.112
where: short stacking energy: -9.418
Base-Backbone interact. energy: -0.001
local terms energy: -17.297648
where:
bonds (distance) C4'-P energy: -4.419
bonds (distance) P-C4' energy: -3.656
flat angles C4'-P-C4' energy: -4.713
flat angles P-C4'-P energy: -0.934
tors. eta vs tors. theta energy: -3.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -27.326911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.326911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.326911 (E_RNA)
where:
Base-Base interactions energy: -9.393
where: short stacking energy: -9.393
Base-Backbone interact. energy: -0.000
local terms energy: -17.933947
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.280
flat angles P-C4'-P energy: -3.079
tors. eta vs tors. theta energy: -1.163
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: 7
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -28.135810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.135810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.135810 (E_RNA)
where:
Base-Base interactions energy: -17.072
where: short stacking energy: -8.197
Base-Backbone interact. energy: -0.009
local terms energy: -11.054952
where:
bonds (distance) C4'-P energy: -2.130
bonds (distance) P-C4' energy: -4.649
flat angles C4'-P-C4' energy: -3.887
flat angles P-C4'-P energy: -1.910
tors. eta vs tors. theta energy: 1.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -27.452959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.452959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.452959 (E_RNA)
where:
Base-Base interactions energy: -9.565
where: short stacking energy: -9.565
Base-Backbone interact. energy: -0.000
local terms energy: -17.887723
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.511
flat angles P-C4'-P energy: -3.440
tors. eta vs tors. theta energy: -2.178
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: 8, replica: 8
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -24.840180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.840180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.840180 (E_RNA)
where:
Base-Base interactions energy: -7.151
where: short stacking energy: -7.151
Base-Backbone interact. energy: -0.000
local terms energy: -17.688933
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.609
flat angles P-C4'-P energy: -2.351
tors. eta vs tors. theta energy: -1.713
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: 9, replica: 10
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -30.600449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.600449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.600449 (E_RNA)
where:
Base-Base interactions energy: -12.836
where: short stacking energy: -12.836
Base-Backbone interact. energy: -0.000
local terms energy: -17.764917
where:
bonds (distance) C4'-P energy: -4.055
bonds (distance) P-C4' energy: -3.490
flat angles C4'-P-C4' energy: -3.306
flat angles P-C4'-P energy: -2.022
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: 5
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -26.657309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.657309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.657309 (E_RNA)
where:
Base-Base interactions energy: -12.117
where: short stacking energy: -12.117
Base-Backbone interact. energy: -0.000
local terms energy: -14.539856
where:
bonds (distance) C4'-P energy: -3.421
bonds (distance) P-C4' energy: -3.582
flat angles C4'-P-C4' energy: -3.571
flat angles P-C4'-P energy: -1.567
tors. eta vs tors. theta energy: -2.399
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: 2
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -35.144874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.144874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.144874 (E_RNA)
where:
Base-Base interactions energy: -17.597
where: short stacking energy: -8.942
Base-Backbone interact. energy: -0.000
local terms energy: -17.547884
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -4.078
flat angles C4'-P-C4' energy: -4.025
flat angles P-C4'-P energy: -3.404
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: 2, replica: 9
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -38.010340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.010340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.010340 (E_RNA)
where:
Base-Base interactions energy: -18.720
where: short stacking energy: -18.720
Base-Backbone interact. energy: -0.000
local terms energy: -19.290673
where:
bonds (distance) C4'-P energy: -2.983
bonds (distance) P-C4' energy: -3.659
flat angles C4'-P-C4' energy: -4.557
flat angles P-C4'-P energy: -3.404
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: 3, replica: 4
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -32.922261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.922261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.922261 (E_RNA)
where:
Base-Base interactions energy: -16.234
where: short stacking energy: -16.234
Base-Backbone interact. energy: -0.009
local terms energy: -16.679458
where:
bonds (distance) C4'-P energy: -3.036
bonds (distance) P-C4' energy: -4.106
flat angles C4'-P-C4' energy: -4.472
flat angles P-C4'-P energy: -3.008
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: 4, replica: 3
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -33.461894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.461894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.461894 (E_RNA)
where:
Base-Base interactions energy: -13.687
where: short stacking energy: -13.687
Base-Backbone interact. energy: -0.000
local terms energy: -19.774580
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -3.474
flat angles P-C4'-P energy: -3.251
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: 5, replica: 6
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -31.214270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.214270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.214270 (E_RNA)
where:
Base-Base interactions energy: -13.334
where: short stacking energy: -13.334
Base-Backbone interact. energy: -0.000
local terms energy: -17.879473
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -3.582
flat angles C4'-P-C4' energy: -3.032
flat angles P-C4'-P energy: -3.881
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: 6, replica: 7
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -27.194126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.194126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.194126 (E_RNA)
where:
Base-Base interactions energy: -8.596
where: short stacking energy: -8.596
Base-Backbone interact. energy: -0.090
local terms energy: -18.508188
where:
bonds (distance) C4'-P energy: -3.699
bonds (distance) P-C4' energy: -4.395
flat angles C4'-P-C4' energy: -3.250
flat angles P-C4'-P energy: -3.758
tors. eta vs tors. theta energy: -3.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -35.352705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.352705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.352705 (E_RNA)
where:
Base-Base interactions energy: -16.379
where: short stacking energy: -16.379
Base-Backbone interact. energy: -0.000
local terms energy: -18.973767
where:
bonds (distance) C4'-P energy: -4.154
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -3.454
flat angles P-C4'-P energy: -2.791
tors. eta vs tors. theta energy: -3.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -27.158743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.158743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.158743 (E_RNA)
where:
Base-Base interactions energy: -10.816
where: short stacking energy: -10.816
Base-Backbone interact. energy: -0.000
local terms energy: -16.342407
where:
bonds (distance) C4'-P energy: -4.038
bonds (distance) P-C4' energy: -4.600
flat angles C4'-P-C4' energy: -3.803
flat angles P-C4'-P energy: -2.535
tors. eta vs tors. theta energy: -1.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -28.135342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.135342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.135342 (E_RNA)
where:
Base-Base interactions energy: -11.522
where: short stacking energy: -11.522
Base-Backbone interact. energy: -0.029
local terms energy: -16.584522
where:
bonds (distance) C4'-P energy: -2.820
bonds (distance) P-C4' energy: -4.343
flat angles C4'-P-C4' energy: -3.862
flat angles P-C4'-P energy: -3.036
tors. eta vs tors. theta energy: -2.523
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: 33
Temperature: 1.350000
Total energy: -24.991319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.991319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.991319 (E_RNA)
where:
Base-Base interactions energy: -8.329
where: short stacking energy: -8.329
Base-Backbone interact. energy: -0.000
local terms energy: -16.662410
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -3.555
flat angles C4'-P-C4' energy: -3.953
flat angles P-C4'-P energy: -1.838
tors. eta vs tors. theta energy: -2.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -33.025431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.025431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.025431 (E_RNA)
where:
Base-Base interactions energy: -11.656
where: short stacking energy: -11.656
Base-Backbone interact. energy: -0.000
local terms energy: -21.369377
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.435
flat angles P-C4'-P energy: -2.597
tors. eta vs tors. theta energy: -5.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -29.544036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.544036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.544036 (E_RNA)
where:
Base-Base interactions energy: -13.493
where: short stacking energy: -13.493
Base-Backbone interact. energy: -0.000
local terms energy: -16.050971
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -3.370
flat angles C4'-P-C4' energy: -3.043
flat angles P-C4'-P energy: -2.816
tors. eta vs tors. theta energy: -2.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -34.151036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.151036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.151036 (E_RNA)
where:
Base-Base interactions energy: -15.517
where: short stacking energy: -15.517
Base-Backbone interact. energy: -0.000
local terms energy: -18.633550
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.603
flat angles C4'-P-C4' energy: -3.104
flat angles P-C4'-P energy: -3.095
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: 4, replica: 4
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -27.166336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.166336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.166336 (E_RNA)
where:
Base-Base interactions energy: -10.702
where: short stacking energy: -10.702
Base-Backbone interact. energy: -0.000
local terms energy: -16.464536
where:
bonds (distance) C4'-P energy: -3.479
bonds (distance) P-C4' energy: -4.656
flat angles C4'-P-C4' energy: -3.552
flat angles P-C4'-P energy: -2.554
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: 5, replica: 7
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -30.049662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.049662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.049662 (E_RNA)
where:
Base-Base interactions energy: -10.333
where: short stacking energy: -10.333
Base-Backbone interact. energy: -0.000
local terms energy: -19.716345
where:
bonds (distance) C4'-P energy: -2.759
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -3.707
flat angles P-C4'-P energy: -3.092
tors. eta vs tors. theta energy: -5.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -27.019781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.019781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.019781 (E_RNA)
where:
Base-Base interactions energy: -7.455
where: short stacking energy: -7.455
Base-Backbone interact. energy: -0.000
local terms energy: -19.564922
where:
bonds (distance) C4'-P energy: -4.419
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.295
flat angles P-C4'-P energy: -3.969
tors. eta vs tors. theta energy: -1.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -27.723567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.723567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.723567 (E_RNA)
where:
Base-Base interactions energy: -8.639
where: short stacking energy: -8.639
Base-Backbone interact. energy: -0.000
local terms energy: -19.084536
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.842
flat angles P-C4'-P energy: -2.425
tors. eta vs tors. theta energy: -3.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -29.710777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.710777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.710777 (E_RNA)
where:
Base-Base interactions energy: -12.306
where: short stacking energy: -12.306
Base-Backbone interact. energy: -0.000
local terms energy: -17.404707
where:
bonds (distance) C4'-P energy: -4.419
bonds (distance) P-C4' energy: -3.296
flat angles C4'-P-C4' energy: -3.397
flat angles P-C4'-P energy: -2.995
tors. eta vs tors. theta energy: -3.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -27.140886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.140886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.140886 (E_RNA)
where:
Base-Base interactions energy: -10.588
where: short stacking energy: -10.588
Base-Backbone interact. energy: -0.000
local terms energy: -16.552331
where:
bonds (distance) C4'-P energy: -1.827
bonds (distance) P-C4' energy: -4.578
flat angles C4'-P-C4' energy: -4.360
flat angles P-C4'-P energy: -3.303
tors. eta vs tors. theta energy: -2.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -27.886323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.886323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.886323 (E_RNA)
where:
Base-Base interactions energy: -8.455
where: short stacking energy: -8.455
Base-Backbone interact. energy: -0.012
local terms energy: -19.419093
where:
bonds (distance) C4'-P energy: -4.634
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -3.794
flat angles P-C4'-P energy: -3.473
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: 9
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -34.455024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.455024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.455024 (E_RNA)
where:
Base-Base interactions energy: -14.181
where: short stacking energy: -14.181
Base-Backbone interact. energy: -0.031
local terms energy: -20.242680
where:
bonds (distance) C4'-P energy: -3.861
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -3.941
flat angles P-C4'-P energy: -3.843
tors. eta vs tors. theta energy: -3.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -37.083939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.083939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.083939 (E_RNA)
where:
Base-Base interactions energy: -16.564
where: short stacking energy: -16.564
Base-Backbone interact. energy: -0.000
local terms energy: -20.519750
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -5.128
flat angles C4'-P-C4' energy: -3.856
flat angles P-C4'-P energy: -3.221
tors. eta vs tors. theta energy: -3.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -38.086659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.086659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.086659 (E_RNA)
where:
Base-Base interactions energy: -17.721
where: short stacking energy: -17.721
Base-Backbone interact. energy: -0.000
local terms energy: -20.366109
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -4.569
flat angles C4'-P-C4' energy: -4.544
flat angles P-C4'-P energy: -3.433
tors. eta vs tors. theta energy: -4.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -25.332890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.332890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.332890 (E_RNA)
where:
Base-Base interactions energy: -10.628
where: short stacking energy: -10.628
Base-Backbone interact. energy: -0.001
local terms energy: -14.704379
where:
bonds (distance) C4'-P energy: -3.301
bonds (distance) P-C4' energy: -3.796
flat angles C4'-P-C4' energy: -1.626
flat angles P-C4'-P energy: -0.962
tors. eta vs tors. theta energy: -5.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -31.237620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.237620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.237620 (E_RNA)
where:
Base-Base interactions energy: -11.488
where: short stacking energy: -11.488
Base-Backbone interact. energy: -0.000
local terms energy: -19.749541
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.826
flat angles P-C4'-P energy: -2.782
tors. eta vs tors. theta energy: -3.377
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: 10
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -27.163823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.163823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.163823 (E_RNA)
where:
Base-Base interactions energy: -8.537
where: short stacking energy: -8.537
Base-Backbone interact. energy: -0.011
local terms energy: -18.616199
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.618
flat angles P-C4'-P energy: -2.966
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: 7, replica: 6
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -26.449161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.449161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.449161 (E_RNA)
where:
Base-Base interactions energy: -8.753
where: short stacking energy: -8.753
Base-Backbone interact. energy: -0.037
local terms energy: -17.659322
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.177
flat angles C4'-P-C4' energy: -4.364
flat angles P-C4'-P energy: -3.348
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: 8, replica: 5
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -25.090060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.090060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.090060 (E_RNA)
where:
Base-Base interactions energy: -8.671
where: short stacking energy: -8.671
Base-Backbone interact. energy: -0.002
local terms energy: -16.417044
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.870
flat angles P-C4'-P energy: -3.254
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: 9, replica: 1
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -36.632397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.632397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.632397 (E_RNA)
where:
Base-Base interactions energy: -17.309
where: short stacking energy: -17.309
Base-Backbone interact. energy: -0.000
local terms energy: -19.323552
where:
bonds (distance) C4'-P energy: -4.038
bonds (distance) P-C4' energy: -4.416
flat angles C4'-P-C4' energy: -3.444
flat angles P-C4'-P energy: -3.678
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: 10, replica: 8
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -28.149833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.149833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.149833 (E_RNA)
where:
Base-Base interactions energy: -8.705
where: short stacking energy: -8.705
Base-Backbone interact. energy: -0.000
local terms energy: -19.445146
where:
bonds (distance) C4'-P energy: -3.923
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -3.495
flat angles P-C4'-P energy: -3.310
tors. eta vs tors. theta energy: -3.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -32.742386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.742386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.742386 (E_RNA)
where:
Base-Base interactions energy: -14.203
where: short stacking energy: -14.203
Base-Backbone interact. energy: -0.000
local terms energy: -18.539321
where:
bonds (distance) C4'-P energy: -4.038
bonds (distance) P-C4' energy: -3.751
flat angles C4'-P-C4' energy: -4.168
flat angles P-C4'-P energy: -3.633
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: 2, replica: 9
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -38.941694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.941694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.941694 (E_RNA)
where:
Base-Base interactions energy: -16.949
where: short stacking energy: -16.949
Base-Backbone interact. energy: -0.000
local terms energy: -21.992847
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.628
flat angles C4'-P-C4' energy: -4.255
flat angles P-C4'-P energy: -3.802
tors. eta vs tors. theta energy: -4.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -37.533560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.533560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.533560 (E_RNA)
where:
Base-Base interactions energy: -17.567
where: short stacking energy: -17.567
Base-Backbone interact. energy: -0.000
local terms energy: -19.966806
where:
bonds (distance) C4'-P energy: -3.923
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -4.014
flat angles P-C4'-P energy: -2.122
tors. eta vs tors. theta energy: -4.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -28.338880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.338880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.338880 (E_RNA)
where:
Base-Base interactions energy: -11.979
where: short stacking energy: -11.979
Base-Backbone interact. energy: -0.000
local terms energy: -16.359940
where:
bonds (distance) C4'-P energy: -3.574
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -4.340
flat angles P-C4'-P energy: -3.385
tors. eta vs tors. theta energy: -0.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -32.093689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.093689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.093689 (E_RNA)
where:
Base-Base interactions energy: -14.576
where: short stacking energy: -11.766
Base-Backbone interact. energy: -0.000
local terms energy: -17.517960
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -3.553
flat angles C4'-P-C4' energy: -3.661
flat angles P-C4'-P energy: -3.650
tors. eta vs tors. theta energy: -2.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -26.932657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.932657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.932657 (E_RNA)
where:
Base-Base interactions energy: -11.064
where: short stacking energy: -11.064
Base-Backbone interact. energy: -0.020
local terms energy: -15.849062
where:
bonds (distance) C4'-P energy: -3.487
bonds (distance) P-C4' energy: -3.128
flat angles C4'-P-C4' energy: -4.013
flat angles P-C4'-P energy: -3.357
tors. eta vs tors. theta energy: -1.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -30.512272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.512272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.512272 (E_RNA)
where:
Base-Base interactions energy: -11.770
where: short stacking energy: -11.770
Base-Backbone interact. energy: -0.000
local terms energy: -18.742364
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -3.786
flat angles C4'-P-C4' energy: -3.478
flat angles P-C4'-P energy: -3.872
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: 8, replica: 6
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -29.296862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.296862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.296862 (E_RNA)
where:
Base-Base interactions energy: -12.438
where: short stacking energy: -12.438
Base-Backbone interact. energy: -0.000
local terms energy: -16.859001
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -3.981
flat angles C4'-P-C4' energy: -4.038
flat angles P-C4'-P energy: -2.181
tors. eta vs tors. theta energy: -2.612
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: 8
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -24.445635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.445635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.445635 (E_RNA)
where:
Base-Base interactions energy: -8.649
where: short stacking energy: -8.139
Base-Backbone interact. energy: -0.000
local terms energy: -15.796301
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -2.220
flat angles C4'-P-C4' energy: -4.487
flat angles P-C4'-P energy: -2.705
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: 10, replica: 1
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -26.078516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.078516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.078516 (E_RNA)
where:
Base-Base interactions energy: -10.467
where: short stacking energy: -10.467
Base-Backbone interact. energy: -0.001
local terms energy: -15.611132
where:
bonds (distance) C4'-P energy: -4.419
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -1.388
flat angles P-C4'-P energy: -2.514
tors. eta vs tors. theta energy: -2.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -38.889067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.889067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.889067 (E_RNA)
where:
Base-Base interactions energy: -16.774
where: short stacking energy: -16.774
Base-Backbone interact. energy: -0.000
local terms energy: -22.114717
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.285
flat angles P-C4'-P energy: -3.666
tors. eta vs tors. theta energy: -4.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -34.410222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.410222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.410222 (E_RNA)
where:
Base-Base interactions energy: -14.604
where: short stacking energy: -14.604
Base-Backbone interact. energy: -0.000
local terms energy: -19.806528
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -3.726
flat angles C4'-P-C4' energy: -4.433
flat angles P-C4'-P energy: -2.001
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: 3, replica: 9
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -37.892066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.892066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.892066 (E_RNA)
where:
Base-Base interactions energy: -17.041
where: short stacking energy: -17.041
Base-Backbone interact. energy: -0.000
local terms energy: -20.851523
where:
bonds (distance) C4'-P energy: -4.163
bonds (distance) P-C4' energy: -4.339
flat angles C4'-P-C4' energy: -3.884
flat angles P-C4'-P energy: -3.273
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: 10
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -29.227928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.227928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.227928 (E_RNA)
where:
Base-Base interactions energy: -9.384
where: short stacking energy: -9.384
Base-Backbone interact. energy: -0.000
local terms energy: -19.844370
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.631
flat angles C4'-P-C4' energy: -3.974
flat angles P-C4'-P energy: -3.015
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: 5, replica: 7
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -27.627187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.627187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.627187 (E_RNA)
where:
Base-Base interactions energy: -12.603
where: short stacking energy: -12.603
Base-Backbone interact. energy: -0.000
local terms energy: -15.024344
where:
bonds (distance) C4'-P energy: -1.989
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.237
flat angles P-C4'-P energy: -1.694
tors. eta vs tors. theta energy: -1.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -28.464287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.464287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.464287 (E_RNA)
where:
Base-Base interactions energy: -12.574
where: short stacking energy: -12.574
Base-Backbone interact. energy: -0.000
local terms energy: -15.889902
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -4.104
flat angles P-C4'-P energy: -1.805
tors. eta vs tors. theta energy: -1.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -27.090214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.090214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.090214 (E_RNA)
where:
Base-Base interactions energy: -11.675
where: short stacking energy: -11.675
Base-Backbone interact. energy: -0.000
local terms energy: -15.415179
where:
bonds (distance) C4'-P energy: -3.939
bonds (distance) P-C4' energy: -4.177
flat angles C4'-P-C4' energy: -0.892
flat angles P-C4'-P energy: -2.772
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: 8, replica: 8
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -26.738634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.738634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.738634 (E_RNA)
where:
Base-Base interactions energy: -11.218
where: short stacking energy: -11.218
Base-Backbone interact. energy: 0.778
local terms energy: -16.297916
where:
bonds (distance) C4'-P energy: -4.038
bonds (distance) P-C4' energy: -3.385
flat angles C4'-P-C4' energy: -4.460
flat angles P-C4'-P energy: -2.294
tors. eta vs tors. theta energy: -2.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -25.912939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.912939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.912939 (E_RNA)
where:
Base-Base interactions energy: -7.707
where: short stacking energy: -7.707
Base-Backbone interact. energy: -0.000
local terms energy: -18.205659
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -4.521
flat angles P-C4'-P energy: -2.363
tors. eta vs tors. theta energy: -1.713
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: 10, replica: 1
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -24.104267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.104267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.104267 (E_RNA)
where:
Base-Base interactions energy: -5.462
where: short stacking energy: -5.462
Base-Backbone interact. energy: -0.001
local terms energy: -18.641298
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.344
flat angles P-C4'-P energy: -3.204
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: 1, replica: 2
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -38.049588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.049588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.049588 (E_RNA)
where:
Base-Base interactions energy: -17.350
where: short stacking energy: -17.350
Base-Backbone interact. energy: -0.000
local terms energy: -20.699462
where:
bonds (distance) C4'-P energy: -3.708
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -3.849
flat angles P-C4'-P energy: -3.168
tors. eta vs tors. theta energy: -5.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -29.901820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.901820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.901820 (E_RNA)
where:
Base-Base interactions energy: -11.154
where: short stacking energy: -11.154
Base-Backbone interact. energy: -0.000
local terms energy: -18.747717
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -3.748
flat angles P-C4'-P energy: -2.036
tors. eta vs tors. theta energy: -3.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -31.333764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.333764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.333764 (E_RNA)
where:
Base-Base interactions energy: -13.548
where: short stacking energy: -13.548
Base-Backbone interact. energy: -0.000
local terms energy: -17.786081
where:
bonds (distance) C4'-P energy: -3.708
bonds (distance) P-C4' energy: -3.845
flat angles C4'-P-C4' energy: -3.622
flat angles P-C4'-P energy: -2.961
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: 4, replica: 9
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -37.012154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.012154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.012154 (E_RNA)
where:
Base-Base interactions energy: -16.965
where: short stacking energy: -16.965
Base-Backbone interact. energy: -0.000
local terms energy: -20.047373
where:
bonds (distance) C4'-P energy: -3.040
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -4.470
flat angles P-C4'-P energy: -2.262
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: 5, replica: 4
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -31.892692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.892692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.892692 (E_RNA)
where:
Base-Base interactions energy: -11.793
where: short stacking energy: -11.793
Base-Backbone interact. energy: -0.000
local terms energy: -20.099832
where:
bonds (distance) C4'-P energy: -4.039
bonds (distance) P-C4' energy: -4.410
flat angles C4'-P-C4' energy: -4.080
flat angles P-C4'-P energy: -2.475
tors. eta vs tors. theta energy: -5.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -31.502174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.502174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.502174 (E_RNA)
where:
Base-Base interactions energy: -16.213
where: short stacking energy: -16.213
Base-Backbone interact. energy: -0.000
local terms energy: -15.289124
where:
bonds (distance) C4'-P energy: -3.053
bonds (distance) P-C4' energy: -3.364
flat angles C4'-P-C4' energy: -2.853
flat angles P-C4'-P energy: -2.192
tors. eta vs tors. theta energy: -3.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -27.327212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.327212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.327212 (E_RNA)
where:
Base-Base interactions energy: -8.910
where: short stacking energy: -8.910
Base-Backbone interact. energy: -0.002
local terms energy: -18.414947
where:
bonds (distance) C4'-P energy: -4.233
bonds (distance) P-C4' energy: -4.832
flat angles C4'-P-C4' energy: -4.149
flat angles P-C4'-P energy: -2.503
tors. eta vs tors. theta energy: -2.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -27.507011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.507011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.507011 (E_RNA)
where:
Base-Base interactions energy: -9.163
where: short stacking energy: -9.163
Base-Backbone interact. energy: -0.020
local terms energy: -18.324228
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -3.885
flat angles C4'-P-C4' energy: -4.097
flat angles P-C4'-P energy: -3.950
tors. eta vs tors. theta energy: -1.882
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: 1
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -26.121079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.121079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.121079 (E_RNA)
where:
Base-Base interactions energy: -12.215
where: short stacking energy: -2.938
Base-Backbone interact. energy: -0.005
local terms energy: -13.900881
where:
bonds (distance) C4'-P energy: -1.600
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.460
flat angles P-C4'-P energy: -2.871
tors. eta vs tors. theta energy: -0.619
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: 6
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -26.511638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.511638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.511638 (E_RNA)
where:
Base-Base interactions energy: -8.003
where: short stacking energy: -8.003
Base-Backbone interact. energy: -0.000
local terms energy: -18.508418
where:
bonds (distance) C4'-P energy: -3.939
bonds (distance) P-C4' energy: -4.047
flat angles C4'-P-C4' energy: -4.542
flat angles P-C4'-P energy: -2.672
tors. eta vs tors. theta energy: -3.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -35.700633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.700633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.700633 (E_RNA)
where:
Base-Base interactions energy: -16.027
where: short stacking energy: -16.027
Base-Backbone interact. energy: -0.000
local terms energy: -19.673684
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -2.711
flat angles P-C4'-P energy: -2.893
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: 2, replica: 10
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -33.462727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.462727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.462727 (E_RNA)
where:
Base-Base interactions energy: -14.446
where: short stacking energy: -14.446
Base-Backbone interact. energy: -0.014
local terms energy: -19.002370
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -4.464
flat angles P-C4'-P energy: -3.307
tors. eta vs tors. theta energy: -1.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -30.253745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.253745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.253745 (E_RNA)
where:
Base-Base interactions energy: -11.339
where: short stacking energy: -11.339
Base-Backbone interact. energy: -0.000
local terms energy: -18.914944
where:
bonds (distance) C4'-P energy: -4.154
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.647
flat angles P-C4'-P energy: -3.644
tors. eta vs tors. theta energy: -2.803
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: 4
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -31.465425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.465425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.465425 (E_RNA)
where:
Base-Base interactions energy: -15.798
where: short stacking energy: -15.798
Base-Backbone interact. energy: -0.000
local terms energy: -15.667436
where:
bonds (distance) C4'-P energy: -3.815
bonds (distance) P-C4' energy: -2.873
flat angles C4'-P-C4' energy: -3.433
flat angles P-C4'-P energy: -0.299
tors. eta vs tors. theta energy: -5.247
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: 9
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -27.932085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.932085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.932085 (E_RNA)
where:
Base-Base interactions energy: -9.156
where: short stacking energy: -9.156
Base-Backbone interact. energy: -0.001
local terms energy: -18.775664
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.479
flat angles P-C4'-P energy: -3.225
tors. eta vs tors. theta energy: -2.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -29.749526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.749526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.749526 (E_RNA)
where:
Base-Base interactions energy: -12.849
where: short stacking energy: -12.849
Base-Backbone interact. energy: -0.000
local terms energy: -16.900652
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.487
flat angles P-C4'-P energy: -2.980
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: 7, replica: 7
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -25.864196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.864196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.864196 (E_RNA)
where:
Base-Base interactions energy: -8.838
where: short stacking energy: -8.838
Base-Backbone interact. energy: -0.000
local terms energy: -17.026183
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -4.149
flat angles C4'-P-C4' energy: -4.034
flat angles P-C4'-P energy: -1.621
tors. eta vs tors. theta energy: -2.997
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: 39
Temperature: 1.250000
Total energy: -26.900465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.900465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.900465 (E_RNA)
where:
Base-Base interactions energy: -13.416
where: short stacking energy: -4.519
Base-Backbone interact. energy: -0.018
local terms energy: -13.466067
where:
bonds (distance) C4'-P energy: -3.372
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -2.644
flat angles P-C4'-P energy: -3.888
tors. eta vs tors. theta energy: 1.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -25.311159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.311159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.311159 (E_RNA)
where:
Base-Base interactions energy: -10.398
where: short stacking energy: -10.398
Base-Backbone interact. energy: -0.000
local terms energy: -14.912954
where:
bonds (distance) C4'-P energy: -3.053
bonds (distance) P-C4' energy: -4.180
flat angles C4'-P-C4' energy: -4.237
flat angles P-C4'-P energy: -1.573
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: 10, replica: 6
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -25.513785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.513785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.513785 (E_RNA)
where:
Base-Base interactions energy: -8.913
where: short stacking energy: -8.913
Base-Backbone interact. energy: -0.092
local terms energy: -16.508966
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.514
flat angles P-C4'-P energy: -2.122
tors. eta vs tors. theta energy: -1.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -31.252875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.252875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.252875 (E_RNA)
where:
Base-Base interactions energy: -12.723
where: short stacking energy: -12.723
Base-Backbone interact. energy: -0.000
local terms energy: -18.530182
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.332
flat angles P-C4'-P energy: -3.552
tors. eta vs tors. theta energy: -1.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -30.017901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.017901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.017901 (E_RNA)
where:
Base-Base interactions energy: -8.563
where: short stacking energy: -8.563
Base-Backbone interact. energy: -0.000
local terms energy: -21.454653
where:
bonds (distance) C4'-P energy: -3.773
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.540
flat angles P-C4'-P energy: -3.077
tors. eta vs tors. theta energy: -4.943
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: 4
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -34.800714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.800714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.800714 (E_RNA)
where:
Base-Base interactions energy: -14.988
where: short stacking energy: -14.988
Base-Backbone interact. energy: -0.000
local terms energy: -19.813115
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -4.051
flat angles C4'-P-C4' energy: -3.994
flat angles P-C4'-P energy: -2.894
tors. eta vs tors. theta energy: -4.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -33.167141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.167141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.167141 (E_RNA)
where:
Base-Base interactions energy: -12.843
where: short stacking energy: -12.843
Base-Backbone interact. energy: -0.000
local terms energy: -20.324574
where:
bonds (distance) C4'-P energy: -3.699
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.225
flat angles P-C4'-P energy: -3.780
tors. eta vs tors. theta energy: -3.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -31.874538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.874538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.874538 (E_RNA)
where:
Base-Base interactions energy: -12.824
where: short stacking energy: -12.824
Base-Backbone interact. energy: -0.000
local terms energy: -19.050592
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.432
flat angles P-C4'-P energy: -2.644
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: 6, replica: 9
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -32.590485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.590485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.590485 (E_RNA)
where:
Base-Base interactions energy: -12.681
where: short stacking energy: -12.681
Base-Backbone interact. energy: -0.000
local terms energy: -19.909782
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -4.614
flat angles P-C4'-P energy: -2.647
tors. eta vs tors. theta energy: -3.575
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: 1
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -29.052656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.052656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.052656 (E_RNA)
where:
Base-Base interactions energy: -15.538
where: short stacking energy: -15.538
Base-Backbone interact. energy: -0.000
local terms energy: -13.515103
where:
bonds (distance) C4'-P energy: -0.416
bonds (distance) P-C4' energy: -3.815
flat angles C4'-P-C4' energy: -2.209
flat angles P-C4'-P energy: -2.392
tors. eta vs tors. theta energy: -4.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -28.377272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.377272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.377272 (E_RNA)
where:
Base-Base interactions energy: -12.277
where: short stacking energy: -12.277
Base-Backbone interact. energy: -0.000
local terms energy: -16.100370
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -4.174
flat angles C4'-P-C4' energy: -2.499
flat angles P-C4'-P energy: -2.091
tors. eta vs tors. theta energy: -3.290
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: 6
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -27.367314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.367314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.367314 (E_RNA)
where:
Base-Base interactions energy: -10.920
where: short stacking energy: -10.920
Base-Backbone interact. energy: -0.003
local terms energy: -16.443533
where:
bonds (distance) C4'-P energy: -1.935
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -4.220
flat angles P-C4'-P energy: -3.008
tors. eta vs tors. theta energy: -2.424
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: 10, replica: 5
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -24.479581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.479581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.479581 (E_RNA)
where:
Base-Base interactions energy: -5.774
where: short stacking energy: -5.774
Base-Backbone interact. energy: -0.000
local terms energy: -18.705230
where:
bonds (distance) C4'-P energy: -2.387
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -3.868
flat angles P-C4'-P energy: -2.955
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: 1, replica: 10
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -39.899218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.899218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.899218 (E_RNA)
where:
Base-Base interactions energy: -16.496
where: short stacking energy: -16.496
Base-Backbone interact. energy: -0.000
local terms energy: -23.402977
where:
bonds (distance) C4'-P energy: -4.750
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.173
flat angles P-C4'-P energy: -3.891
tors. eta vs tors. theta energy: -5.467
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: 41
Temperature: 0.950000
Total energy: -38.437542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.437542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.437542 (E_RNA)
where:
Base-Base interactions energy: -17.348
where: short stacking energy: -17.348
Base-Backbone interact. energy: -0.000
local terms energy: -21.089434
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.632
flat angles P-C4'-P energy: -3.824
tors. eta vs tors. theta energy: -4.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -31.953623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.953623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.953623 (E_RNA)
where:
Base-Base interactions energy: -14.239
where: short stacking energy: -14.239
Base-Backbone interact. energy: -0.000
local terms energy: -17.714356
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -3.364
flat angles C4'-P-C4' energy: -1.858
flat angles P-C4'-P energy: -3.022
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: 4, replica: 8
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -39.347977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.347977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.347977 (E_RNA)
where:
Base-Base interactions energy: -16.772
where: short stacking energy: -16.772
Base-Backbone interact. energy: -0.000
local terms energy: -22.575508
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.383
flat angles P-C4'-P energy: -3.561
tors. eta vs tors. theta energy: -5.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -29.391673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.391673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.391673 (E_RNA)
where:
Base-Base interactions energy: -11.220
where: short stacking energy: -11.220
Base-Backbone interact. energy: -0.000
local terms energy: -18.171300
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -2.608
flat angles P-C4'-P energy: -2.795
tors. eta vs tors. theta energy: -3.377
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: 1
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -27.259349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.259349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.259349 (E_RNA)
where:
Base-Base interactions energy: -8.856
where: short stacking energy: -8.856
Base-Backbone interact. energy: -0.000
local terms energy: -18.403598
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.410
flat angles C4'-P-C4' energy: -2.980
flat angles P-C4'-P energy: -3.554
tors. eta vs tors. theta energy: -3.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -24.968257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.968257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.968257 (E_RNA)
where:
Base-Base interactions energy: -8.911
where: short stacking energy: -8.911
Base-Backbone interact. energy: -0.000
local terms energy: -16.057480
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -3.991
flat angles P-C4'-P energy: -0.429
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: 6
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -27.007061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.007061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.007061 (E_RNA)
where:
Base-Base interactions energy: -9.477
where: short stacking energy: -9.477
Base-Backbone interact. energy: -0.000
local terms energy: -17.529925
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.521
flat angles P-C4'-P energy: -2.299
tors. eta vs tors. theta energy: -2.623
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: 7
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -22.244257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.244257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.244257 (E_RNA)
where:
Base-Base interactions energy: -7.666
where: short stacking energy: -7.666
Base-Backbone interact. energy: -0.064
local terms energy: -14.514978
where:
bonds (distance) C4'-P energy: -3.045
bonds (distance) P-C4' energy: -4.653
flat angles C4'-P-C4' energy: -4.194
flat angles P-C4'-P energy: -1.259
tors. eta vs tors. theta energy: -1.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -23.030461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.030461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.030461 (E_RNA)
where:
Base-Base interactions energy: -4.970
where: short stacking energy: -4.970
Base-Backbone interact. energy: -0.000
local terms energy: -18.060226
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -3.061
flat angles P-C4'-P energy: -3.939
tors. eta vs tors. theta energy: -2.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -35.549228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.549228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.549228 (E_RNA)
where:
Base-Base interactions energy: -13.013
where: short stacking energy: -13.013
Base-Backbone interact. energy: -0.000
local terms energy: -22.536301
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.257
flat angles P-C4'-P energy: -3.651
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: 2, replica: 10
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -37.116947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.116947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.116947 (E_RNA)
where:
Base-Base interactions energy: -16.915
where: short stacking energy: -16.915
Base-Backbone interact. energy: -0.000
local terms energy: -20.201544
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.867
flat angles C4'-P-C4' energy: -2.775
flat angles P-C4'-P energy: -3.787
tors. eta vs tors. theta energy: -4.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -33.290621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.290621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.290621 (E_RNA)
where:
Base-Base interactions energy: -14.788
where: short stacking energy: -14.788
Base-Backbone interact. energy: -0.000
local terms energy: -18.502493
where:
bonds (distance) C4'-P energy: -2.619
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.853
flat angles P-C4'-P energy: -3.141
tors. eta vs tors. theta energy: -3.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -38.437537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.437537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.437537 (E_RNA)
where:
Base-Base interactions energy: -17.268
where: short stacking energy: -17.268
Base-Backbone interact. energy: -0.000
local terms energy: -21.169105
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.047
flat angles C4'-P-C4' energy: -3.505
flat angles P-C4'-P energy: -3.920
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: 5, replica: 1
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -30.759692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.759692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.759692 (E_RNA)
where:
Base-Base interactions energy: -13.099
where: short stacking energy: -13.099
Base-Backbone interact. energy: -0.000
local terms energy: -17.660712
where:
bonds (distance) C4'-P energy: -2.954
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.277
flat angles P-C4'-P energy: -2.935
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: 6, replica: 3
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -33.001805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.001805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.001805 (E_RNA)
where:
Base-Base interactions energy: -12.554
where: short stacking energy: -12.554
Base-Backbone interact. energy: -0.000
local terms energy: -20.447408
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -4.409
flat angles P-C4'-P energy: -3.355
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: 6
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -28.572469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.572469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.572469 (E_RNA)
where:
Base-Base interactions energy: -11.971
where: short stacking energy: -11.971
Base-Backbone interact. energy: -0.000
local terms energy: -16.601955
where:
bonds (distance) C4'-P energy: -3.637
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.329
flat angles P-C4'-P energy: -1.695
tors. eta vs tors. theta energy: -2.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -27.920434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.920434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.920434 (E_RNA)
where:
Base-Base interactions energy: -9.025
where: short stacking energy: -9.025
Base-Backbone interact. energy: -0.000
local terms energy: -18.895598
where:
bonds (distance) C4'-P energy: -4.009
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.609
flat angles P-C4'-P energy: -1.728
tors. eta vs tors. theta energy: -3.881
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: 9, replica: 5
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -29.259347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.259347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.259347 (E_RNA)
where:
Base-Base interactions energy: -18.248
where: short stacking energy: -9.842
Base-Backbone interact. energy: 0.376
local terms energy: -11.387993
where:
bonds (distance) C4'-P energy: 0.657
bonds (distance) P-C4' energy: -3.367
flat angles C4'-P-C4' energy: -4.403
flat angles P-C4'-P energy: -2.557
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: 10, replica: 7
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -21.524208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.524208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.524208 (E_RNA)
where:
Base-Base interactions energy: -10.157
where: short stacking energy: -3.072
Base-Backbone interact. energy: -0.125
local terms energy: -11.241694
where:
bonds (distance) C4'-P energy: -4.419
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -0.451
flat angles P-C4'-P energy: -2.437
tors. eta vs tors. theta energy: 0.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -37.359297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.359297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.359297 (E_RNA)
where:
Base-Base interactions energy: -17.608
where: short stacking energy: -17.608
Base-Backbone interact. energy: -0.000
local terms energy: -19.751781
where:
bonds (distance) C4'-P energy: -4.038
bonds (distance) P-C4' energy: -4.572
flat angles C4'-P-C4' energy: -4.060
flat angles P-C4'-P energy: -3.340
tors. eta vs tors. theta energy: -3.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -40.191227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.191227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.191227 (E_RNA)
where:
Base-Base interactions energy: -20.822
where: short stacking energy: -12.610
Base-Backbone interact. energy: -0.003
local terms energy: -19.365502
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -3.602
flat angles P-C4'-P energy: -3.462
tors. eta vs tors. theta energy: -2.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -33.242657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.242657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.242657 (E_RNA)
where:
Base-Base interactions energy: -12.605
where: short stacking energy: -12.605
Base-Backbone interact. energy: -0.000
local terms energy: -20.637212
where:
bonds (distance) C4'-P energy: -3.256
bonds (distance) P-C4' energy: -3.494
flat angles C4'-P-C4' energy: -4.850
flat angles P-C4'-P energy: -3.884
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: 4, replica: 1
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -33.282514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.282514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.282514 (E_RNA)
where:
Base-Base interactions energy: -16.839
where: short stacking energy: -16.839
Base-Backbone interact. energy: -0.000
local terms energy: -16.443657
where:
bonds (distance) C4'-P energy: -1.774
bonds (distance) P-C4' energy: -4.572
flat angles C4'-P-C4' energy: -4.683
flat angles P-C4'-P energy: -0.380
tors. eta vs tors. theta energy: -5.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -27.709413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.709413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.709413 (E_RNA)
where:
Base-Base interactions energy: -13.205
where: short stacking energy: -13.205
Base-Backbone interact. energy: -0.000
local terms energy: -14.504059
where:
bonds (distance) C4'-P energy: -3.575
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -2.886
flat angles P-C4'-P energy: -0.792
tors. eta vs tors. theta energy: -2.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -28.011922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.011922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.011922 (E_RNA)
where:
Base-Base interactions energy: -11.018
where: short stacking energy: -11.018
Base-Backbone interact. energy: -0.000
local terms energy: -16.993455
where:
bonds (distance) C4'-P energy: -1.944
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.717
flat angles P-C4'-P energy: -3.126
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: 7, replica: 3
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -26.859012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.859012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.859012 (E_RNA)
where:
Base-Base interactions energy: -10.767
where: short stacking energy: -10.767
Base-Backbone interact. energy: -0.022
local terms energy: -16.069227
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -3.969
flat angles C4'-P-C4' energy: -2.300
flat angles P-C4'-P energy: -3.880
tors. eta vs tors. theta energy: -1.510
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: 43
Temperature: 1.250000
Total energy: -26.736814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.736814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.736814 (E_RNA)
where:
Base-Base interactions energy: -9.180
where: short stacking energy: -9.180
Base-Backbone interact. energy: -0.000
local terms energy: -17.556469
where:
bonds (distance) C4'-P energy: -4.009
bonds (distance) P-C4' energy: -4.892
flat angles C4'-P-C4' energy: -3.931
flat angles P-C4'-P energy: -3.221
tors. eta vs tors. theta energy: -1.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -23.966845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.966845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.966845 (E_RNA)
where:
Base-Base interactions energy: -8.774
where: short stacking energy: -8.774
Base-Backbone interact. energy: 0.459
local terms energy: -15.652041
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -4.628
flat angles C4'-P-C4' energy: -3.955
flat angles P-C4'-P energy: -1.333
tors. eta vs tors. theta energy: -2.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -25.832177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.832177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.832177 (E_RNA)
where:
Base-Base interactions energy: -7.489
where: short stacking energy: -7.489
Base-Backbone interact. energy: -0.000
local terms energy: -18.342739
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.413
flat angles C4'-P-C4' energy: -2.865
flat angles P-C4'-P energy: -3.369
tors. eta vs tors. theta energy: -3.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -38.132809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.132809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.132809 (E_RNA)
where:
Base-Base interactions energy: -17.049
where: short stacking energy: -17.049
Base-Backbone interact. energy: -0.000
local terms energy: -21.084127
where:
bonds (distance) C4'-P energy: -3.691
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.486
flat angles P-C4'-P energy: -2.958
tors. eta vs tors. theta energy: -4.834
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: 4
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -34.417286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.417286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.417286 (E_RNA)
where:
Base-Base interactions energy: -13.138
where: short stacking energy: -13.138
Base-Backbone interact. energy: -0.000
local terms energy: -21.278940
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.539
flat angles P-C4'-P energy: -2.535
tors. eta vs tors. theta energy: -5.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -36.096721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.096721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.096721 (E_RNA)
where:
Base-Base interactions energy: -17.788
where: short stacking energy: -17.788
Base-Backbone interact. energy: -0.000
local terms energy: -18.309041
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.603
flat angles C4'-P-C4' energy: -4.042
flat angles P-C4'-P energy: -1.973
tors. eta vs tors. theta energy: -3.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -30.689029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.689029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.689029 (E_RNA)
where:
Base-Base interactions energy: -13.134
where: short stacking energy: -13.134
Base-Backbone interact. energy: -0.000
local terms energy: -17.555198
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -3.544
flat angles C4'-P-C4' energy: -4.428
flat angles P-C4'-P energy: -0.054
tors. eta vs tors. theta energy: -5.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -28.472322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.472322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.472322 (E_RNA)
where:
Base-Base interactions energy: -10.792
where: short stacking energy: -10.792
Base-Backbone interact. energy: -0.005
local terms energy: -17.675888
where:
bonds (distance) C4'-P energy: -2.156
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -4.678
flat angles P-C4'-P energy: -2.772
tors. eta vs tors. theta energy: -2.713
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: 2
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -30.073339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.073339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.073339 (E_RNA)
where:
Base-Base interactions energy: -13.136
where: short stacking energy: -13.136
Base-Backbone interact. energy: -0.000
local terms energy: -16.937112
where:
bonds (distance) C4'-P energy: -3.522
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.599
flat angles P-C4'-P energy: -0.861
tors. eta vs tors. theta energy: -2.841
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: 5
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -24.992554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.992554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.992554 (E_RNA)
where:
Base-Base interactions energy: -9.327
where: short stacking energy: -9.327
Base-Backbone interact. energy: -0.000
local terms energy: -15.665004
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.044
flat angles C4'-P-C4' energy: -3.072
flat angles P-C4'-P energy: -2.834
tors. eta vs tors. theta energy: -1.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -22.657766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.657766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.657766 (E_RNA)
where:
Base-Base interactions energy: -7.492
where: short stacking energy: -7.492
Base-Backbone interact. energy: -0.000
local terms energy: -15.166188
where:
bonds (distance) C4'-P energy: -3.753
bonds (distance) P-C4' energy: -4.674
flat angles C4'-P-C4' energy: -1.793
flat angles P-C4'-P energy: -3.732
tors. eta vs tors. theta energy: -1.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -27.543894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.543894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.543894 (E_RNA)
where:
Base-Base interactions energy: -8.515
where: short stacking energy: -8.515
Base-Backbone interact. energy: -0.000
local terms energy: -19.028409
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.649
flat angles C4'-P-C4' energy: -3.273
flat angles P-C4'-P energy: -4.021
tors. eta vs tors. theta energy: -2.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -31.587712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.587712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.587712 (E_RNA)
where:
Base-Base interactions energy: -13.478
where: short stacking energy: -13.478
Base-Backbone interact. energy: -0.000
local terms energy: -18.109448
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.574
flat angles P-C4'-P energy: -1.792
tors. eta vs tors. theta energy: -2.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -35.345444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.345444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.345444 (E_RNA)
where:
Base-Base interactions energy: -13.032
where: short stacking energy: -13.032
Base-Backbone interact. energy: -0.000
local terms energy: -22.313390
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -4.805
flat angles P-C4'-P energy: -3.129
tors. eta vs tors. theta energy: -4.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -36.650888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.650888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.650888 (E_RNA)
where:
Base-Base interactions energy: -16.414
where: short stacking energy: -16.414
Base-Backbone interact. energy: -0.000
local terms energy: -20.236680
where:
bonds (distance) C4'-P energy: -3.425
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -4.223
flat angles P-C4'-P energy: -3.166
tors. eta vs tors. theta energy: -4.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -31.913425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.913425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.913425 (E_RNA)
where:
Base-Base interactions energy: -12.833
where: short stacking energy: -12.833
Base-Backbone interact. energy: -0.000
local terms energy: -19.080356
where:
bonds (distance) C4'-P energy: -2.597
bonds (distance) P-C4' energy: -4.205
flat angles C4'-P-C4' energy: -3.783
flat angles P-C4'-P energy: -4.120
tors. eta vs tors. theta energy: -4.375
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: 6
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -28.214423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.214423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.214423 (E_RNA)
where:
Base-Base interactions energy: -8.421
where: short stacking energy: -8.421
Base-Backbone interact. energy: -0.000
local terms energy: -19.793030
where:
bonds (distance) C4'-P energy: -4.742
bonds (distance) P-C4' energy: -4.180
flat angles C4'-P-C4' energy: -4.574
flat angles P-C4'-P energy: -3.777
tors. eta vs tors. theta energy: -2.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -25.971479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.971479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.971479 (E_RNA)
where:
Base-Base interactions energy: -12.983
where: short stacking energy: -12.983
Base-Backbone interact. energy: -0.000
local terms energy: -12.988547
where:
bonds (distance) C4'-P energy: -3.281
bonds (distance) P-C4' energy: -4.180
flat angles C4'-P-C4' energy: -3.745
flat angles P-C4'-P energy: -0.485
tors. eta vs tors. theta energy: -1.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -28.203279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.203279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.203279 (E_RNA)
where:
Base-Base interactions energy: -13.304
where: short stacking energy: -13.304
Base-Backbone interact. energy: -0.000
local terms energy: -14.899338
where:
bonds (distance) C4'-P energy: -3.256
bonds (distance) P-C4' energy: -3.969
flat angles C4'-P-C4' energy: -4.238
flat angles P-C4'-P energy: -1.160
tors. eta vs tors. theta energy: -2.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -28.346274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.346274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.346274 (E_RNA)
where:
Base-Base interactions energy: -10.360
where: short stacking energy: -10.360
Base-Backbone interact. energy: -0.022
local terms energy: -17.964019
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -4.413
flat angles C4'-P-C4' energy: -3.586
flat angles P-C4'-P energy: -3.939
tors. eta vs tors. theta energy: -1.731
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: 7
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -26.818144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.818144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.818144 (E_RNA)
where:
Base-Base interactions energy: -10.970
where: short stacking energy: -9.828
Base-Backbone interact. energy: -0.002
local terms energy: -15.846740
where:
bonds (distance) C4'-P energy: -2.597
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -2.240
flat angles P-C4'-P energy: -2.554
tors. eta vs tors. theta energy: -3.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -29.373329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.373329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.373329 (E_RNA)
where:
Base-Base interactions energy: -10.283
where: short stacking energy: -6.782
Base-Backbone interact. energy: -0.000
local terms energy: -19.089682
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -5.128
flat angles C4'-P-C4' energy: -4.614
flat angles P-C4'-P energy: -3.489
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: 10, replica: 9
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -25.549350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.549350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.549350 (E_RNA)
where:
Base-Base interactions energy: -8.454
where: short stacking energy: -8.454
Base-Backbone interact. energy: -0.005
local terms energy: -17.090040
where:
bonds (distance) C4'-P energy: -3.781
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.129
flat angles P-C4'-P energy: -2.839
tors. eta vs tors. theta energy: -1.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -31.033669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.033669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.033669 (E_RNA)
where:
Base-Base interactions energy: -10.449
where: short stacking energy: -10.449
Base-Backbone interact. energy: -0.000
local terms energy: -20.584692
where:
bonds (distance) C4'-P energy: -4.038
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.008
flat angles P-C4'-P energy: -3.204
tors. eta vs tors. theta energy: -3.980
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: 1
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -32.859253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.859253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.859253 (E_RNA)
where:
Base-Base interactions energy: -13.783
where: short stacking energy: -13.783
Base-Backbone interact. energy: -0.000
local terms energy: -19.076085
where:
bonds (distance) C4'-P energy: -3.745
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -3.327
flat angles P-C4'-P energy: -2.620
tors. eta vs tors. theta energy: -4.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -36.515877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.515877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.515877 (E_RNA)
where:
Base-Base interactions energy: -16.580
where: short stacking energy: -16.580
Base-Backbone interact. energy: -0.000
local terms energy: -19.935655
where:
bonds (distance) C4'-P energy: -2.804
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -4.010
flat angles P-C4'-P energy: -2.638
tors. eta vs tors. theta energy: -5.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -28.127177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.127177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.127177 (E_RNA)
where:
Base-Base interactions energy: -9.557
where: short stacking energy: -9.557
Base-Backbone interact. energy: -0.000
local terms energy: -18.570210
where:
bonds (distance) C4'-P energy: -4.038
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.762
flat angles P-C4'-P energy: -3.643
tors. eta vs tors. theta energy: -2.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -29.321125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.321125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.321125 (E_RNA)
where:
Base-Base interactions energy: -13.502
where: short stacking energy: -13.502
Base-Backbone interact. energy: -0.000
local terms energy: -15.819391
where:
bonds (distance) C4'-P energy: -3.301
bonds (distance) P-C4' energy: -4.413
flat angles C4'-P-C4' energy: -4.256
flat angles P-C4'-P energy: -1.510
tors. eta vs tors. theta energy: -2.339
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: 6, replica: 10
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -33.094428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.094428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.094428 (E_RNA)
where:
Base-Base interactions energy: -15.676
where: short stacking energy: -15.676
Base-Backbone interact. energy: -0.000
local terms energy: -17.418146
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -3.751
flat angles C4'-P-C4' energy: -4.206
flat angles P-C4'-P energy: -0.289
tors. eta vs tors. theta energy: -4.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -28.801166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.801166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.801166 (E_RNA)
where:
Base-Base interactions energy: -12.945
where: short stacking energy: -12.945
Base-Backbone interact. energy: -0.000
local terms energy: -15.856414
where:
bonds (distance) C4'-P energy: -3.645
bonds (distance) P-C4' energy: -3.131
flat angles C4'-P-C4' energy: -3.938
flat angles P-C4'-P energy: -3.234
tors. eta vs tors. theta energy: -1.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -30.588011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.588011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.588011 (E_RNA)
where:
Base-Base interactions energy: -10.431
where: short stacking energy: -10.431
Base-Backbone interact. energy: -0.000
local terms energy: -20.156619
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.061
flat angles P-C4'-P energy: -2.511
tors. eta vs tors. theta energy: -4.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -24.327458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.327458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.327458 (E_RNA)
where:
Base-Base interactions energy: -7.174
where: short stacking energy: -3.870
Base-Backbone interact. energy: -0.027
local terms energy: -17.126672
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -3.790
flat angles C4'-P-C4' energy: -4.624
flat angles P-C4'-P energy: -3.099
tors. eta vs tors. theta energy: -1.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -26.075677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.075677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.075677 (E_RNA)
where:
Base-Base interactions energy: -7.053
where: short stacking energy: -7.053
Base-Backbone interact. energy: -0.000
local terms energy: -19.022032
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.572
flat angles C4'-P-C4' energy: -4.751
flat angles P-C4'-P energy: -1.664
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: 1, replica: 8
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -38.783858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.783858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.783858 (E_RNA)
where:
Base-Base interactions energy: -18.371
where: short stacking energy: -18.371
Base-Backbone interact. energy: -0.000
local terms energy: -20.412517
where:
bonds (distance) C4'-P energy: -4.320
bonds (distance) P-C4' energy: -3.578
flat angles C4'-P-C4' energy: -4.080
flat angles P-C4'-P energy: -3.702
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: 2, replica: 6
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -34.740355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.740355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.740355 (E_RNA)
where:
Base-Base interactions energy: -13.903
where: short stacking energy: -13.903
Base-Backbone interact. energy: -0.000
local terms energy: -20.837760
where:
bonds (distance) C4'-P energy: -3.479
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -3.767
flat angles P-C4'-P energy: -3.350
tors. eta vs tors. theta energy: -5.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -30.264567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.264567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.264567 (E_RNA)
where:
Base-Base interactions energy: -12.735
where: short stacking energy: -12.735
Base-Backbone interact. energy: -0.000
local terms energy: -17.529543
where:
bonds (distance) C4'-P energy: -3.773
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.481
flat angles P-C4'-P energy: -3.374
tors. eta vs tors. theta energy: -1.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -29.162608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.162608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.162608 (E_RNA)
where:
Base-Base interactions energy: -12.640
where: short stacking energy: -12.640
Base-Backbone interact. energy: -0.000
local terms energy: -16.522301
where:
bonds (distance) C4'-P energy: -2.163
bonds (distance) P-C4' energy: -4.177
flat angles C4'-P-C4' energy: -3.874
flat angles P-C4'-P energy: -0.771
tors. eta vs tors. theta energy: -5.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -30.826365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.826365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.826365 (E_RNA)
where:
Base-Base interactions energy: -12.043
where: short stacking energy: -12.043
Base-Backbone interact. energy: -0.000
local terms energy: -18.783302
where:
bonds (distance) C4'-P energy: -3.691
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -3.835
flat angles P-C4'-P energy: -3.388
tors. eta vs tors. theta energy: -3.199
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: 7
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -31.044519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.044519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.044519 (E_RNA)
where:
Base-Base interactions energy: -14.605
where: short stacking energy: -14.605
Base-Backbone interact. energy: -0.000
local terms energy: -16.439874
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -3.553
flat angles C4'-P-C4' energy: -3.341
flat angles P-C4'-P energy: -2.640
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: 7, replica: 10
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -25.524251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.524251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.524251 (E_RNA)
where:
Base-Base interactions energy: -8.748
where: short stacking energy: -8.748
Base-Backbone interact. energy: -0.000
local terms energy: -16.776053
where:
bonds (distance) C4'-P energy: -3.070
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -2.893
flat angles P-C4'-P energy: -3.813
tors. eta vs tors. theta energy: -1.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -27.120261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.120261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.120261 (E_RNA)
where:
Base-Base interactions energy: -13.234
where: short stacking energy: -13.234
Base-Backbone interact. energy: -0.000
local terms energy: -13.885970
where:
bonds (distance) C4'-P energy: -1.021
bonds (distance) P-C4' energy: -4.892
flat angles C4'-P-C4' energy: -3.495
flat angles P-C4'-P energy: -3.404
tors. eta vs tors. theta energy: -1.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -23.342862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.342862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.342862 (E_RNA)
where:
Base-Base interactions energy: -7.980
where: short stacking energy: -7.980
Base-Backbone interact. energy: -0.097
local terms energy: -15.266260
where:
bonds (distance) C4'-P energy: -3.541
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -3.350
flat angles P-C4'-P energy: -1.817
tors. eta vs tors. theta energy: -1.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -28.790363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.790363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.790363 (E_RNA)
where:
Base-Base interactions energy: -12.830
where: short stacking energy: -12.830
Base-Backbone interact. energy: -0.001
local terms energy: -15.959651
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -4.624
flat angles C4'-P-C4' energy: -3.548
flat angles P-C4'-P energy: -1.799
tors. eta vs tors. theta energy: -1.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -38.018756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.018756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.018756 (E_RNA)
where:
Base-Base interactions energy: -16.788
where: short stacking energy: -16.788
Base-Backbone interact. energy: -0.000
local terms energy: -21.230353
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -4.505
flat angles P-C4'-P energy: -3.139
tors. eta vs tors. theta energy: -5.373
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: 8
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -34.450990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.450990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.450990 (E_RNA)
where:
Base-Base interactions energy: -16.971
where: short stacking energy: -16.971
Base-Backbone interact. energy: -0.000
local terms energy: -17.480346
where:
bonds (distance) C4'-P energy: -3.753
bonds (distance) P-C4' energy: -3.371
flat angles C4'-P-C4' energy: -4.801
flat angles P-C4'-P energy: -1.643
tors. eta vs tors. theta energy: -3.912
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: 48
Temperature: 1.000000
Total energy: -32.974796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.974796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.974796 (E_RNA)
where:
Base-Base interactions energy: -14.074
where: short stacking energy: -14.074
Base-Backbone interact. energy: -0.000
local terms energy: -18.901133
where:
bonds (distance) C4'-P energy: -3.637
bonds (distance) P-C4' energy: -4.370
flat angles C4'-P-C4' energy: -4.721
flat angles P-C4'-P energy: -2.869
tors. eta vs tors. theta energy: -3.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -31.381563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.381563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.381563 (E_RNA)
where:
Base-Base interactions energy: -14.977
where: short stacking energy: -14.977
Base-Backbone interact. energy: -0.000
local terms energy: -16.405040
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -3.557
flat angles C4'-P-C4' energy: -4.289
flat angles P-C4'-P energy: -0.927
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: 5, replica: 7
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -31.183856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.183856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.183856 (E_RNA)
where:
Base-Base interactions energy: -12.367
where: short stacking energy: -12.367
Base-Backbone interact. energy: -0.000
local terms energy: -18.816381
where:
bonds (distance) C4'-P energy: -3.745
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.885
flat angles P-C4'-P energy: -2.936
tors. eta vs tors. theta energy: -2.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -34.565846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.565846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.565846 (E_RNA)
where:
Base-Base interactions energy: -15.982
where: short stacking energy: -15.982
Base-Backbone interact. energy: -0.000
local terms energy: -18.583786
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -0.892
flat angles P-C4'-P energy: -2.996
tors. eta vs tors. theta energy: -5.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -29.754451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.754451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.754451 (E_RNA)
where:
Base-Base interactions energy: -11.177
where: short stacking energy: -7.436
Base-Backbone interact. energy: -0.000
local terms energy: -18.576990
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.943
flat angles P-C4'-P energy: -2.739
tors. eta vs tors. theta energy: -1.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -23.343194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.343194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.343194 (E_RNA)
where:
Base-Base interactions energy: -8.522
where: short stacking energy: -8.522
Base-Backbone interact. energy: -0.002
local terms energy: -14.819004
where:
bonds (distance) C4'-P energy: -3.753
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -3.710
flat angles P-C4'-P energy: -1.394
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: 9, replica: 9
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -29.464884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.464884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.464884 (E_RNA)
where:
Base-Base interactions energy: -11.080
where: short stacking energy: -11.080
Base-Backbone interact. energy: -0.000
local terms energy: -18.385119
where:
bonds (distance) C4'-P energy: -3.202
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.368
flat angles P-C4'-P energy: -2.297
tors. eta vs tors. theta energy: -3.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -25.764965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.764965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.764965 (E_RNA)
where:
Base-Base interactions energy: -9.201
where: short stacking energy: -9.201
Base-Backbone interact. energy: -0.000
local terms energy: -16.564151
where:
bonds (distance) C4'-P energy: -2.751
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.175
flat angles P-C4'-P energy: -2.941
tors. eta vs tors. theta energy: -3.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -33.297852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.297852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.297852 (E_RNA)
where:
Base-Base interactions energy: -13.883
where: short stacking energy: -13.883
Base-Backbone interact. energy: -0.000
local terms energy: -19.414382
where:
bonds (distance) C4'-P energy: -3.268
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -4.592
flat angles P-C4'-P energy: -2.830
tors. eta vs tors. theta energy: -3.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -39.702172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.702172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.702172 (E_RNA)
where:
Base-Base interactions energy: -18.760
where: short stacking energy: -18.760
Base-Backbone interact. energy: -0.000
local terms energy: -20.942243
where:
bonds (distance) C4'-P energy: -2.892
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.943
flat angles P-C4'-P energy: -2.694
tors. eta vs tors. theta energy: -5.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -32.484426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.484426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.484426 (E_RNA)
where:
Base-Base interactions energy: -14.129
where: short stacking energy: -14.129
Base-Backbone interact. energy: -0.000
local terms energy: -18.355682
where:
bonds (distance) C4'-P energy: -3.558
bonds (distance) P-C4' energy: -3.981
flat angles C4'-P-C4' energy: -4.572
flat angles P-C4'-P energy: -2.563
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: 4, replica: 7
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -29.407471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.407471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.407471 (E_RNA)
where:
Base-Base interactions energy: -13.404
where: short stacking energy: -13.404
Base-Backbone interact. energy: -0.000
local terms energy: -16.003241
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.839
flat angles C4'-P-C4' energy: -4.449
flat angles P-C4'-P energy: -1.000
tors. eta vs tors. theta energy: -1.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -28.006516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.006516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.006516 (E_RNA)
where:
Base-Base interactions energy: -11.652
where: short stacking energy: -11.652
Base-Backbone interact. energy: -0.000
local terms energy: -16.354897
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.656
flat angles C4'-P-C4' energy: -4.657
flat angles P-C4'-P energy: 0.435
tors. eta vs tors. theta energy: -2.967
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: 10
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -27.943123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.943123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.943123 (E_RNA)
where:
Base-Base interactions energy: -10.988
where: short stacking energy: -10.988
Base-Backbone interact. energy: -0.000
local terms energy: -16.954642
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -2.069
flat angles P-C4'-P energy: -3.049
tors. eta vs tors. theta energy: -2.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -34.996740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.996740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.996740 (E_RNA)
where:
Base-Base interactions energy: -16.756
where: short stacking energy: -16.756
Base-Backbone interact. energy: -0.000
local terms energy: -18.240986
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -2.692
flat angles P-C4'-P energy: -2.091
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: 8, replica: 9
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -32.370965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.370965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.370965 (E_RNA)
where:
Base-Base interactions energy: -13.940
where: short stacking energy: -13.940
Base-Backbone interact. energy: -0.000
local terms energy: -18.430657
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.174
flat angles C4'-P-C4' energy: -4.118
flat angles P-C4'-P energy: -1.349
tors. eta vs tors. theta energy: -4.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -27.781897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.781897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.781897 (E_RNA)
where:
Base-Base interactions energy: -9.693
where: short stacking energy: -9.693
Base-Backbone interact. energy: -0.000
local terms energy: -18.088325
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -3.793
flat angles C4'-P-C4' energy: -4.139
flat angles P-C4'-P energy: -3.251
tors. eta vs tors. theta energy: -3.099
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: 2
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -27.284814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.284814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.284814 (E_RNA)
where:
Base-Base interactions energy: -8.453
where: short stacking energy: -8.453
Base-Backbone interact. energy: -0.000
local terms energy: -18.832093
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.079
flat angles P-C4'-P energy: -2.907
tors. eta vs tors. theta energy: -3.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -36.732222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.732222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.732222 (E_RNA)
where:
Base-Base interactions energy: -17.129
where: short stacking energy: -17.129
Base-Backbone interact. energy: -0.000
local terms energy: -19.603522
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.367
flat angles P-C4'-P energy: -1.979
tors. eta vs tors. theta energy: -3.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -38.692146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.692146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.692146 (E_RNA)
where:
Base-Base interactions energy: -16.735
where: short stacking energy: -16.735
Base-Backbone interact. energy: -0.000
local terms energy: -21.957440
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.045
flat angles P-C4'-P energy: -3.453
tors. eta vs tors. theta energy: -4.947
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: 7
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -36.042006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.042006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.042006 (E_RNA)
where:
Base-Base interactions energy: -14.458
where: short stacking energy: -14.458
Base-Backbone interact. energy: -0.000
local terms energy: -21.584059
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.398
flat angles P-C4'-P energy: -3.873
tors. eta vs tors. theta energy: -3.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -29.050726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.050726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.050726 (E_RNA)
where:
Base-Base interactions energy: -11.397
where: short stacking energy: -11.397
Base-Backbone interact. energy: -0.000
local terms energy: -17.653362
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -2.764
flat angles P-C4'-P energy: -3.871
tors. eta vs tors. theta energy: -2.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -31.558937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.558937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.558937 (E_RNA)
where:
Base-Base interactions energy: -12.062
where: short stacking energy: -12.062
Base-Backbone interact. energy: -0.000
local terms energy: -19.496444
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.176
flat angles P-C4'-P energy: -3.541
tors. eta vs tors. theta energy: -2.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -29.781137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.781137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.781137 (E_RNA)
where:
Base-Base interactions energy: -13.097
where: short stacking energy: -13.097
Base-Backbone interact. energy: -0.000
local terms energy: -16.683659
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -2.740
flat angles C4'-P-C4' energy: -4.272
flat angles P-C4'-P energy: -1.597
tors. eta vs tors. theta energy: -3.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -22.248523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.248523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.248523 (E_RNA)
where:
Base-Base interactions energy: -6.427
where: short stacking energy: -6.427
Base-Backbone interact. energy: -0.000
local terms energy: -15.821206
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -2.898
flat angles C4'-P-C4' energy: -3.898
flat angles P-C4'-P energy: -3.345
tors. eta vs tors. theta energy: -1.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -30.493528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.493528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.493528 (E_RNA)
where:
Base-Base interactions energy: -13.272
where: short stacking energy: -13.272
Base-Backbone interact. energy: -0.000
local terms energy: -17.221604
where:
bonds (distance) C4'-P energy: -2.689
bonds (distance) P-C4' energy: -3.490
flat angles C4'-P-C4' energy: -3.751
flat angles P-C4'-P energy: -2.002
tors. eta vs tors. theta energy: -5.290
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: 2
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -27.273075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.273075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.273075 (E_RNA)
where:
Base-Base interactions energy: -8.683
where: short stacking energy: -8.683
Base-Backbone interact. energy: -0.000
local terms energy: -18.589725
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.063
flat angles P-C4'-P energy: -2.465
tors. eta vs tors. theta energy: -2.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -29.624027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.624027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.624027 (E_RNA)
where:
Base-Base interactions energy: -10.953
where: short stacking energy: -10.953
Base-Backbone interact. energy: -0.000
local terms energy: -18.671226
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.791
flat angles P-C4'-P energy: -3.570
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: 1, replica: 5
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -40.358528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.358528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.358528 (E_RNA)
where:
Base-Base interactions energy: -18.060
where: short stacking energy: -18.060
Base-Backbone interact. energy: -0.000
local terms energy: -22.298704
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.261
flat angles P-C4'-P energy: -2.853
tors. eta vs tors. theta energy: -5.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -34.250796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.250796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.250796 (E_RNA)
where:
Base-Base interactions energy: -17.027
where: short stacking energy: -17.027
Base-Backbone interact. energy: -0.000
local terms energy: -17.223573
where:
bonds (distance) C4'-P energy: -2.954
bonds (distance) P-C4' energy: -4.656
flat angles C4'-P-C4' energy: -2.355
flat angles P-C4'-P energy: -2.451
tors. eta vs tors. theta energy: -4.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -33.354895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.354895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.354895 (E_RNA)
where:
Base-Base interactions energy: -15.734
where: short stacking energy: -10.937
Base-Backbone interact. energy: -0.000
local terms energy: -17.621235
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -4.177
flat angles C4'-P-C4' energy: -4.799
flat angles P-C4'-P energy: -1.569
tors. eta vs tors. theta energy: -3.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -31.366716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.366716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.366716 (E_RNA)
where:
Base-Base interactions energy: -12.884
where: short stacking energy: -12.884
Base-Backbone interact. energy: -0.007
local terms energy: -18.475504
where:
bonds (distance) C4'-P energy: -3.406
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -4.135
flat angles P-C4'-P energy: -3.192
tors. eta vs tors. theta energy: -2.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -28.262459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.262459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.262459 (E_RNA)
where:
Base-Base interactions energy: -11.843
where: short stacking energy: -11.843
Base-Backbone interact. energy: -0.000
local terms energy: -16.419332
where:
bonds (distance) C4'-P energy: -3.256
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.712
flat angles P-C4'-P energy: -1.065
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: 6, replica: 9
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -28.959703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.959703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.959703 (E_RNA)
where:
Base-Base interactions energy: -11.397
where: short stacking energy: -11.397
Base-Backbone interact. energy: -0.000
local terms energy: -17.563016
where:
bonds (distance) C4'-P energy: -3.040
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -3.376
flat angles P-C4'-P energy: -3.214
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: 7, replica: 1
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -28.111194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.111194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.111194 (E_RNA)
where:
Base-Base interactions energy: -11.521
where: short stacking energy: -11.521
Base-Backbone interact. energy: -0.000
local terms energy: -16.589733
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.169
flat angles P-C4'-P energy: -1.957
tors. eta vs tors. theta energy: -1.832
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: 2
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -27.717767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.717767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.717767 (E_RNA)
where:
Base-Base interactions energy: -12.411
where: short stacking energy: -12.411
Base-Backbone interact. energy: -0.000
local terms energy: -15.306564
where:
bonds (distance) C4'-P energy: -3.459
bonds (distance) P-C4' energy: -4.410
flat angles C4'-P-C4' energy: -4.023
flat angles P-C4'-P energy: -0.105
tors. eta vs tors. theta energy: -3.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -32.589061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.589061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.589061 (E_RNA)
where:
Base-Base interactions energy: -13.555
where: short stacking energy: -13.555
Base-Backbone interact. energy: -0.000
local terms energy: -19.033577
where:
bonds (distance) C4'-P energy: -4.419
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -4.514
flat angles P-C4'-P energy: -2.270
tors. eta vs tors. theta energy: -3.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -24.793379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.793379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.793379 (E_RNA)
where:
Base-Base interactions energy: -8.387
where: short stacking energy: -8.387
Base-Backbone interact. energy: -0.000
local terms energy: -16.406083
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -3.134
flat angles C4'-P-C4' energy: -4.098
flat angles P-C4'-P energy: -2.333
tors. eta vs tors. theta energy: -2.555
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: 7
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -37.942149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.942149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.942149 (E_RNA)
where:
Base-Base interactions energy: -17.189
where: short stacking energy: -17.189
Base-Backbone interact. energy: -0.000
local terms energy: -20.752767
where:
bonds (distance) C4'-P energy: -2.854
bonds (distance) P-C4' energy: -4.867
flat angles C4'-P-C4' energy: -4.187
flat angles P-C4'-P energy: -3.307
tors. eta vs tors. theta energy: -5.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -38.872836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.872836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.872836 (E_RNA)
where:
Base-Base interactions energy: -18.253
where: short stacking energy: -18.253
Base-Backbone interact. energy: -0.000
local terms energy: -20.620001
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.080
flat angles P-C4'-P energy: -1.762
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: 3, replica: 8
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -27.095943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.095943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.095943 (E_RNA)
where:
Base-Base interactions energy: -8.430
where: short stacking energy: -8.430
Base-Backbone interact. energy: -0.159
local terms energy: -18.506724
where:
bonds (distance) C4'-P energy: -3.406
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -4.818
flat angles P-C4'-P energy: -4.088
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: 4, replica: 6
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -30.608691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.608691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.608691 (E_RNA)
where:
Base-Base interactions energy: -12.492
where: short stacking energy: -12.492
Base-Backbone interact. energy: -0.000
local terms energy: -18.117014
where:
bonds (distance) C4'-P energy: -3.306
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.608
flat angles P-C4'-P energy: -2.192
tors. eta vs tors. theta energy: -3.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -26.012280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.012280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.012280 (E_RNA)
where:
Base-Base interactions energy: -7.957
where: short stacking energy: -7.957
Base-Backbone interact. energy: -0.024
local terms energy: -18.031672
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -4.173
flat angles P-C4'-P energy: -3.765
tors. eta vs tors. theta energy: -0.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -28.754131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.754131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.754131 (E_RNA)
where:
Base-Base interactions energy: -10.769
where: short stacking energy: -10.769
Base-Backbone interact. energy: -0.002
local terms energy: -17.982925
where:
bonds (distance) C4'-P energy: -2.163
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.310
flat angles P-C4'-P energy: -3.376
tors. eta vs tors. theta energy: -2.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -26.369153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.369153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.369153 (E_RNA)
where:
Base-Base interactions energy: -8.562
where: short stacking energy: -8.562
Base-Backbone interact. energy: -0.000
local terms energy: -17.807399
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -4.013
flat angles P-C4'-P energy: -1.534
tors. eta vs tors. theta energy: -2.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -25.384647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.384647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.384647 (E_RNA)
where:
Base-Base interactions energy: -8.891
where: short stacking energy: -8.455
Base-Backbone interact. energy: -0.010
local terms energy: -16.483793
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.883
flat angles P-C4'-P energy: -2.407
tors. eta vs tors. theta energy: -0.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -28.335201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.335201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.335201 (E_RNA)
where:
Base-Base interactions energy: -9.393
where: short stacking energy: -9.393
Base-Backbone interact. energy: -0.000
local terms energy: -18.942019
where:
bonds (distance) C4'-P energy: -4.419
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -3.659
flat angles P-C4'-P energy: -3.588
tors. eta vs tors. theta energy: -2.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -25.209469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.209469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.209469 (E_RNA)
where:
Base-Base interactions energy: -9.174
where: short stacking energy: -9.174
Base-Backbone interact. energy: -0.000
local terms energy: -16.035092
where:
bonds (distance) C4'-P energy: -3.673
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -1.562
flat angles P-C4'-P energy: -2.916
tors. eta vs tors. theta energy: -2.791
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: 7
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -37.897932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.897932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.897932 (E_RNA)
where:
Base-Base interactions energy: -18.545
where: short stacking energy: -18.545
Base-Backbone interact. energy: -0.000
local terms energy: -19.352849
where:
bonds (distance) C4'-P energy: -3.363
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.466
flat angles P-C4'-P energy: -3.085
tors. eta vs tors. theta energy: -3.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -32.562629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.562629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.562629 (E_RNA)
where:
Base-Base interactions energy: -12.488
where: short stacking energy: -12.488
Base-Backbone interact. energy: -0.000
local terms energy: -20.074752
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.484
flat angles P-C4'-P energy: -3.797
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: 3, replica: 5
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -37.947576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.947576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.947576 (E_RNA)
where:
Base-Base interactions energy: -18.282
where: short stacking energy: -18.282
Base-Backbone interact. energy: -0.000
local terms energy: -19.665366
where:
bonds (distance) C4'-P energy: -4.154
bonds (distance) P-C4' energy: -1.839
flat angles C4'-P-C4' energy: -4.571
flat angles P-C4'-P energy: -3.594
tors. eta vs tors. theta energy: -5.507
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: 9
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -36.787622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.787622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.787622 (E_RNA)
where:
Base-Base interactions energy: -17.871
where: short stacking energy: -17.871
Base-Backbone interact. energy: -0.000
local terms energy: -18.917012
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.345
flat angles P-C4'-P energy: -1.789
tors. eta vs tors. theta energy: -3.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -30.151174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.151174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.151174 (E_RNA)
where:
Base-Base interactions energy: -10.784
where: short stacking energy: -10.784
Base-Backbone interact. energy: -0.000
local terms energy: -19.367328
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.215
flat angles P-C4'-P energy: -2.823
tors. eta vs tors. theta energy: -4.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -30.691498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.691498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.691498 (E_RNA)
where:
Base-Base interactions energy: -11.988
where: short stacking energy: -11.988
Base-Backbone interact. energy: -0.038
local terms energy: -18.665029
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -3.595
flat angles P-C4'-P energy: -3.928
tors. eta vs tors. theta energy: -1.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -31.637063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.637063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.637063 (E_RNA)
where:
Base-Base interactions energy: -12.923
where: short stacking energy: -12.923
Base-Backbone interact. energy: -0.000
local terms energy: -18.713752
where:
bonds (distance) C4'-P energy: -3.256
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -4.598
flat angles P-C4'-P energy: -3.314
tors. eta vs tors. theta energy: -2.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -25.661176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.661176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.661176 (E_RNA)
where:
Base-Base interactions energy: -10.951
where: short stacking energy: -4.130
Base-Backbone interact. energy: -0.003
local terms energy: -14.707140
where:
bonds (distance) C4'-P energy: -4.171
bonds (distance) P-C4' energy: -3.981
flat angles C4'-P-C4' energy: -4.246
flat angles P-C4'-P energy: -1.553
tors. eta vs tors. theta energy: -0.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -26.464238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.464238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.464238 (E_RNA)
where:
Base-Base interactions energy: -7.442
where: short stacking energy: -7.442
Base-Backbone interact. energy: -0.000
local terms energy: -19.022086
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -3.548
flat angles P-C4'-P energy: -2.076
tors. eta vs tors. theta energy: -4.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -24.512671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.512671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.512671 (E_RNA)
where:
Base-Base interactions energy: -8.771
where: short stacking energy: -8.771
Base-Backbone interact. energy: -0.000
local terms energy: -15.741190
where:
bonds (distance) C4'-P energy: -4.055
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -1.703
flat angles P-C4'-P energy: -2.657
tors. eta vs tors. theta energy: -2.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -36.908666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.908666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.908666 (E_RNA)
where:
Base-Base interactions energy: -16.839
where: short stacking energy: -16.839
Base-Backbone interact. energy: -0.000
local terms energy: -20.070068
where:
bonds (distance) C4'-P energy: -2.900
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -3.615
flat angles P-C4'-P energy: -3.137
tors. eta vs tors. theta energy: -5.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -35.113643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.113643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.113643 (E_RNA)
where:
Base-Base interactions energy: -21.611
where: short stacking energy: -12.421
Base-Backbone interact. energy: -0.002
local terms energy: -13.500656
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -3.434
flat angles P-C4'-P energy: -2.554
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: 3, replica: 9
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -27.257482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.257482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.257482 (E_RNA)
where:
Base-Base interactions energy: -10.323
where: short stacking energy: -10.284
Base-Backbone interact. energy: -1.053
local terms energy: -15.881485
where:
bonds (distance) C4'-P energy: -3.372
bonds (distance) P-C4' energy: -4.413
flat angles C4'-P-C4' energy: -3.550
flat angles P-C4'-P energy: -3.569
tors. eta vs tors. theta energy: -0.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -30.269775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.269775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.269775 (E_RNA)
where:
Base-Base interactions energy: -12.448
where: short stacking energy: -12.448
Base-Backbone interact. energy: -0.001
local terms energy: -17.820636
where:
bonds (distance) C4'-P energy: -3.699
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -3.354
flat angles P-C4'-P energy: -2.512
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: 5, replica: 6
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -32.558139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.558139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.558139 (E_RNA)
where:
Base-Base interactions energy: -12.740
where: short stacking energy: -12.740
Base-Backbone interact. energy: -0.000
local terms energy: -19.817675
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.479
flat angles P-C4'-P energy: -3.397
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: 6, replica: 2
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -28.650151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.650151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.650151 (E_RNA)
where:
Base-Base interactions energy: -9.472
where: short stacking energy: -9.472
Base-Backbone interact. energy: -0.000
local terms energy: -19.178547
where:
bonds (distance) C4'-P energy: -3.745
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -4.553
flat angles P-C4'-P energy: -3.057
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: 7, replica: 3
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -31.364310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.364310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.364310 (E_RNA)
where:
Base-Base interactions energy: -12.568
where: short stacking energy: -12.568
Base-Backbone interact. energy: -0.000
local terms energy: -18.796634
where:
bonds (distance) C4'-P energy: -3.645
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.060
flat angles P-C4'-P energy: -2.038
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: 8, replica: 10
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -22.302307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.302307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.302307 (E_RNA)
where:
Base-Base interactions energy: -5.082
where: short stacking energy: -4.963
Base-Backbone interact. energy: -0.004
local terms energy: -17.216117
where:
bonds (distance) C4'-P energy: -3.363
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -4.737
flat angles P-C4'-P energy: -3.344
tors. eta vs tors. theta energy: -0.676
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: 9, replica: 4
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -28.293639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.293639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.293639 (E_RNA)
where:
Base-Base interactions energy: -12.242
where: short stacking energy: -12.242
Base-Backbone interact. energy: -0.000
local terms energy: -16.051450
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -3.336
flat angles C4'-P-C4' energy: -2.866
flat angles P-C4'-P energy: -2.377
tors. eta vs tors. theta energy: -2.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -23.963311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.963311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.963311 (E_RNA)
where:
Base-Base interactions energy: -7.864
where: short stacking energy: -7.864
Base-Backbone interact. energy: -0.007
local terms energy: -16.092297
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -3.744
flat angles P-C4'-P energy: -3.369
tors. eta vs tors. theta energy: 0.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -31.576795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.576795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.576795 (E_RNA)
where:
Base-Base interactions energy: -12.300
where: short stacking energy: -12.300
Base-Backbone interact. energy: -0.000
local terms energy: -19.277225
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -4.770
flat angles P-C4'-P energy: -2.358
tors. eta vs tors. theta energy: -3.392
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: 7
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -35.304265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.304265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.304265 (E_RNA)
where:
Base-Base interactions energy: -17.466
where: short stacking energy: -8.532
Base-Backbone interact. energy: -0.195
local terms energy: -17.643497
where:
bonds (distance) C4'-P energy: -3.487
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -3.941
flat angles P-C4'-P energy: -3.326
tors. eta vs tors. theta energy: -1.531
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: 9
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -31.659928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.659928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.659928 (E_RNA)
where:
Base-Base interactions energy: -12.394
where: short stacking energy: -12.394
Base-Backbone interact. energy: -0.000
local terms energy: -19.266360
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.674
flat angles C4'-P-C4' energy: -4.032
flat angles P-C4'-P energy: -2.029
tors. eta vs tors. theta energy: -4.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -30.582540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.582540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.582540 (E_RNA)
where:
Base-Base interactions energy: -10.799
where: short stacking energy: -8.470
Base-Backbone interact. energy: -0.002
local terms energy: -19.781908
where:
bonds (distance) C4'-P energy: -3.781
bonds (distance) P-C4' energy: -4.579
flat angles C4'-P-C4' energy: -4.470
flat angles P-C4'-P energy: -3.814
tors. eta vs tors. theta energy: -3.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -31.902993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.902993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.902993 (E_RNA)
where:
Base-Base interactions energy: -15.854
where: short stacking energy: -15.854
Base-Backbone interact. energy: -0.000
local terms energy: -16.048513
where:
bonds (distance) C4'-P energy: -0.639
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.760
flat angles P-C4'-P energy: -3.807
tors. eta vs tors. theta energy: -3.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -31.856756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.856756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.856756 (E_RNA)
where:
Base-Base interactions energy: -13.403
where: short stacking energy: -13.403
Base-Backbone interact. energy: -0.000
local terms energy: -18.453431
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -4.044
flat angles C4'-P-C4' energy: -3.864
flat angles P-C4'-P energy: -1.566
tors. eta vs tors. theta energy: -4.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -29.033973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.033973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.033973 (E_RNA)
where:
Base-Base interactions energy: -12.337
where: short stacking energy: -12.337
Base-Backbone interact. energy: -0.000
local terms energy: -16.696566
where:
bonds (distance) C4'-P energy: -3.256
bonds (distance) P-C4' energy: -4.406
flat angles C4'-P-C4' energy: -4.167
flat angles P-C4'-P energy: -2.172
tors. eta vs tors. theta energy: -2.695
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: 10
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -30.332424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.332424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.332424 (E_RNA)
where:
Base-Base interactions energy: -11.266
where: short stacking energy: -11.266
Base-Backbone interact. energy: -0.000
local terms energy: -19.066273
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -2.459
flat angles P-C4'-P energy: -3.237
tors. eta vs tors. theta energy: -4.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -25.880993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.880993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.880993 (E_RNA)
where:
Base-Base interactions energy: -8.569
where: short stacking energy: -8.569
Base-Backbone interact. energy: -0.002
local terms energy: -17.309814
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.441
flat angles C4'-P-C4' energy: -2.590
flat angles P-C4'-P energy: -3.044
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: 10, replica: 1
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -25.889208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.889208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.889208 (E_RNA)
where:
Base-Base interactions energy: -6.663
where: short stacking energy: -6.663
Base-Backbone interact. energy: -0.000
local terms energy: -19.226340
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.872
flat angles P-C4'-P energy: -2.822
tors. eta vs tors. theta energy: -2.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -37.805176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.805176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.805176 (E_RNA)
where:
Base-Base interactions energy: -17.431
where: short stacking energy: -17.431
Base-Backbone interact. energy: -0.000
local terms energy: -20.373703
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.351
flat angles P-C4'-P energy: -2.419
tors. eta vs tors. theta energy: -5.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -28.126496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.126496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.126496 (E_RNA)
where:
Base-Base interactions energy: -14.448
where: short stacking energy: -9.540
Base-Backbone interact. energy: 1.492
local terms energy: -15.169594
where:
bonds (distance) C4'-P energy: -3.078
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -3.870
flat angles P-C4'-P energy: -2.533
tors. eta vs tors. theta energy: -1.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -26.543425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.543425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.543425 (E_RNA)
where:
Base-Base interactions energy: -9.886
where: short stacking energy: -9.886
Base-Backbone interact. energy: -0.000
local terms energy: -16.657777
where:
bonds (distance) C4'-P energy: -4.233
bonds (distance) P-C4' energy: -4.600
flat angles C4'-P-C4' energy: -4.045
flat angles P-C4'-P energy: -3.071
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: 4, replica: 9
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -29.065500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.065500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.065500 (E_RNA)
where:
Base-Base interactions energy: -13.541
where: short stacking energy: -8.909
Base-Backbone interact. energy: -0.071
local terms energy: -15.453279
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -3.364
flat angles C4'-P-C4' energy: -3.591
flat angles P-C4'-P energy: -3.033
tors. eta vs tors. theta energy: -1.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -26.271401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.271401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.271401 (E_RNA)
where:
Base-Base interactions energy: -8.708
where: short stacking energy: -8.708
Base-Backbone interact. energy: -0.000
local terms energy: -17.563164
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.034
flat angles P-C4'-P energy: -2.292
tors. eta vs tors. theta energy: -1.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -29.318777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.318777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.318777 (E_RNA)
where:
Base-Base interactions energy: -11.814
where: short stacking energy: -11.814
Base-Backbone interact. energy: -0.000
local terms energy: -17.504668
where:
bonds (distance) C4'-P energy: -3.045
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.464
flat angles P-C4'-P energy: -2.180
tors. eta vs tors. theta energy: -3.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -27.061759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.061759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.061759 (E_RNA)
where:
Base-Base interactions energy: -7.824
where: short stacking energy: -7.824
Base-Backbone interact. energy: -0.000
local terms energy: -19.237509
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -3.287
flat angles P-C4'-P energy: -3.259
tors. eta vs tors. theta energy: -3.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -29.301326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.301326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.301326 (E_RNA)
where:
Base-Base interactions energy: -17.176
where: short stacking energy: -17.176
Base-Backbone interact. energy: -0.000
local terms energy: -12.125468
where:
bonds (distance) C4'-P energy: -1.323
bonds (distance) P-C4' energy: 1.288
flat angles C4'-P-C4' energy: -3.719
flat angles P-C4'-P energy: -3.316
tors. eta vs tors. theta energy: -5.055
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: 9, replica: 1
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -29.659284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.659284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.659284 (E_RNA)
where:
Base-Base interactions energy: -10.490
where: short stacking energy: -10.490
Base-Backbone interact. energy: -0.000
local terms energy: -19.169086
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -4.406
flat angles C4'-P-C4' energy: -3.907
flat angles P-C4'-P energy: -3.453
tors. eta vs tors. theta energy: -3.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -26.143966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.143966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.143966 (E_RNA)
where:
Base-Base interactions energy: -9.752
where: short stacking energy: -9.752
Base-Backbone interact. energy: -0.008
local terms energy: -16.383711
where:
bonds (distance) C4'-P energy: -3.256
bonds (distance) P-C4' energy: -4.628
flat angles C4'-P-C4' energy: -3.622
flat angles P-C4'-P energy: -3.701
tors. eta vs tors. theta energy: -1.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -31.975088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.975088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.975088 (E_RNA)
where:
Base-Base interactions energy: -12.849
where: short stacking energy: -12.849
Base-Backbone interact. energy: -0.002
local terms energy: -19.124115
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.060
flat angles P-C4'-P energy: -2.341
tors. eta vs tors. theta energy: -3.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -31.280003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.280003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.280003 (E_RNA)
where:
Base-Base interactions energy: -11.277
where: short stacking energy: -11.277
Base-Backbone interact. energy: -0.000
local terms energy: -20.002427
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -4.365
flat angles P-C4'-P energy: -2.888
tors. eta vs tors. theta energy: -3.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -31.497896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.497896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.497896 (E_RNA)
where:
Base-Base interactions energy: -13.096
where: short stacking energy: -13.096
Base-Backbone interact. energy: -0.008
local terms energy: -18.393921
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -4.538
flat angles P-C4'-P energy: -2.414
tors. eta vs tors. theta energy: -2.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -35.908837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.908837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.908837 (E_RNA)
where:
Base-Base interactions energy: -16.283
where: short stacking energy: -16.283
Base-Backbone interact. energy: -0.000
local terms energy: -19.625973
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.080
flat angles P-C4'-P energy: -3.559
tors. eta vs tors. theta energy: -3.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -33.427681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.427681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.427681 (E_RNA)
where:
Base-Base interactions energy: -14.413
where: short stacking energy: -7.883
Base-Backbone interact. energy: -0.006
local terms energy: -19.008700
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.629
flat angles P-C4'-P energy: -2.838
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: 6, replica: 10
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -29.175851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.175851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.175851 (E_RNA)
where:
Base-Base interactions energy: -11.139
where: short stacking energy: -11.139
Base-Backbone interact. energy: -0.000
local terms energy: -18.036822
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -3.332
flat angles P-C4'-P energy: -2.022
tors. eta vs tors. theta energy: -3.404
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: 7, replica: 5
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -32.891670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.891670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.891670 (E_RNA)
where:
Base-Base interactions energy: -14.204
where: short stacking energy: -14.204
Base-Backbone interact. energy: -0.000
local terms energy: -18.687459
where:
bonds (distance) C4'-P energy: -2.564
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -4.519
flat angles P-C4'-P energy: -2.921
tors. eta vs tors. theta energy: -4.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -33.908435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.908435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.908435 (E_RNA)
where:
Base-Base interactions energy: -17.290
where: short stacking energy: -17.290
Base-Backbone interact. energy: -0.000
local terms energy: -16.618003
where:
bonds (distance) C4'-P energy: 0.702
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.425
flat angles P-C4'-P energy: -3.870
tors. eta vs tors. theta energy: -5.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -27.015906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.015906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.015906 (E_RNA)
where:
Base-Base interactions energy: -11.784
where: short stacking energy: -11.784
Base-Backbone interact. energy: -0.000
local terms energy: -15.231327
where:
bonds (distance) C4'-P energy: -1.082
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.137
flat angles P-C4'-P energy: -2.296
tors. eta vs tors. theta energy: -2.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -26.175519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.175519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.175519 (E_RNA)
where:
Base-Base interactions energy: -7.494
where: short stacking energy: -7.494
Base-Backbone interact. energy: -0.000
local terms energy: -18.681755
where:
bonds (distance) C4'-P energy: -3.256
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.202
flat angles P-C4'-P energy: -2.170
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: 1, replica: 7
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -38.711827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.711827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.711827 (E_RNA)
where:
Base-Base interactions energy: -15.884
where: short stacking energy: -15.884
Base-Backbone interact. energy: -0.000
local terms energy: -22.827608
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -3.851
flat angles P-C4'-P energy: -4.080
tors. eta vs tors. theta energy: -5.029
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: 6
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -29.925960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.925960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.925960 (E_RNA)
where:
Base-Base interactions energy: -12.520
where: short stacking energy: -12.520
Base-Backbone interact. energy: -0.000
local terms energy: -17.405466
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -2.448
flat angles C4'-P-C4' energy: -4.279
flat angles P-C4'-P energy: -3.506
tors. eta vs tors. theta energy: -3.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -35.565137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.565137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.565137 (E_RNA)
where:
Base-Base interactions energy: -15.793
where: short stacking energy: -15.793
Base-Backbone interact. energy: -0.000
local terms energy: -19.772312
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.940
flat angles P-C4'-P energy: -2.001
tors. eta vs tors. theta energy: -4.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -35.301399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.301399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.301399 (E_RNA)
where:
Base-Base interactions energy: -16.285
where: short stacking energy: -16.285
Base-Backbone interact. energy: -0.000
local terms energy: -19.016149
where:
bonds (distance) C4'-P energy: -4.154
bonds (distance) P-C4' energy: -3.553
flat angles C4'-P-C4' energy: -3.679
flat angles P-C4'-P energy: -2.569
tors. eta vs tors. theta energy: -5.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -28.617540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.617540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.617540 (E_RNA)
where:
Base-Base interactions energy: -11.564
where: short stacking energy: -11.564
Base-Backbone interact. energy: -0.000
local terms energy: -17.053864
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.653
flat angles C4'-P-C4' energy: -3.775
flat angles P-C4'-P energy: -0.364
tors. eta vs tors. theta energy: -3.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -31.824443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.824443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.824443 (E_RNA)
where:
Base-Base interactions energy: -13.452
where: short stacking energy: -13.452
Base-Backbone interact. energy: -0.000
local terms energy: -18.372126
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -3.921
flat angles P-C4'-P energy: -3.928
tors. eta vs tors. theta energy: -1.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -30.099093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.099093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.099093 (E_RNA)
where:
Base-Base interactions energy: -14.236
where: short stacking energy: -14.236
Base-Backbone interact. energy: -0.000
local terms energy: -15.863265
where:
bonds (distance) C4'-P energy: -2.423
bonds (distance) P-C4' energy: -3.730
flat angles C4'-P-C4' energy: -3.802
flat angles P-C4'-P energy: -1.980
tors. eta vs tors. theta energy: -3.929
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: 5
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -31.237838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.237838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.237838 (E_RNA)
where:
Base-Base interactions energy: -12.213
where: short stacking energy: -12.213
Base-Backbone interact. energy: -0.000
local terms energy: -19.025062
where:
bonds (distance) C4'-P energy: -3.169
bonds (distance) P-C4' energy: -3.818
flat angles C4'-P-C4' energy: -4.540
flat angles P-C4'-P energy: -2.694
tors. eta vs tors. theta energy: -4.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -26.351499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.351499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.351499 (E_RNA)
where:
Base-Base interactions energy: -7.063
where: short stacking energy: -6.303
Base-Backbone interact. energy: -0.000
local terms energy: -19.288062
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.936
flat angles P-C4'-P energy: -3.285
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: 10, replica: 2
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -29.612070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.612070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.612070 (E_RNA)
where:
Base-Base interactions energy: -11.344
where: short stacking energy: -11.176
Base-Backbone interact. energy: -0.000
local terms energy: -18.268407
where:
bonds (distance) C4'-P energy: -3.198
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.885
flat angles P-C4'-P energy: -2.229
tors. eta vs tors. theta energy: -3.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -38.073255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.073255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.073255 (E_RNA)
where:
Base-Base interactions energy: -16.890
where: short stacking energy: -16.890
Base-Backbone interact. energy: -0.000
local terms energy: -21.182787
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -4.572
flat angles C4'-P-C4' energy: -4.027
flat angles P-C4'-P energy: -3.235
tors. eta vs tors. theta energy: -5.418
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: 3
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -33.380428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.380428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.380428 (E_RNA)
where:
Base-Base interactions energy: -14.134
where: short stacking energy: -14.134
Base-Backbone interact. energy: -0.000
local terms energy: -19.246033
where:
bonds (distance) C4'-P energy: -3.148
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.207
flat angles P-C4'-P energy: -3.618
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: 3, replica: 6
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -32.595496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.595496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.595496 (E_RNA)
where:
Base-Base interactions energy: -13.627
where: short stacking energy: -13.627
Base-Backbone interact. energy: -0.000
local terms energy: -18.968832
where:
bonds (distance) C4'-P energy: -2.751
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -3.587
flat angles P-C4'-P energy: -3.385
tors. eta vs tors. theta energy: -4.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -32.578050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.578050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.578050 (E_RNA)
where:
Base-Base interactions energy: -12.784
where: short stacking energy: -12.784
Base-Backbone interact. energy: -0.000
local terms energy: -19.793755
where:
bonds (distance) C4'-P energy: -3.451
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.559
flat angles P-C4'-P energy: -3.333
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: 5, replica: 8
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -36.590143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.590143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.590143 (E_RNA)
where:
Base-Base interactions energy: -21.056
where: short stacking energy: -12.932
Base-Backbone interact. energy: -0.001
local terms energy: -15.533307
where:
bonds (distance) C4'-P energy: -3.152
bonds (distance) P-C4' energy: -4.205
flat angles C4'-P-C4' energy: -4.713
flat angles P-C4'-P energy: -2.972
tors. eta vs tors. theta energy: -0.490
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: 9
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -26.297156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.297156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.297156 (E_RNA)
where:
Base-Base interactions energy: -9.528
where: short stacking energy: -9.528
Base-Backbone interact. energy: -0.002
local terms energy: -16.766607
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -2.540
flat angles P-C4'-P energy: -3.641
tors. eta vs tors. theta energy: -1.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -30.273880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.273880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.273880 (E_RNA)
where:
Base-Base interactions energy: -13.019
where: short stacking energy: -13.019
Base-Backbone interact. energy: -0.000
local terms energy: -17.255270
where:
bonds (distance) C4'-P energy: -4.009
bonds (distance) P-C4' energy: -4.047
flat angles C4'-P-C4' energy: -4.466
flat angles P-C4'-P energy: -1.966
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: 8, replica: 4
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -26.842607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.842607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.842607 (E_RNA)
where:
Base-Base interactions energy: -11.203
where: short stacking energy: -11.203
Base-Backbone interact. energy: -0.058
local terms energy: -15.581375
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -3.106
flat angles C4'-P-C4' energy: -3.675
flat angles P-C4'-P energy: -2.289
tors. eta vs tors. theta energy: -2.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -30.794428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.794428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.794428 (E_RNA)
where:
Base-Base interactions energy: -12.904
where: short stacking energy: -12.904
Base-Backbone interact. energy: -0.000
local terms energy: -17.890460
where:
bonds (distance) C4'-P energy: -2.842
bonds (distance) P-C4' energy: -3.557
flat angles C4'-P-C4' energy: -4.354
flat angles P-C4'-P energy: -3.681
tors. eta vs tors. theta energy: -3.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -30.168846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.168846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.168846 (E_RNA)
where:
Base-Base interactions energy: -15.452
where: short stacking energy: -8.629
Base-Backbone interact. energy: 0.318
local terms energy: -15.033997
where:
bonds (distance) C4'-P energy: -3.317
bonds (distance) P-C4' energy: -3.364
flat angles C4'-P-C4' energy: -2.986
flat angles P-C4'-P energy: -3.240
tors. eta vs tors. theta energy: -2.127
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: 1, replica: 7
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -37.368650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.368650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.368650 (E_RNA)
where:
Base-Base interactions energy: -16.993
where: short stacking energy: -16.993
Base-Backbone interact. energy: -0.000
local terms energy: -20.375563
where:
bonds (distance) C4'-P energy: -2.900
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.435
flat angles P-C4'-P energy: -3.355
tors. eta vs tors. theta energy: -4.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -37.344016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.344016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.344016 (E_RNA)
where:
Base-Base interactions energy: -16.334
where: short stacking energy: -16.334
Base-Backbone interact. energy: -0.000
local terms energy: -21.010198
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -4.603
flat angles C4'-P-C4' energy: -4.028
flat angles P-C4'-P energy: -2.819
tors. eta vs tors. theta energy: -5.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -30.941823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.941823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.941823 (E_RNA)
where:
Base-Base interactions energy: -12.411
where: short stacking energy: -12.411
Base-Backbone interact. energy: -0.009
local terms energy: -18.521969
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -4.113
flat angles P-C4'-P energy: -3.976
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: 4, replica: 6
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -30.829244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.829244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.829244 (E_RNA)
where:
Base-Base interactions energy: -10.825
where: short stacking energy: -10.825
Base-Backbone interact. energy: -0.000
local terms energy: -20.003804
where:
bonds (distance) C4'-P energy: -3.397
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -4.573
flat angles P-C4'-P energy: -2.795
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: 5, replica: 8
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -27.941717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.941717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.941717 (E_RNA)
where:
Base-Base interactions energy: -11.566
where: short stacking energy: -11.566
Base-Backbone interact. energy: -0.000
local terms energy: -16.375366
where:
bonds (distance) C4'-P energy: -3.753
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -3.406
flat angles P-C4'-P energy: -2.625
tors. eta vs tors. theta energy: -2.156
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: 9
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -24.271744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.271744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.271744 (E_RNA)
where:
Base-Base interactions energy: -5.786
where: short stacking energy: -5.786
Base-Backbone interact. energy: -0.900
local terms energy: -17.585964
where:
bonds (distance) C4'-P energy: -3.541
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -3.749
flat angles P-C4'-P energy: -2.807
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: 4
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -26.132461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.132461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.132461 (E_RNA)
where:
Base-Base interactions energy: -9.964
where: short stacking energy: -9.964
Base-Backbone interact. energy: -0.000
local terms energy: -16.168432
where:
bonds (distance) C4'-P energy: -4.332
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -1.355
flat angles P-C4'-P energy: -2.972
tors. eta vs tors. theta energy: -2.842
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: 60
Temperature: 1.250000
Total energy: -30.509004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.509004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.509004 (E_RNA)
where:
Base-Base interactions energy: -13.321
where: short stacking energy: -13.321
Base-Backbone interact. energy: -0.008
local terms energy: -17.180062
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -5.132
flat angles C4'-P-C4' energy: -3.870
flat angles P-C4'-P energy: -2.577
tors. eta vs tors. theta energy: -1.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -23.602691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.602691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.602691 (E_RNA)
where:
Base-Base interactions energy: -8.200
where: short stacking energy: -7.258
Base-Backbone interact. energy: -0.092
local terms energy: -15.310739
where:
bonds (distance) C4'-P energy: -1.261
bonds (distance) P-C4' energy: -4.406
flat angles C4'-P-C4' energy: -4.643
flat angles P-C4'-P energy: -3.037
tors. eta vs tors. theta energy: -1.963
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: 10, replica: 5
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -23.624805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.624805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.624805 (E_RNA)
where:
Base-Base interactions energy: -10.758
where: short stacking energy: -10.758
Base-Backbone interact. energy: -0.000
local terms energy: -12.866474
where:
bonds (distance) C4'-P energy: -2.395
bonds (distance) P-C4' energy: -3.297
flat angles C4'-P-C4' energy: -3.617
flat angles P-C4'-P energy: -1.930
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: 1, replica: 7
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -32.793700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.793700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.793700 (E_RNA)
where:
Base-Base interactions energy: -12.305
where: short stacking energy: -12.305
Base-Backbone interact. energy: -0.000
local terms energy: -20.489175
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.260
flat angles P-C4'-P energy: -3.029
tors. eta vs tors. theta energy: -3.696
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: 3
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -36.934435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.934435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.934435 (E_RNA)
where:
Base-Base interactions energy: -17.125
where: short stacking energy: -17.125
Base-Backbone interact. energy: -0.000
local terms energy: -19.809811
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.085
flat angles C4'-P-C4' energy: -4.491
flat angles P-C4'-P energy: -1.972
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: 3, replica: 10
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -27.704924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.704924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.704924 (E_RNA)
where:
Base-Base interactions energy: -9.786
where: short stacking energy: -8.748
Base-Backbone interact. energy: -0.001
local terms energy: -17.917791
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -4.453
flat angles P-C4'-P energy: -3.625
tors. eta vs tors. theta energy: -0.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -30.144657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.144657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.144657 (E_RNA)
where:
Base-Base interactions energy: -16.202
where: short stacking energy: -16.202
Base-Backbone interact. energy: -0.001
local terms energy: -13.941878
where:
bonds (distance) C4'-P energy: -3.637
bonds (distance) P-C4' energy: -1.827
flat angles C4'-P-C4' energy: -4.534
flat angles P-C4'-P energy: -2.109
tors. eta vs tors. theta energy: -1.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -30.815727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.815727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.815727 (E_RNA)
where:
Base-Base interactions energy: -12.276
where: short stacking energy: -12.276
Base-Backbone interact. energy: -0.009
local terms energy: -18.530635
where:
bonds (distance) C4'-P energy: -2.722
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.756
flat angles P-C4'-P energy: -3.605
tors. eta vs tors. theta energy: -3.354
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: 4
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -28.318788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.318788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.318788 (E_RNA)
where:
Base-Base interactions energy: -11.353
where: short stacking energy: -11.353
Base-Backbone interact. energy: -0.000
local terms energy: -16.966002
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -3.582
flat angles C4'-P-C4' energy: -3.805
flat angles P-C4'-P energy: -2.739
tors. eta vs tors. theta energy: -2.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -26.985775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.985775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.985775 (E_RNA)
where:
Base-Base interactions energy: -13.857
where: short stacking energy: -13.857
Base-Backbone interact. energy: -0.000
local terms energy: -13.129232
where:
bonds (distance) C4'-P energy: -2.867
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -3.109
flat angles P-C4'-P energy: 0.841
tors. eta vs tors. theta energy: -2.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -28.266857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.266857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.266857 (E_RNA)
where:
Base-Base interactions energy: -11.376
where: short stacking energy: -11.376
Base-Backbone interact. energy: -0.000
local terms energy: -16.890941
where:
bonds (distance) C4'-P energy: -4.303
bonds (distance) P-C4' energy: -4.674
flat angles C4'-P-C4' energy: -3.684
flat angles P-C4'-P energy: -2.408
tors. eta vs tors. theta energy: -1.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -29.339453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.339453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.339453 (E_RNA)
where:
Base-Base interactions energy: -12.702
where: short stacking energy: -12.702
Base-Backbone interact. energy: -0.000
local terms energy: -16.637148
where:
bonds (distance) C4'-P energy: -3.450
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -4.835
flat angles P-C4'-P energy: -1.711
tors. eta vs tors. theta energy: -2.442
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: 5
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -24.527015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.527015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.527015 (E_RNA)
where:
Base-Base interactions energy: -8.666
where: short stacking energy: -8.666
Base-Backbone interact. energy: -0.093
local terms energy: -15.767965
where:
bonds (distance) C4'-P energy: -4.634
bonds (distance) P-C4' energy: -3.984
flat angles C4'-P-C4' energy: -3.493
flat angles P-C4'-P energy: -0.680
tors. eta vs tors. theta energy: -2.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -31.546817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.546817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.546817 (E_RNA)
where:
Base-Base interactions energy: -12.103
where: short stacking energy: -12.103
Base-Backbone interact. energy: -0.000
local terms energy: -19.443802
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -3.713
flat angles P-C4'-P energy: -3.270
tors. eta vs tors. theta energy: -3.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -33.414331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.414331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.414331 (E_RNA)
where:
Base-Base interactions energy: -13.739
where: short stacking energy: -13.739
Base-Backbone interact. energy: -0.000
local terms energy: -19.675474
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.525
flat angles P-C4'-P energy: -2.508
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: 3, replica: 8
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -36.030654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.030654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.030654 (E_RNA)
where:
Base-Base interactions energy: -18.556
where: short stacking energy: -13.202
Base-Backbone interact. energy: -0.000
local terms energy: -17.474957
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.606
flat angles P-C4'-P energy: -2.404
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: 4, replica: 10
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -30.565106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.565106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.565106 (E_RNA)
where:
Base-Base interactions energy: -14.027
where: short stacking energy: -14.027
Base-Backbone interact. energy: -0.000
local terms energy: -16.537935
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -2.873
flat angles C4'-P-C4' energy: -4.256
flat angles P-C4'-P energy: -3.063
tors. eta vs tors. theta energy: -1.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -28.522412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.522412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.522412 (E_RNA)
where:
Base-Base interactions energy: -9.590
where: short stacking energy: -9.590
Base-Backbone interact. energy: -0.000
local terms energy: -18.932648
where:
bonds (distance) C4'-P energy: -3.637
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.611
flat angles P-C4'-P energy: -3.473
tors. eta vs tors. theta energy: -2.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -29.336935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.336935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.336935 (E_RNA)
where:
Base-Base interactions energy: -10.188
where: short stacking energy: -10.188
Base-Backbone interact. energy: -0.000
local terms energy: -19.148820
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.570
flat angles P-C4'-P energy: -1.543
tors. eta vs tors. theta energy: -3.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -27.172410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.172410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.172410 (E_RNA)
where:
Base-Base interactions energy: -8.479
where: short stacking energy: -8.479
Base-Backbone interact. energy: -0.026
local terms energy: -18.667367
where:
bonds (distance) C4'-P energy: -3.745
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.874
flat angles P-C4'-P energy: -2.061
tors. eta vs tors. theta energy: -2.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -23.434389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.434389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.434389 (E_RNA)
where:
Base-Base interactions energy: -5.252
where: short stacking energy: -5.098
Base-Backbone interact. energy: -0.053
local terms energy: -18.129095
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.628
flat angles C4'-P-C4' energy: -4.407
flat angles P-C4'-P energy: -4.125
tors. eta vs tors. theta energy: -0.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -26.775481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.775481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.775481 (E_RNA)
where:
Base-Base interactions energy: -10.637
where: short stacking energy: -10.637
Base-Backbone interact. energy: -0.000
local terms energy: -16.138667
where:
bonds (distance) C4'-P energy: -3.053
bonds (distance) P-C4' energy: -4.649
flat angles C4'-P-C4' energy: -4.481
flat angles P-C4'-P energy: 0.791
tors. eta vs tors. theta energy: -4.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -27.064703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.064703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.064703 (E_RNA)
where:
Base-Base interactions energy: -12.123
where: short stacking energy: -12.123
Base-Backbone interact. energy: -0.000
local terms energy: -14.941721
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -3.793
flat angles C4'-P-C4' energy: -2.386
flat angles P-C4'-P energy: -1.980
tors. eta vs tors. theta energy: -2.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -32.374422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.374422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.374422 (E_RNA)
where:
Base-Base interactions energy: -12.497
where: short stacking energy: -12.497
Base-Backbone interact. energy: -0.000
local terms energy: -19.877833
where:
bonds (distance) C4'-P energy: -4.163
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -4.520
flat angles P-C4'-P energy: -2.463
tors. eta vs tors. theta energy: -4.062
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: 8
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -37.051136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.051136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.051136 (E_RNA)
where:
Base-Base interactions energy: -16.955
where: short stacking energy: -16.955
Base-Backbone interact. energy: -0.000
local terms energy: -20.096155
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -4.649
flat angles C4'-P-C4' energy: -4.017
flat angles P-C4'-P energy: -2.357
tors. eta vs tors. theta energy: -4.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -34.509860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.509860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.509860 (E_RNA)
where:
Base-Base interactions energy: -14.718
where: short stacking energy: -14.718
Base-Backbone interact. energy: -0.000
local terms energy: -19.791391
where:
bonds (distance) C4'-P energy: -3.194
bonds (distance) P-C4' energy: -3.981
flat angles C4'-P-C4' energy: -4.261
flat angles P-C4'-P energy: -3.150
tors. eta vs tors. theta energy: -5.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -35.471874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.471874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.471874 (E_RNA)
where:
Base-Base interactions energy: -14.492
where: short stacking energy: -14.492
Base-Backbone interact. energy: -0.000
local terms energy: -20.980238
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.410
flat angles C4'-P-C4' energy: -4.731
flat angles P-C4'-P energy: -2.939
tors. eta vs tors. theta energy: -4.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -28.932265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.932265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.932265 (E_RNA)
where:
Base-Base interactions energy: -12.390
where: short stacking energy: -12.390
Base-Backbone interact. energy: -0.000
local terms energy: -16.541790
where:
bonds (distance) C4'-P energy: -3.541
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -4.265
flat angles P-C4'-P energy: -0.112
tors. eta vs tors. theta energy: -3.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -31.797775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.797775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.797775 (E_RNA)
where:
Base-Base interactions energy: -16.376
where: short stacking energy: -16.376
Base-Backbone interact. energy: -0.000
local terms energy: -15.422160
where:
bonds (distance) C4'-P energy: -2.271
bonds (distance) P-C4' energy: -4.149
flat angles C4'-P-C4' energy: -3.550
flat angles P-C4'-P energy: -1.713
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: 7, replica: 6
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -25.305522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.305522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.305522 (E_RNA)
where:
Base-Base interactions energy: -8.071
where: short stacking energy: -8.071
Base-Backbone interact. energy: -0.000
local terms energy: -17.233954
where:
bonds (distance) C4'-P energy: -3.781
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -3.854
flat angles P-C4'-P energy: -1.663
tors. eta vs tors. theta energy: -3.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -28.765859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.765859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.765859 (E_RNA)
where:
Base-Base interactions energy: -9.890
where: short stacking energy: -9.890
Base-Backbone interact. energy: -0.000
local terms energy: -18.876056
where:
bonds (distance) C4'-P energy: -3.161
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -2.354
flat angles P-C4'-P energy: -3.807
tors. eta vs tors. theta energy: -4.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -24.577862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.577862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.577862 (E_RNA)
where:
Base-Base interactions energy: -10.125
where: short stacking energy: -10.125
Base-Backbone interact. energy: -0.000
local terms energy: -14.453068
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.051
flat angles C4'-P-C4' energy: -0.840
flat angles P-C4'-P energy: -2.071
tors. eta vs tors. theta energy: -2.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -29.141313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.141313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.141313 (E_RNA)
where:
Base-Base interactions energy: -12.518
where: short stacking energy: -12.518
Base-Backbone interact. energy: -0.000
local terms energy: -16.623376
where:
bonds (distance) C4'-P energy: -3.161
bonds (distance) P-C4' energy: -3.815
flat angles C4'-P-C4' energy: -4.275
flat angles P-C4'-P energy: -2.979
tors. eta vs tors. theta energy: -2.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -40.162740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.162740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.162740 (E_RNA)
where:
Base-Base interactions energy: -17.993
where: short stacking energy: -17.993
Base-Backbone interact. energy: -0.000
local terms energy: -22.170108
where:
bonds (distance) C4'-P energy: -4.233
bonds (distance) P-C4' energy: -5.361
flat angles C4'-P-C4' energy: -4.168
flat angles P-C4'-P energy: -3.873
tors. eta vs tors. theta energy: -4.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -36.799321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.799321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.799321 (E_RNA)
where:
Base-Base interactions energy: -16.164
where: short stacking energy: -16.164
Base-Backbone interact. energy: -0.000
local terms energy: -20.635562
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -3.409
flat angles P-C4'-P energy: -3.948
tors. eta vs tors. theta energy: -3.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -35.457691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.457691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.457691 (E_RNA)
where:
Base-Base interactions energy: -17.169
where: short stacking energy: -17.169
Base-Backbone interact. energy: -0.000
local terms energy: -18.288519
where:
bonds (distance) C4'-P energy: -2.954
bonds (distance) P-C4' energy: -4.174
flat angles C4'-P-C4' energy: -4.080
flat angles P-C4'-P energy: -1.762
tors. eta vs tors. theta energy: -5.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -32.092085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.092085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.092085 (E_RNA)
where:
Base-Base interactions energy: -14.323
where: short stacking energy: -12.331
Base-Backbone interact. energy: -0.001
local terms energy: -17.768427
where:
bonds (distance) C4'-P energy: -3.372
bonds (distance) P-C4' energy: -4.085
flat angles C4'-P-C4' energy: -3.874
flat angles P-C4'-P energy: -3.124
tors. eta vs tors. theta energy: -3.315
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: 2
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -32.154542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.154542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.154542 (E_RNA)
where:
Base-Base interactions energy: -12.234
where: short stacking energy: -12.234
Base-Backbone interact. energy: -0.000
local terms energy: -19.920765
where:
bonds (distance) C4'-P energy: -2.962
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -4.206
flat angles P-C4'-P energy: -2.981
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: 6, replica: 10
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -28.116319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.116319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.116319 (E_RNA)
where:
Base-Base interactions energy: -12.868
where: short stacking energy: -12.868
Base-Backbone interact. energy: -0.000
local terms energy: -15.247913
where:
bonds (distance) C4'-P energy: -2.892
bonds (distance) P-C4' energy: -4.137
flat angles C4'-P-C4' energy: -4.173
flat angles P-C4'-P energy: -1.028
tors. eta vs tors. theta energy: -3.018
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: 1
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -29.656548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.656548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.656548 (E_RNA)
where:
Base-Base interactions energy: -12.849
where: short stacking energy: -12.849
Base-Backbone interact. energy: -0.000
local terms energy: -16.807721
where:
bonds (distance) C4'-P energy: -3.210
bonds (distance) P-C4' energy: -2.150
flat angles C4'-P-C4' energy: -4.435
flat angles P-C4'-P energy: -2.986
tors. eta vs tors. theta energy: -4.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -27.009579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.009579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.009579 (E_RNA)
where:
Base-Base interactions energy: -8.746
where: short stacking energy: -8.746
Base-Backbone interact. energy: -0.015
local terms energy: -18.248752
where:
bonds (distance) C4'-P energy: -3.939
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.358
flat angles P-C4'-P energy: -2.925
tors. eta vs tors. theta energy: -1.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -23.618286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.618286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.618286 (E_RNA)
where:
Base-Base interactions energy: -9.041
where: short stacking energy: -9.041
Base-Backbone interact. energy: -0.000
local terms energy: -14.577433
where:
bonds (distance) C4'-P energy: -2.209
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.067
flat angles P-C4'-P energy: -1.501
tors. eta vs tors. theta energy: -2.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -27.848360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.848360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.848360 (E_RNA)
where:
Base-Base interactions energy: -12.315
where: short stacking energy: -7.283
Base-Backbone interact. energy: -0.025
local terms energy: -15.508086
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.082
flat angles C4'-P-C4' energy: -3.302
flat angles P-C4'-P energy: -3.135
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: 1, replica: 8
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -38.354190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.354190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.354190 (E_RNA)
where:
Base-Base interactions energy: -17.037
where: short stacking energy: -17.037
Base-Backbone interact. energy: -0.000
local terms energy: -21.317216
where:
bonds (distance) C4'-P energy: -3.061
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -4.820
flat angles P-C4'-P energy: -2.910
tors. eta vs tors. theta energy: -5.401
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: 7
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -33.403118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.403118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.403118 (E_RNA)
where:
Base-Base interactions energy: -14.711
where: short stacking energy: -14.711
Base-Backbone interact. energy: -0.000
local terms energy: -18.691793
where:
bonds (distance) C4'-P energy: -3.637
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.588
flat angles P-C4'-P energy: -2.754
tors. eta vs tors. theta energy: -3.594
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: 65
Temperature: 1.000000
Total energy: -26.706832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.706832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.706832 (E_RNA)
where:
Base-Base interactions energy: -12.612
where: short stacking energy: -12.612
Base-Backbone interact. energy: -0.001
local terms energy: -14.093981
where:
bonds (distance) C4'-P energy: -4.419
bonds (distance) P-C4' energy: -3.097
flat angles C4'-P-C4' energy: -3.749
flat angles P-C4'-P energy: -1.921
tors. eta vs tors. theta energy: -0.908
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: 2
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -29.023693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.023693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.023693 (E_RNA)
where:
Base-Base interactions energy: -12.795
where: short stacking energy: -12.795
Base-Backbone interact. energy: -0.000
local terms energy: -16.229028
where:
bonds (distance) C4'-P energy: -2.531
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.067
flat angles P-C4'-P energy: -2.357
tors. eta vs tors. theta energy: -3.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -28.457510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.457510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.457510 (E_RNA)
where:
Base-Base interactions energy: -12.118
where: short stacking energy: -12.118
Base-Backbone interact. energy: -0.000
local terms energy: -16.339256
where:
bonds (distance) C4'-P energy: -3.673
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.647
flat angles P-C4'-P energy: -0.105
tors. eta vs tors. theta energy: -2.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -31.333705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.333705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.333705 (E_RNA)
where:
Base-Base interactions energy: -11.530
where: short stacking energy: -11.530
Base-Backbone interact. energy: -0.000
local terms energy: -19.803548
where:
bonds (distance) C4'-P energy: -3.939
bonds (distance) P-C4' energy: -3.755
flat angles C4'-P-C4' energy: -3.906
flat angles P-C4'-P energy: -4.069
tors. eta vs tors. theta energy: -4.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -28.952095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.952095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.952095 (E_RNA)
where:
Base-Base interactions energy: -13.142
where: short stacking energy: -13.142
Base-Backbone interact. energy: -0.000
local terms energy: -15.809489
where:
bonds (distance) C4'-P energy: -3.595
bonds (distance) P-C4' energy: -3.726
flat angles C4'-P-C4' energy: -3.907
flat angles P-C4'-P energy: -2.569
tors. eta vs tors. theta energy: -2.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -27.452785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.452785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.452785 (E_RNA)
where:
Base-Base interactions energy: -10.427
where: short stacking energy: -10.427
Base-Backbone interact. energy: -0.000
local terms energy: -17.025647
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.202
flat angles C4'-P-C4' energy: -3.384
flat angles P-C4'-P energy: -0.774
tors. eta vs tors. theta energy: -4.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -22.250265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.250265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.250265 (E_RNA)
where:
Base-Base interactions energy: -5.560
where: short stacking energy: -5.560
Base-Backbone interact. energy: -0.000
local terms energy: -16.690474
where:
bonds (distance) C4'-P energy: -3.513
bonds (distance) P-C4' energy: -4.311
flat angles C4'-P-C4' energy: -4.628
flat angles P-C4'-P energy: -2.987
tors. eta vs tors. theta energy: -1.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -24.793423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.793423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.793423 (E_RNA)
where:
Base-Base interactions energy: -8.485
where: short stacking energy: -8.485
Base-Backbone interact. energy: -0.007
local terms energy: -16.302350
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -1.667
flat angles P-C4'-P energy: -3.901
tors. eta vs tors. theta energy: -1.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -33.513889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.513889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.513889 (E_RNA)
where:
Base-Base interactions energy: -16.184
where: short stacking energy: -16.184
Base-Backbone interact. energy: -0.000
local terms energy: -17.329911
where:
bonds (distance) C4'-P energy: -3.558
bonds (distance) P-C4' energy: -3.726
flat angles C4'-P-C4' energy: -2.866
flat angles P-C4'-P energy: -3.160
tors. eta vs tors. theta energy: -4.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -37.850647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.850647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.850647 (E_RNA)
where:
Base-Base interactions energy: -15.975
where: short stacking energy: -15.975
Base-Backbone interact. energy: -0.000
local terms energy: -21.875656
where:
bonds (distance) C4'-P energy: -4.332
bonds (distance) P-C4' energy: -5.104
flat angles C4'-P-C4' energy: -4.170
flat angles P-C4'-P energy: -3.011
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: 3, replica: 2
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -36.440593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.440593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.440593 (E_RNA)
where:
Base-Base interactions energy: -16.930
where: short stacking energy: -16.930
Base-Backbone interact. energy: -0.000
local terms energy: -19.510448
where:
bonds (distance) C4'-P energy: -3.567
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -4.341
flat angles P-C4'-P energy: -2.505
tors. eta vs tors. theta energy: -3.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -32.177633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.177633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.177633 (E_RNA)
where:
Base-Base interactions energy: -18.039
where: short stacking energy: -10.042
Base-Backbone interact. energy: -0.865
local terms energy: -13.273528
where:
bonds (distance) C4'-P energy: -2.080
bonds (distance) P-C4' energy: -3.751
flat angles C4'-P-C4' energy: -4.416
flat angles P-C4'-P energy: -1.856
tors. eta vs tors. theta energy: -1.171
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: 1
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -29.308994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.308994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.308994 (E_RNA)
where:
Base-Base interactions energy: -11.538
where: short stacking energy: -11.538
Base-Backbone interact. energy: -0.000
local terms energy: -17.771037
where:
bonds (distance) C4'-P energy: -3.442
bonds (distance) P-C4' energy: -3.981
flat angles C4'-P-C4' energy: -4.203
flat angles P-C4'-P energy: -2.272
tors. eta vs tors. theta energy: -3.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -30.808562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.808562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.808562 (E_RNA)
where:
Base-Base interactions energy: -14.795
where: short stacking energy: -6.407
Base-Backbone interact. energy: -0.003
local terms energy: -16.011345
where:
bonds (distance) C4'-P energy: -3.430
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.425
flat angles P-C4'-P energy: -3.136
tors. eta vs tors. theta energy: -0.898
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: 66
Temperature: 1.200000
Total energy: -27.726302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.726302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.726302 (E_RNA)
where:
Base-Base interactions energy: -9.248
where: short stacking energy: -9.248
Base-Backbone interact. energy: -0.000
local terms energy: -18.478144
where:
bonds (distance) C4'-P energy: -3.745
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.419
flat angles P-C4'-P energy: -3.392
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: 8, replica: 10
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -22.522561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.522561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.522561 (E_RNA)
where:
Base-Base interactions energy: -6.863
where: short stacking energy: -6.863
Base-Backbone interact. energy: -0.008
local terms energy: -15.652263
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.478
flat angles P-C4'-P energy: -3.348
tors. eta vs tors. theta energy: 0.691
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: 66
Temperature: 1.300000
Total energy: -24.578481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.578481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.578481 (E_RNA)
where:
Base-Base interactions energy: -10.182
where: short stacking energy: -10.182
Base-Backbone interact. energy: -0.000
local terms energy: -14.395976
where:
bonds (distance) C4'-P energy: -4.163
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.377
flat angles P-C4'-P energy: 0.575
tors. eta vs tors. theta energy: -2.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -24.675530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.675530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.675530 (E_RNA)
where:
Base-Base interactions energy: -10.354
where: short stacking energy: -10.354
Base-Backbone interact. energy: -0.000
local terms energy: -14.321225
where:
bonds (distance) C4'-P energy: -4.171
bonds (distance) P-C4' energy: -4.572
flat angles C4'-P-C4' energy: -0.462
flat angles P-C4'-P energy: -1.968
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: 1, replica: 7
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -37.312694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.312694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.312694 (E_RNA)
where:
Base-Base interactions energy: -17.458
where: short stacking energy: -17.458
Base-Backbone interact. energy: -0.000
local terms energy: -19.854692
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -2.864
flat angles P-C4'-P energy: -2.603
tors. eta vs tors. theta energy: -4.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -38.951119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.951119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.951119 (E_RNA)
where:
Base-Base interactions energy: -16.829
where: short stacking energy: -16.829
Base-Backbone interact. energy: -0.000
local terms energy: -22.122235
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.731
flat angles P-C4'-P energy: -2.816
tors. eta vs tors. theta energy: -5.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -33.167520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.167520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.167520 (E_RNA)
where:
Base-Base interactions energy: -12.990
where: short stacking energy: -12.990
Base-Backbone interact. energy: -0.000
local terms energy: -20.177902
where:
bonds (distance) C4'-P energy: -4.055
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -4.632
flat angles P-C4'-P energy: -3.865
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: 4, replica: 1
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -32.655453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.655453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.655453 (E_RNA)
where:
Base-Base interactions energy: -14.361
where: short stacking energy: -14.361
Base-Backbone interact. energy: -0.000
local terms energy: -18.294842
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.964
flat angles P-C4'-P energy: -3.001
tors. eta vs tors. theta energy: -2.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -30.716334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.716334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.716334 (E_RNA)
where:
Base-Base interactions energy: -13.854
where: short stacking energy: -13.854
Base-Backbone interact. energy: -0.000
local terms energy: -16.862754
where:
bonds (distance) C4'-P energy: -3.923
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -2.904
flat angles P-C4'-P energy: -1.840
tors. eta vs tors. theta energy: -3.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -29.679696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.679696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.679696 (E_RNA)
where:
Base-Base interactions energy: -11.152
where: short stacking energy: -11.152
Base-Backbone interact. energy: -0.000
local terms energy: -18.527814
where:
bonds (distance) C4'-P energy: -3.753
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.274
flat angles P-C4'-P energy: -2.576
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: 7, replica: 4
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -30.420891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.420891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.420891 (E_RNA)
where:
Base-Base interactions energy: -13.482
where: short stacking energy: -13.482
Base-Backbone interact. energy: -0.000
local terms energy: -16.939199
where:
bonds (distance) C4'-P energy: -3.194
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.615
flat angles P-C4'-P energy: -1.776
tors. eta vs tors. theta energy: -2.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -23.882027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.882027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.882027 (E_RNA)
where:
Base-Base interactions energy: -10.096
where: short stacking energy: -10.096
Base-Backbone interact. energy: -0.067
local terms energy: -13.719104
where:
bonds (distance) C4'-P energy: -2.692
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.856
flat angles P-C4'-P energy: -0.439
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: 9, replica: 10
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -30.677885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.677885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.677885 (E_RNA)
where:
Base-Base interactions energy: -12.859
where: short stacking energy: -12.859
Base-Backbone interact. energy: -0.000
local terms energy: -17.818848
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -4.410
flat angles C4'-P-C4' energy: -3.210
flat angles P-C4'-P energy: -2.577
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: 10, replica: 6
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -28.353193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.353193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.353193 (E_RNA)
where:
Base-Base interactions energy: -12.034
where: short stacking energy: -12.034
Base-Backbone interact. energy: -0.000
local terms energy: -16.318696
where:
bonds (distance) C4'-P energy: -3.053
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -3.309
flat angles P-C4'-P energy: -3.680
tors. eta vs tors. theta energy: -1.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -38.149380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.149380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.149380 (E_RNA)
where:
Base-Base interactions energy: -15.644
where: short stacking energy: -15.644
Base-Backbone interact. energy: -0.000
local terms energy: -22.505644
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.539
flat angles P-C4'-P energy: -3.939
tors. eta vs tors. theta energy: -5.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -34.856526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.856526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.856526 (E_RNA)
where:
Base-Base interactions energy: -19.606
where: short stacking energy: -11.598
Base-Backbone interact. energy: -0.003
local terms energy: -15.247396
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -3.751
flat angles C4'-P-C4' energy: -4.221
flat angles P-C4'-P energy: -2.740
tors. eta vs tors. theta energy: -0.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -31.419633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.419633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.419633 (E_RNA)
where:
Base-Base interactions energy: -12.896
where: short stacking energy: -12.896
Base-Backbone interact. energy: -0.000
local terms energy: -18.523460
where:
bonds (distance) C4'-P energy: -3.372
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.923
flat angles P-C4'-P energy: -2.930
tors. eta vs tors. theta energy: -3.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -33.668949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.668949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.668949 (E_RNA)
where:
Base-Base interactions energy: -15.119
where: short stacking energy: -15.119
Base-Backbone interact. energy: -0.000
local terms energy: -18.550182
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.181
flat angles P-C4'-P energy: -1.583
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: 5, replica: 5
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -29.667566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.667566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.667566 (E_RNA)
where:
Base-Base interactions energy: -14.375
where: short stacking energy: -12.554
Base-Backbone interact. energy: -0.780
local terms energy: -14.513071
where:
bonds (distance) C4'-P energy: -1.969
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -4.116
flat angles P-C4'-P energy: -1.558
tors. eta vs tors. theta energy: -1.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -29.871335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.871335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.871335 (E_RNA)
where:
Base-Base interactions energy: -11.371
where: short stacking energy: -11.041
Base-Backbone interact. energy: -0.000
local terms energy: -18.500644
where:
bonds (distance) C4'-P energy: -4.311
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -3.181
flat angles P-C4'-P energy: -3.770
tors. eta vs tors. theta energy: -2.568
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: 9
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -29.549532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.549532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.549532 (E_RNA)
where:
Base-Base interactions energy: -12.233
where: short stacking energy: -12.233
Base-Backbone interact. energy: -0.000
local terms energy: -17.316034
where:
bonds (distance) C4'-P energy: -1.873
bonds (distance) P-C4' energy: -3.889
flat angles C4'-P-C4' energy: -3.800
flat angles P-C4'-P energy: -3.666
tors. eta vs tors. theta energy: -4.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -25.925254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.925254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.925254 (E_RNA)
where:
Base-Base interactions energy: -7.851
where: short stacking energy: -7.851
Base-Backbone interact. energy: -0.000
local terms energy: -18.074221
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -2.833
flat angles P-C4'-P energy: -3.122
tors. eta vs tors. theta energy: -3.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -25.313981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.313981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.313981 (E_RNA)
where:
Base-Base interactions energy: -11.327
where: short stacking energy: -11.327
Base-Backbone interact. energy: -0.001
local terms energy: -13.985868
where:
bonds (distance) C4'-P energy: -1.686
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.122
flat angles P-C4'-P energy: -0.909
tors. eta vs tors. theta energy: -3.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -26.302987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.302987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.302987 (E_RNA)
where:
Base-Base interactions energy: -10.959
where: short stacking energy: -10.959
Base-Backbone interact. energy: -0.000
local terms energy: -15.343390
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.624
flat angles C4'-P-C4' energy: -3.068
flat angles P-C4'-P energy: -0.400
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: 1, replica: 7
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -37.854085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.854085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.854085 (E_RNA)
where:
Base-Base interactions energy: -16.679
where: short stacking energy: -16.679
Base-Backbone interact. energy: -0.000
local terms energy: -21.175138
where:
bonds (distance) C4'-P energy: -4.303
bonds (distance) P-C4' energy: -4.575
flat angles C4'-P-C4' energy: -4.150
flat angles P-C4'-P energy: -3.121
tors. eta vs tors. theta energy: -5.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -33.130988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.130988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.130988 (E_RNA)
where:
Base-Base interactions energy: -15.838
where: short stacking energy: -15.838
Base-Backbone interact. energy: -0.000
local terms energy: -17.293102
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -4.051
flat angles C4'-P-C4' energy: -4.766
flat angles P-C4'-P energy: -0.850
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: 3, replica: 8
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -31.717112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.717112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.717112 (E_RNA)
where:
Base-Base interactions energy: -15.514
where: short stacking energy: -15.514
Base-Backbone interact. energy: -0.000
local terms energy: -16.203132
where:
bonds (distance) C4'-P energy: -2.680
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -2.932
flat angles P-C4'-P energy: -2.615
tors. eta vs tors. theta energy: -3.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -36.856747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.856747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.856747 (E_RNA)
where:
Base-Base interactions energy: -17.357
where: short stacking energy: -17.357
Base-Backbone interact. energy: -0.000
local terms energy: -19.500141
where:
bonds (distance) C4'-P energy: -2.387
bonds (distance) P-C4' energy: -4.406
flat angles C4'-P-C4' energy: -4.606
flat angles P-C4'-P energy: -3.102
tors. eta vs tors. theta energy: -4.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -27.362934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.362934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.362934 (E_RNA)
where:
Base-Base interactions energy: -12.476
where: short stacking energy: -12.476
Base-Backbone interact. energy: -0.000
local terms energy: -14.887201
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -2.549
flat angles P-C4'-P energy: -3.210
tors. eta vs tors. theta energy: -0.912
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: 9
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -29.581689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.581689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.581689 (E_RNA)
where:
Base-Base interactions energy: -13.046
where: short stacking energy: -13.046
Base-Backbone interact. energy: -0.047
local terms energy: -16.489219
where:
bonds (distance) C4'-P energy: -3.372
bonds (distance) P-C4' energy: -3.786
flat angles C4'-P-C4' energy: -4.148
flat angles P-C4'-P energy: -2.220
tors. eta vs tors. theta energy: -2.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -25.849648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.849648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.849648 (E_RNA)
where:
Base-Base interactions energy: -9.010
where: short stacking energy: -9.010
Base-Backbone interact. energy: -0.001
local terms energy: -16.838262
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.934
flat angles P-C4'-P energy: -2.263
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: 8, replica: 6
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -30.236875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.236875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.236875 (E_RNA)
where:
Base-Base interactions energy: -12.472
where: short stacking energy: -12.472
Base-Backbone interact. energy: -0.000
local terms energy: -17.764435
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -4.182
flat angles P-C4'-P energy: -1.410
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: 4
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -22.906349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.906349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.906349 (E_RNA)
where:
Base-Base interactions energy: -8.496
where: short stacking energy: -8.496
Base-Backbone interact. energy: -0.017
local terms energy: -14.393083
where:
bonds (distance) C4'-P energy: -3.036
bonds (distance) P-C4' energy: -5.128
flat angles C4'-P-C4' energy: -4.116
flat angles P-C4'-P energy: -2.712
tors. eta vs tors. theta energy: 0.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -27.721801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.721801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.721801 (E_RNA)
where:
Base-Base interactions energy: -11.560
where: short stacking energy: -11.179
Base-Backbone interact. energy: -0.000
local terms energy: -16.161905
where:
bonds (distance) C4'-P energy: -2.812
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -3.392
flat angles P-C4'-P energy: -2.235
tors. eta vs tors. theta energy: -2.626
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: 70
Temperature: 0.900000
Total energy: -32.517395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.517395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.517395 (E_RNA)
where:
Base-Base interactions energy: -15.462
where: short stacking energy: -9.368
Base-Backbone interact. energy: -0.003
local terms energy: -17.052343
where:
bonds (distance) C4'-P energy: -3.745
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -3.268
flat angles P-C4'-P energy: -2.418
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: 2, replica: 7
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -27.738084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.738084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.738084 (E_RNA)
where:
Base-Base interactions energy: -11.290
where: short stacking energy: -11.290
Base-Backbone interact. energy: -0.002
local terms energy: -16.446083
where:
bonds (distance) C4'-P energy: -4.125
bonds (distance) P-C4' energy: -3.793
flat angles C4'-P-C4' energy: -3.468
flat angles P-C4'-P energy: -2.390
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: 3, replica: 8
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -31.476882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.476882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.476882 (E_RNA)
where:
Base-Base interactions energy: -12.422
where: short stacking energy: -12.422
Base-Backbone interact. energy: -0.000
local terms energy: -19.054755
where:
bonds (distance) C4'-P energy: -3.708
bonds (distance) P-C4' energy: -3.944
flat angles C4'-P-C4' energy: -3.930
flat angles P-C4'-P energy: -3.092
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: 4, replica: 5
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -32.712398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.712398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.712398 (E_RNA)
where:
Base-Base interactions energy: -13.781
where: short stacking energy: -13.781
Base-Backbone interact. energy: -0.000
local terms energy: -18.930918
where:
bonds (distance) C4'-P energy: -3.417
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.241
flat angles P-C4'-P energy: -3.610
tors. eta vs tors. theta energy: -2.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -30.443825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.443825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.443825 (E_RNA)
where:
Base-Base interactions energy: -11.527
where: short stacking energy: -11.527
Base-Backbone interact. energy: -0.000
local terms energy: -18.916737
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.945
flat angles P-C4'-P energy: -3.814
tors. eta vs tors. theta energy: -1.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -32.962726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.962726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.962726 (E_RNA)
where:
Base-Base interactions energy: -14.568
where: short stacking energy: -14.568
Base-Backbone interact. energy: -0.000
local terms energy: -18.394999
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -3.786
flat angles C4'-P-C4' energy: -4.255
flat angles P-C4'-P energy: -2.385
tors. eta vs tors. theta energy: -3.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -30.726017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.726017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.726017 (E_RNA)
where:
Base-Base interactions energy: -10.183
where: short stacking energy: -10.183
Base-Backbone interact. energy: -0.000
local terms energy: -20.543443
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -4.909
flat angles P-C4'-P energy: -3.709
tors. eta vs tors. theta energy: -2.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -26.264545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.264545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.264545 (E_RNA)
where:
Base-Base interactions energy: -7.946
where: short stacking energy: -7.946
Base-Backbone interact. energy: -0.000
local terms energy: -18.318463
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -2.968
flat angles P-C4'-P energy: -2.450
tors. eta vs tors. theta energy: -3.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -29.908124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.908124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.908124 (E_RNA)
where:
Base-Base interactions energy: -10.800
where: short stacking energy: -10.800
Base-Backbone interact. energy: -0.000
local terms energy: -19.107690
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -4.205
flat angles P-C4'-P energy: -2.985
tors. eta vs tors. theta energy: -2.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -27.900632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.900632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.900632 (E_RNA)
where:
Base-Base interactions energy: -10.279
where: short stacking energy: -10.279
Base-Backbone interact. energy: -0.004
local terms energy: -17.617507
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.314
flat angles C4'-P-C4' energy: -4.341
flat angles P-C4'-P energy: -2.916
tors. eta vs tors. theta energy: -1.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -40.616674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.616674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.616674 (E_RNA)
where:
Base-Base interactions energy: -18.390
where: short stacking energy: -18.390
Base-Backbone interact. energy: -0.000
local terms energy: -22.226845
where:
bonds (distance) C4'-P energy: -3.541
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.647
flat angles P-C4'-P energy: -4.091
tors. eta vs tors. theta energy: -5.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -30.594286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.594286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.594286 (E_RNA)
where:
Base-Base interactions energy: -14.558
where: short stacking energy: -14.558
Base-Backbone interact. energy: -0.005
local terms energy: -16.031382
where:
bonds (distance) C4'-P energy: -3.322
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.762
flat angles P-C4'-P energy: -2.255
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: 3, replica: 8
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -28.140809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.140809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.140809 (E_RNA)
where:
Base-Base interactions energy: -10.995
where: short stacking energy: -10.995
Base-Backbone interact. energy: -0.001
local terms energy: -17.144749
where:
bonds (distance) C4'-P energy: -3.256
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.472
flat angles P-C4'-P energy: -3.113
tors. eta vs tors. theta energy: -1.189
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: 5
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -30.454875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.454875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.454875 (E_RNA)
where:
Base-Base interactions energy: -12.376
where: short stacking energy: -12.376
Base-Backbone interact. energy: -0.000
local terms energy: -18.078667
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -3.751
flat angles C4'-P-C4' energy: -4.101
flat angles P-C4'-P energy: -2.291
tors. eta vs tors. theta energy: -3.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -30.997204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.997204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.997204 (E_RNA)
where:
Base-Base interactions energy: -15.031
where: short stacking energy: -15.031
Base-Backbone interact. energy: -0.000
local terms energy: -15.965715
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -3.387
flat angles P-C4'-P energy: -1.515
tors. eta vs tors. theta energy: -1.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -24.801301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.801301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.801301 (E_RNA)
where:
Base-Base interactions energy: -8.691
where: short stacking energy: -8.691
Base-Backbone interact. energy: -0.000
local terms energy: -16.109680
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -1.975
flat angles P-C4'-P energy: -3.089
tors. eta vs tors. theta energy: -2.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -32.371751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.371751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.371751 (E_RNA)
where:
Base-Base interactions energy: -12.688
where: short stacking energy: -12.688
Base-Backbone interact. energy: -0.000
local terms energy: -19.683657
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.499
flat angles P-C4'-P energy: -1.262
tors. eta vs tors. theta energy: -5.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -27.584030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.584030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.584030 (E_RNA)
where:
Base-Base interactions energy: -13.357
where: short stacking energy: -13.357
Base-Backbone interact. energy: -0.000
local terms energy: -14.226912
where:
bonds (distance) C4'-P energy: -2.254
bonds (distance) P-C4' energy: -4.103
flat angles C4'-P-C4' energy: -3.602
flat angles P-C4'-P energy: -0.710
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: 6
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -25.787611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.787611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.787611 (E_RNA)
where:
Base-Base interactions energy: -7.380
where: short stacking energy: -7.380
Base-Backbone interact. energy: -0.002
local terms energy: -18.405161
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -3.692
flat angles P-C4'-P energy: -3.644
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: 4
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -27.079416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.079416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.079416 (E_RNA)
where:
Base-Base interactions energy: -9.139
where: short stacking energy: -9.139
Base-Backbone interact. energy: -0.000
local terms energy: -17.940195
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -4.653
flat angles C4'-P-C4' energy: -3.885
flat angles P-C4'-P energy: -2.694
tors. eta vs tors. theta energy: -2.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -33.817612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.817612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.817612 (E_RNA)
where:
Base-Base interactions energy: -16.421
where: short stacking energy: -8.416
Base-Backbone interact. energy: -0.010
local terms energy: -17.386413
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.642
flat angles P-C4'-P energy: -2.782
tors. eta vs tors. theta energy: 0.018
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: 2, replica: 2
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -32.521642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.521642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.521642 (E_RNA)
where:
Base-Base interactions energy: -13.949
where: short stacking energy: -13.949
Base-Backbone interact. energy: -0.061
local terms energy: -18.511643
where:
bonds (distance) C4'-P energy: -4.038
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.280
flat angles P-C4'-P energy: -3.823
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: 3, replica: 5
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -37.451709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.451709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.451709 (E_RNA)
where:
Base-Base interactions energy: -17.147
where: short stacking energy: -17.147
Base-Backbone interact. energy: -0.000
local terms energy: -20.304626
where:
bonds (distance) C4'-P energy: -4.419
bonds (distance) P-C4' energy: -4.842
flat angles C4'-P-C4' energy: -4.328
flat angles P-C4'-P energy: -1.941
tors. eta vs tors. theta energy: -4.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -34.724330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.724330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.724330 (E_RNA)
where:
Base-Base interactions energy: -16.546
where: short stacking energy: -16.546
Base-Backbone interact. energy: -0.000
local terms energy: -18.177887
where:
bonds (distance) C4'-P energy: -3.389
bonds (distance) P-C4' energy: -4.572
flat angles C4'-P-C4' energy: -4.309
flat angles P-C4'-P energy: -2.640
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: 5, replica: 3
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -23.678821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.678821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.678821 (E_RNA)
where:
Base-Base interactions energy: -8.189
where: short stacking energy: -8.189
Base-Backbone interact. energy: -0.100
local terms energy: -15.389753
where:
bonds (distance) C4'-P energy: -3.566
bonds (distance) P-C4' energy: -3.042
flat angles C4'-P-C4' energy: -3.464
flat angles P-C4'-P energy: -2.758
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: 6, replica: 1
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -24.359773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.359773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.359773 (E_RNA)
where:
Base-Base interactions energy: -6.779
where: short stacking energy: -6.779
Base-Backbone interact. energy: -0.002
local terms energy: -17.579465
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.567
flat angles P-C4'-P energy: -3.101
tors. eta vs tors. theta energy: -1.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -30.488688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.488688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.488688 (E_RNA)
where:
Base-Base interactions energy: -12.382
where: short stacking energy: -12.382
Base-Backbone interact. energy: -0.000
local terms energy: -18.106504
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.451
flat angles P-C4'-P energy: -1.851
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: 72
Temperature: 1.250000
Total energy: -32.473909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.473909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.473909 (E_RNA)
where:
Base-Base interactions energy: -14.405
where: short stacking energy: -14.405
Base-Backbone interact. energy: -0.000
local terms energy: -18.068377
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -3.293
flat angles C4'-P-C4' energy: -3.828
flat angles P-C4'-P energy: -2.932
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: 4
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -28.301147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.301147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.301147 (E_RNA)
where:
Base-Base interactions energy: -9.021
where: short stacking energy: -9.021
Base-Backbone interact. energy: -0.000
local terms energy: -19.280068
where:
bonds (distance) C4'-P energy: -3.645
bonds (distance) P-C4' energy: -3.748
flat angles C4'-P-C4' energy: -3.991
flat angles P-C4'-P energy: -2.690
tors. eta vs tors. theta energy: -5.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -23.925503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.925503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.925503 (E_RNA)
where:
Base-Base interactions energy: -8.098
where: short stacking energy: -8.098
Base-Backbone interact. energy: -0.001
local terms energy: -15.826948
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -1.213
flat angles P-C4'-P energy: -3.370
tors. eta vs tors. theta energy: -2.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -36.086475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.086475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.086475 (E_RNA)
where:
Base-Base interactions energy: -15.870
where: short stacking energy: -15.870
Base-Backbone interact. energy: -0.000
local terms energy: -20.216071
where:
bonds (distance) C4'-P energy: -4.055
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -4.413
flat angles P-C4'-P energy: -3.862
tors. eta vs tors. theta energy: -2.797
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: 5
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -33.032198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.032198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.032198 (E_RNA)
where:
Base-Base interactions energy: -14.689
where: short stacking energy: -14.689
Base-Backbone interact. energy: -0.000
local terms energy: -18.343127
where:
bonds (distance) C4'-P energy: -3.045
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -4.352
flat angles P-C4'-P energy: -3.436
tors. eta vs tors. theta energy: -3.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -32.035668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.035668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.035668 (E_RNA)
where:
Base-Base interactions energy: -13.837
where: short stacking energy: -13.837
Base-Backbone interact. energy: -0.000
local terms energy: -18.198184
where:
bonds (distance) C4'-P energy: -3.012
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.907
flat angles P-C4'-P energy: -3.776
tors. eta vs tors. theta energy: -2.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -31.515211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.515211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.515211 (E_RNA)
where:
Base-Base interactions energy: -12.450
where: short stacking energy: -12.450
Base-Backbone interact. energy: -0.000
local terms energy: -19.065555
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.173
flat angles P-C4'-P energy: -2.132
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: 5, replica: 8
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -31.376470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.376470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.376470 (E_RNA)
where:
Base-Base interactions energy: -13.470
where: short stacking energy: -13.470
Base-Backbone interact. energy: -0.000
local terms energy: -17.906368
where:
bonds (distance) C4'-P energy: -2.950
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -4.394
flat angles P-C4'-P energy: -3.322
tors. eta vs tors. theta energy: -2.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -26.618177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.618177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.618177 (E_RNA)
where:
Base-Base interactions energy: -11.308
where: short stacking energy: -7.240
Base-Backbone interact. energy: -0.008
local terms energy: -15.302638
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.673
flat angles P-C4'-P energy: -1.245
tors. eta vs tors. theta energy: -0.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -27.941292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.941292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.941292 (E_RNA)
where:
Base-Base interactions energy: -11.725
where: short stacking energy: -11.725
Base-Backbone interact. energy: -0.000
local terms energy: -16.216099
where:
bonds (distance) C4'-P energy: -3.363
bonds (distance) P-C4' energy: -4.177
flat angles C4'-P-C4' energy: -2.748
flat angles P-C4'-P energy: -2.836
tors. eta vs tors. theta energy: -3.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -33.171772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.171772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.171772 (E_RNA)
where:
Base-Base interactions energy: -14.535
where: short stacking energy: -14.535
Base-Backbone interact. energy: -0.000
local terms energy: -18.636820
where:
bonds (distance) C4'-P energy: -3.699
bonds (distance) P-C4' energy: -4.631
flat angles C4'-P-C4' energy: -2.833
flat angles P-C4'-P energy: -2.753
tors. eta vs tors. theta energy: -4.721
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: 9
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -29.530943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.530943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.530943 (E_RNA)
where:
Base-Base interactions energy: -10.955
where: short stacking energy: -10.955
Base-Backbone interact. energy: -0.000
local terms energy: -18.575842
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.051
flat angles C4'-P-C4' energy: -4.907
flat angles P-C4'-P energy: -2.478
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: 6
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -26.543509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.543509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.543509 (E_RNA)
where:
Base-Base interactions energy: -7.906
where: short stacking energy: -7.906
Base-Backbone interact. energy: -0.000
local terms energy: -18.637867
where:
bonds (distance) C4'-P energy: -2.743
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.536
flat angles P-C4'-P energy: -3.325
tors. eta vs tors. theta energy: -2.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -33.737942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.737942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.737942 (E_RNA)
where:
Base-Base interactions energy: -16.553
where: short stacking energy: -16.553
Base-Backbone interact. energy: -0.000
local terms energy: -17.184764
where:
bonds (distance) C4'-P energy: -1.616
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.445
flat angles P-C4'-P energy: -1.617
tors. eta vs tors. theta energy: -5.385
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: 2, replica: 5
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -36.317488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.317488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.317488 (E_RNA)
where:
Base-Base interactions energy: -16.336
where: short stacking energy: -16.336
Base-Backbone interact. energy: -0.000
local terms energy: -19.981913
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -3.864
flat angles P-C4'-P energy: -3.278
tors. eta vs tors. theta energy: -4.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -33.823121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.823121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.823121 (E_RNA)
where:
Base-Base interactions energy: -12.866
where: short stacking energy: -12.866
Base-Backbone interact. energy: -0.000
local terms energy: -20.956940
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.464
flat angles P-C4'-P energy: -3.014
tors. eta vs tors. theta energy: -5.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -27.457510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.457510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.457510 (E_RNA)
where:
Base-Base interactions energy: -9.484
where: short stacking energy: -9.484
Base-Backbone interact. energy: -0.000
local terms energy: -17.973151
where:
bonds (distance) C4'-P energy: -4.270
bonds (distance) P-C4' energy: -4.174
flat angles C4'-P-C4' energy: -4.252
flat angles P-C4'-P energy: -2.278
tors. eta vs tors. theta energy: -2.999
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: 10
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -25.384400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.384400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.384400 (E_RNA)
where:
Base-Base interactions energy: -8.482
where: short stacking energy: -8.482
Base-Backbone interact. energy: -0.000
local terms energy: -16.902647
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.674
flat angles P-C4'-P energy: -1.873
tors. eta vs tors. theta energy: -0.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -31.829750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.829750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.829750 (E_RNA)
where:
Base-Base interactions energy: -12.173
where: short stacking energy: -12.173
Base-Backbone interact. energy: -0.000
local terms energy: -19.656390
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -4.215
flat angles P-C4'-P energy: -3.258
tors. eta vs tors. theta energy: -3.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -29.852052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.852052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.852052 (E_RNA)
where:
Base-Base interactions energy: -14.012
where: short stacking energy: -14.012
Base-Backbone interact. energy: -0.000
local terms energy: -15.839943
where:
bonds (distance) C4'-P energy: -3.595
bonds (distance) P-C4' energy: -4.174
flat angles C4'-P-C4' energy: -3.728
flat angles P-C4'-P energy: -1.163
tors. eta vs tors. theta energy: -3.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -27.842830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.842830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.842830 (E_RNA)
where:
Base-Base interactions energy: -12.412
where: short stacking energy: -6.636
Base-Backbone interact. energy: -0.013
local terms energy: -15.418474
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.027
flat angles P-C4'-P energy: -2.828
tors. eta vs tors. theta energy: 1.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -24.982229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.982229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.982229 (E_RNA)
where:
Base-Base interactions energy: -9.592
where: short stacking energy: -9.592
Base-Backbone interact. energy: -0.006
local terms energy: -15.383745
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -4.572
flat angles C4'-P-C4' energy: -4.081
flat angles P-C4'-P energy: -1.641
tors. eta vs tors. theta energy: -1.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -29.940492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.940492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.940492 (E_RNA)
where:
Base-Base interactions energy: -13.926
where: short stacking energy: -13.926
Base-Backbone interact. energy: -0.000
local terms energy: -16.013943
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -2.870
flat angles C4'-P-C4' energy: -3.600
flat angles P-C4'-P energy: -3.241
tors. eta vs tors. theta energy: -2.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -35.736190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.736190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.736190 (E_RNA)
where:
Base-Base interactions energy: -19.005
where: short stacking energy: -19.005
Base-Backbone interact. energy: -0.000
local terms energy: -16.731080
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -3.131
flat angles C4'-P-C4' energy: -3.297
flat angles P-C4'-P energy: -1.323
tors. eta vs tors. theta energy: -4.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -30.545038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.545038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.545038 (E_RNA)
where:
Base-Base interactions energy: -11.021
where: short stacking energy: -10.965
Base-Backbone interact. energy: -0.001
local terms energy: -19.523296
where:
bonds (distance) C4'-P energy: -4.742
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -2.778
flat angles P-C4'-P energy: -3.576
tors. eta vs tors. theta energy: -3.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -37.391980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.391980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.391980 (E_RNA)
where:
Base-Base interactions energy: -16.975
where: short stacking energy: -16.975
Base-Backbone interact. energy: -0.000
local terms energy: -20.417016
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -3.675
flat angles P-C4'-P energy: -2.414
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: 4, replica: 2
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -32.839432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.839432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.839432 (E_RNA)
where:
Base-Base interactions energy: -14.073
where: short stacking energy: -14.073
Base-Backbone interact. energy: -0.000
local terms energy: -18.766007
where:
bonds (distance) C4'-P energy: -3.753
bonds (distance) P-C4' energy: -4.044
flat angles C4'-P-C4' energy: -4.485
flat angles P-C4'-P energy: -3.358
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: 5, replica: 10
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -34.857902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.857902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.857902 (E_RNA)
where:
Base-Base interactions energy: -15.204
where: short stacking energy: -15.204
Base-Backbone interact. energy: -0.000
local terms energy: -19.654334
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.113
flat angles P-C4'-P energy: -3.607
tors. eta vs tors. theta energy: -3.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -29.609518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.609518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.609518 (E_RNA)
where:
Base-Base interactions energy: -12.647
where: short stacking energy: -10.481
Base-Backbone interact. energy: -0.014
local terms energy: -16.948981
where:
bonds (distance) C4'-P energy: -4.303
bonds (distance) P-C4' energy: -4.656
flat angles C4'-P-C4' energy: -3.338
flat angles P-C4'-P energy: -3.320
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: 7, replica: 8
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -22.262702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.262702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.262702 (E_RNA)
where:
Base-Base interactions energy: -7.096
where: short stacking energy: -7.096
Base-Backbone interact. energy: -0.098
local terms energy: -15.068294
where:
bonds (distance) C4'-P energy: -4.332
bonds (distance) P-C4' energy: -4.082
flat angles C4'-P-C4' energy: -3.519
flat angles P-C4'-P energy: -2.802
tors. eta vs tors. theta energy: -0.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -28.583924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.583924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.583924 (E_RNA)
where:
Base-Base interactions energy: -9.203
where: short stacking energy: -9.203
Base-Backbone interact. energy: -0.000
local terms energy: -19.380788
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -3.368
flat angles P-C4'-P energy: -3.503
tors. eta vs tors. theta energy: -3.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -29.530607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.530607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.530607 (E_RNA)
where:
Base-Base interactions energy: -10.866
where: short stacking energy: -10.866
Base-Backbone interact. energy: -0.000
local terms energy: -18.664474
where:
bonds (distance) C4'-P energy: -1.915
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.713
flat angles P-C4'-P energy: -2.398
tors. eta vs tors. theta energy: -4.524
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: 75
Temperature: 1.350000
Total energy: -27.605789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.605789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.605789 (E_RNA)
where:
Base-Base interactions energy: -10.422
where: short stacking energy: -10.422
Base-Backbone interact. energy: -0.000
local terms energy: -17.183805
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.157
flat angles P-C4'-P energy: 0.067
tors. eta vs tors. theta energy: -3.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -35.871288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.871288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.871288 (E_RNA)
where:
Base-Base interactions energy: -14.379
where: short stacking energy: -14.379
Base-Backbone interact. energy: -0.000
local terms energy: -21.491839
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.640
flat angles P-C4'-P energy: -3.381
tors. eta vs tors. theta energy: -4.947
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: 3
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -31.439491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.439491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.439491 (E_RNA)
where:
Base-Base interactions energy: -12.733
where: short stacking energy: -12.733
Base-Backbone interact. energy: -0.000
local terms energy: -18.706361
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -3.650
flat angles P-C4'-P energy: -2.732
tors. eta vs tors. theta energy: -3.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -34.424386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.424386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.424386 (E_RNA)
where:
Base-Base interactions energy: -15.843
where: short stacking energy: -15.843
Base-Backbone interact. energy: -0.000
local terms energy: -18.581280
where:
bonds (distance) C4'-P energy: -3.637
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -3.179
flat angles P-C4'-P energy: -3.100
tors. eta vs tors. theta energy: -3.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -35.916692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.916692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.916692 (E_RNA)
where:
Base-Base interactions energy: -17.390
where: short stacking energy: -17.390
Base-Backbone interact. energy: -0.000
local terms energy: -18.526424
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.309
flat angles P-C4'-P energy: -0.047
tors. eta vs tors. theta energy: -5.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -29.454913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.454913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.454913 (E_RNA)
where:
Base-Base interactions energy: -12.311
where: short stacking energy: -12.311
Base-Backbone interact. energy: -0.000
local terms energy: -17.144243
where:
bonds (distance) C4'-P energy: -1.827
bonds (distance) P-C4' energy: -4.149
flat angles C4'-P-C4' energy: -4.229
flat angles P-C4'-P energy: -3.102
tors. eta vs tors. theta energy: -3.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -31.990761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.990761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.990761 (E_RNA)
where:
Base-Base interactions energy: -12.442
where: short stacking energy: -12.442
Base-Backbone interact. energy: -0.000
local terms energy: -19.548454
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -2.663
flat angles P-C4'-P energy: -3.311
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: 7, replica: 6
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -28.071175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.071175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.071175 (E_RNA)
where:
Base-Base interactions energy: -9.712
where: short stacking energy: -9.712
Base-Backbone interact. energy: -0.000
local terms energy: -18.359357
where:
bonds (distance) C4'-P energy: -2.743
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.755
flat angles P-C4'-P energy: -2.707
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: 8, replica: 8
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -22.835830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.835830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.835830 (E_RNA)
where:
Base-Base interactions energy: -11.373
where: short stacking energy: -11.373
Base-Backbone interact. energy: -0.002
local terms energy: -11.461158
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -3.258
flat angles P-C4'-P energy: 0.333
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: 76
Temperature: 1.300000
Total energy: -27.658688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.658688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.658688 (E_RNA)
where:
Base-Base interactions energy: -12.763
where: short stacking energy: -12.763
Base-Backbone interact. energy: -0.002
local terms energy: -14.893409
where:
bonds (distance) C4'-P energy: -3.247
bonds (distance) P-C4' energy: -3.100
flat angles C4'-P-C4' energy: -3.605
flat angles P-C4'-P energy: -3.452
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: 10, replica: 9
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -28.897149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.897149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.897149 (E_RNA)
where:
Base-Base interactions energy: -9.582
where: short stacking energy: -9.582
Base-Backbone interact. energy: -0.000
local terms energy: -19.315561
where:
bonds (distance) C4'-P energy: -4.303
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -4.490
flat angles P-C4'-P energy: -2.172
tors. eta vs tors. theta energy: -3.493
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: 7
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -34.560958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.560958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.560958 (E_RNA)
where:
Base-Base interactions energy: -16.788
where: short stacking energy: -16.788
Base-Backbone interact. energy: -0.000
local terms energy: -17.772631
where:
bonds (distance) C4'-P energy: -2.387
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -2.891
flat angles P-C4'-P energy: -3.739
tors. eta vs tors. theta energy: -3.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -33.499217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.499217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.499217 (E_RNA)
where:
Base-Base interactions energy: -16.349
where: short stacking energy: -16.349
Base-Backbone interact. energy: -0.000
local terms energy: -17.150481
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -2.638
flat angles C4'-P-C4' energy: -3.412
flat angles P-C4'-P energy: -2.808
tors. eta vs tors. theta energy: -3.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -31.898658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.898658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.898658 (E_RNA)
where:
Base-Base interactions energy: -13.048
where: short stacking energy: -13.048
Base-Backbone interact. energy: -0.000
local terms energy: -18.849868
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -4.525
flat angles P-C4'-P energy: -2.930
tors. eta vs tors. theta energy: -2.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -34.339625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.339625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.339625 (E_RNA)
where:
Base-Base interactions energy: -17.791
where: short stacking energy: -17.791
Base-Backbone interact. energy: -0.000
local terms energy: -16.548288
where:
bonds (distance) C4'-P energy: -3.008
bonds (distance) P-C4' energy: -3.781
flat angles C4'-P-C4' energy: -3.028
flat angles P-C4'-P energy: -2.463
tors. eta vs tors. theta energy: -4.268
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: 77
Temperature: 1.100000
Total energy: -27.533966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.533966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.533966 (E_RNA)
where:
Base-Base interactions energy: -8.599
where: short stacking energy: -8.599
Base-Backbone interact. energy: -0.031
local terms energy: -18.903719
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -4.220
flat angles P-C4'-P energy: -2.642
tors. eta vs tors. theta energy: -2.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -31.381992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.381992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.381992 (E_RNA)
where:
Base-Base interactions energy: -11.925
where: short stacking energy: -8.387
Base-Backbone interact. energy: -0.000
local terms energy: -19.456556
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.569
flat angles C4'-P-C4' energy: -3.655
flat angles P-C4'-P energy: -4.117
tors. eta vs tors. theta energy: -3.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -27.385153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.385153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.385153 (E_RNA)
where:
Base-Base interactions energy: -12.514
where: short stacking energy: -12.038
Base-Backbone interact. energy: -0.000
local terms energy: -14.870866
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.174
flat angles C4'-P-C4' energy: -3.212
flat angles P-C4'-P energy: 0.403
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: 8, replica: 1
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -34.124312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.124312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.124312 (E_RNA)
where:
Base-Base interactions energy: -15.989
where: short stacking energy: -15.989
Base-Backbone interact. energy: -0.000
local terms energy: -18.135200
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -3.919
flat angles C4'-P-C4' energy: -4.151
flat angles P-C4'-P energy: -0.302
tors. eta vs tors. theta energy: -5.368
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: 9, replica: 8
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -23.426161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.426161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.426161 (E_RNA)
where:
Base-Base interactions energy: -6.441
where: short stacking energy: -6.441
Base-Backbone interact. energy: -0.000
local terms energy: -16.984801
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -4.624
flat angles C4'-P-C4' energy: -4.544
flat angles P-C4'-P energy: -2.624
tors. eta vs tors. theta energy: -0.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -25.052163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.052163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.052163 (E_RNA)
where:
Base-Base interactions energy: -8.340
where: short stacking energy: -8.340
Base-Backbone interact. energy: -0.000
local terms energy: -16.712608
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -3.057
flat angles P-C4'-P energy: -2.277
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: 1, replica: 2
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -36.698442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.698442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.698442 (E_RNA)
where:
Base-Base interactions energy: -15.344
where: short stacking energy: -15.344
Base-Backbone interact. energy: -0.000
local terms energy: -21.353972
where:
bonds (distance) C4'-P energy: -3.699
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.116
flat angles P-C4'-P energy: -2.970
tors. eta vs tors. theta energy: -5.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -35.952006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.952006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.952006 (E_RNA)
where:
Base-Base interactions energy: -16.047
where: short stacking energy: -16.047
Base-Backbone interact. energy: -0.000
local terms energy: -19.905244
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -3.385
flat angles C4'-P-C4' energy: -3.942
flat angles P-C4'-P energy: -2.732
tors. eta vs tors. theta energy: -5.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -33.893087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.893087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.893087 (E_RNA)
where:
Base-Base interactions energy: -14.641
where: short stacking energy: -14.641
Base-Backbone interact. energy: -0.000
local terms energy: -19.251947
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.406
flat angles C4'-P-C4' energy: -2.911
flat angles P-C4'-P energy: -3.613
tors. eta vs tors. theta energy: -3.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -32.540156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.540156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.540156 (E_RNA)
where:
Base-Base interactions energy: -12.938
where: short stacking energy: -12.938
Base-Backbone interact. energy: -0.000
local terms energy: -19.602613
where:
bonds (distance) C4'-P energy: -3.923
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -3.943
flat angles P-C4'-P energy: -3.950
tors. eta vs tors. theta energy: -3.123
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: 5, replica: 6
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -35.967408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.967408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.967408 (E_RNA)
where:
Base-Base interactions energy: -17.267
where: short stacking energy: -17.267
Base-Backbone interact. energy: -0.000
local terms energy: -18.700452
where:
bonds (distance) C4'-P energy: -3.541
bonds (distance) P-C4' energy: -4.867
flat angles C4'-P-C4' energy: -3.794
flat angles P-C4'-P energy: -1.861
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: 6, replica: 4
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -29.666079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.666079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.666079 (E_RNA)
where:
Base-Base interactions energy: -12.906
where: short stacking energy: -12.906
Base-Backbone interact. energy: -0.000
local terms energy: -16.760260
where:
bonds (distance) C4'-P energy: -3.533
bonds (distance) P-C4' energy: -3.748
flat angles C4'-P-C4' energy: -3.814
flat angles P-C4'-P energy: -3.850
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: 7, replica: 1
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -24.785084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.785084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.785084 (E_RNA)
where:
Base-Base interactions energy: -9.677
where: short stacking energy: -9.677
Base-Backbone interact. energy: -0.000
local terms energy: -15.107888
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -0.158
flat angles P-C4'-P energy: -2.736
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: 78
Temperature: 1.250000
Total energy: -29.035828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.035828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.035828 (E_RNA)
where:
Base-Base interactions energy: -10.533
where: short stacking energy: -10.533
Base-Backbone interact. energy: -0.000
local terms energy: -18.502783
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -3.293
flat angles P-C4'-P energy: -3.058
tors. eta vs tors. theta energy: -2.703
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: 78
Temperature: 1.300000
Total energy: -26.669262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.669262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.669262 (E_RNA)
where:
Base-Base interactions energy: -9.255
where: short stacking energy: -9.255
Base-Backbone interact. energy: -0.000
local terms energy: -17.413949
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -2.806
flat angles P-C4'-P energy: -2.419
tors. eta vs tors. theta energy: -2.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -28.196036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.196036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.196036 (E_RNA)
where:
Base-Base interactions energy: -12.333
where: short stacking energy: -12.333
Base-Backbone interact. energy: -0.000
local terms energy: -15.863405
where:
bonds (distance) C4'-P energy: -3.256
bonds (distance) P-C4' energy: -2.451
flat angles C4'-P-C4' energy: -3.851
flat angles P-C4'-P energy: -3.008
tors. eta vs tors. theta energy: -3.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -33.133791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.133791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.133791 (E_RNA)
where:
Base-Base interactions energy: -15.635
where: short stacking energy: -7.921
Base-Backbone interact. energy: -0.002
local terms energy: -17.496870
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.653
flat angles C4'-P-C4' energy: -2.553
flat angles P-C4'-P energy: -3.795
tors. eta vs tors. theta energy: -1.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -34.199118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.199118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.199118 (E_RNA)
where:
Base-Base interactions energy: -14.939
where: short stacking energy: -14.939
Base-Backbone interact. energy: -0.000
local terms energy: -19.260368
where:
bonds (distance) C4'-P energy: -2.415
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.098
flat angles P-C4'-P energy: -3.618
tors. eta vs tors. theta energy: -4.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -36.728790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.728790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.728790 (E_RNA)
where:
Base-Base interactions energy: -18.195
where: short stacking energy: -18.195
Base-Backbone interact. energy: -0.000
local terms energy: -18.534069
where:
bonds (distance) C4'-P energy: -2.962
bonds (distance) P-C4' energy: -3.723
flat angles C4'-P-C4' energy: -4.182
flat angles P-C4'-P energy: -2.603
tors. eta vs tors. theta energy: -5.064
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: 6
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -26.514467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.514467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.514467 (E_RNA)
where:
Base-Base interactions energy: -11.894
where: short stacking energy: -8.292
Base-Backbone interact. energy: -0.050
local terms energy: -14.570364
where:
bonds (distance) C4'-P energy: -2.900
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -4.004
flat angles P-C4'-P energy: -3.088
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: 5, replica: 3
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -24.827624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.827624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.827624 (E_RNA)
where:
Base-Base interactions energy: -8.033
where: short stacking energy: -8.033
Base-Backbone interact. energy: -0.009
local terms energy: -16.785922
where:
bonds (distance) C4'-P energy: -3.781
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.712
flat angles P-C4'-P energy: -2.996
tors. eta vs tors. theta energy: -0.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -30.495796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.495796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.495796 (E_RNA)
where:
Base-Base interactions energy: -11.550
where: short stacking energy: -11.550
Base-Backbone interact. energy: -0.000
local terms energy: -18.945717
where:
bonds (distance) C4'-P energy: -4.332
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.110
flat angles P-C4'-P energy: -2.973
tors. eta vs tors. theta energy: -3.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -33.221000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.221000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.221000 (E_RNA)
where:
Base-Base interactions energy: -14.169
where: short stacking energy: -14.169
Base-Backbone interact. energy: -0.000
local terms energy: -19.051611
where:
bonds (distance) C4'-P energy: -3.745
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.892
flat angles P-C4'-P energy: -2.759
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: 8, replica: 9
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -26.132139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.132139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.132139 (E_RNA)
where:
Base-Base interactions energy: -12.980
where: short stacking energy: -12.980
Base-Backbone interact. energy: -0.002
local terms energy: -13.151028
where:
bonds (distance) C4'-P energy: -3.247
bonds (distance) P-C4' energy: -3.523
flat angles C4'-P-C4' energy: -3.975
flat angles P-C4'-P energy: 0.274
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: 10
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -26.211060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.211060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.211060 (E_RNA)
where:
Base-Base interactions energy: -11.104
where: short stacking energy: -3.477
Base-Backbone interact. energy: -0.002
local terms energy: -15.104841
where:
bonds (distance) C4'-P energy: -2.689
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.728
flat angles P-C4'-P energy: -3.022
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: 10, replica: 8
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -25.523216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.523216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.523216 (E_RNA)
where:
Base-Base interactions energy: -10.274
where: short stacking energy: -10.274
Base-Backbone interact. energy: -0.000
local terms energy: -15.248800
where:
bonds (distance) C4'-P energy: -3.277
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -2.249
flat angles P-C4'-P energy: -1.675
tors. eta vs tors. theta energy: -3.166
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: 7
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -36.968336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.968336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.968336 (E_RNA)
where:
Base-Base interactions energy: -16.721
where: short stacking energy: -16.721
Base-Backbone interact. energy: -0.000
local terms energy: -20.246863
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.103
flat angles C4'-P-C4' energy: -4.417
flat angles P-C4'-P energy: -3.861
tors. eta vs tors. theta energy: -3.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -33.540741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.540741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.540741 (E_RNA)
where:
Base-Base interactions energy: -18.209
where: short stacking energy: -8.348
Base-Backbone interact. energy: -0.002
local terms energy: -15.329690
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -0.917
flat angles P-C4'-P energy: -3.072
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: 3, replica: 6
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -35.661514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.661514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.661514 (E_RNA)
where:
Base-Base interactions energy: -17.933
where: short stacking energy: -17.933
Base-Backbone interact. energy: -0.000
local terms energy: -17.728097
where:
bonds (distance) C4'-P energy: -2.565
bonds (distance) P-C4' energy: -3.272
flat angles C4'-P-C4' energy: -3.781
flat angles P-C4'-P energy: -3.119
tors. eta vs tors. theta energy: -4.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -34.205628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.205628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.205628 (E_RNA)
where:
Base-Base interactions energy: -15.215
where: short stacking energy: -15.215
Base-Backbone interact. energy: -0.000
local terms energy: -18.990959
where:
bonds (distance) C4'-P energy: -2.962
bonds (distance) P-C4' energy: -4.082
flat angles C4'-P-C4' energy: -4.632
flat angles P-C4'-P energy: -2.556
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: 5, replica: 1
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -28.836147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.836147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.836147 (E_RNA)
where:
Base-Base interactions energy: -8.877
where: short stacking energy: -8.877
Base-Backbone interact. energy: -0.006
local terms energy: -19.953052
where:
bonds (distance) C4'-P energy: -4.742
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -4.255
flat angles P-C4'-P energy: -3.303
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: 6, replica: 3
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -24.897354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.897354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.897354 (E_RNA)
where:
Base-Base interactions energy: -7.565
where: short stacking energy: -7.565
Base-Backbone interact. energy: -0.000
local terms energy: -17.332335
where:
bonds (distance) C4'-P energy: -2.859
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -3.673
flat angles P-C4'-P energy: -3.873
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: 7, replica: 9
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -26.397886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.397886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.397886 (E_RNA)
where:
Base-Base interactions energy: -9.946
where: short stacking energy: -9.946
Base-Backbone interact. energy: -0.000
local terms energy: -16.452238
where:
bonds (distance) C4'-P energy: -4.038
bonds (distance) P-C4' energy: -3.364
flat angles C4'-P-C4' energy: -4.873
flat angles P-C4'-P energy: -1.925
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: 8, replica: 4
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -25.957838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.957838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.957838 (E_RNA)
where:
Base-Base interactions energy: -8.081
where: short stacking energy: -8.081
Base-Backbone interact. energy: -0.000
local terms energy: -17.877097
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.569
flat angles C4'-P-C4' energy: -3.819
flat angles P-C4'-P energy: -1.571
tors. eta vs tors. theta energy: -3.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -22.235532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.235532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.235532 (E_RNA)
where:
Base-Base interactions energy: -6.794
where: short stacking energy: -6.794
Base-Backbone interact. energy: -0.000
local terms energy: -15.441849
where:
bonds (distance) C4'-P energy: -4.154
bonds (distance) P-C4' energy: -3.301
flat angles C4'-P-C4' energy: -2.927
flat angles P-C4'-P energy: -3.493
tors. eta vs tors. theta energy: -1.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -25.444849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.444849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.444849 (E_RNA)
where:
Base-Base interactions energy: -11.227
where: short stacking energy: -11.227
Base-Backbone interact. energy: -0.000
local terms energy: -14.217816
where:
bonds (distance) C4'-P energy: -3.541
bonds (distance) P-C4' energy: -2.863
flat angles C4'-P-C4' energy: -3.288
flat angles P-C4'-P energy: 0.091
tors. eta vs tors. theta energy: -4.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -38.374630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.374630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.374630 (E_RNA)
where:
Base-Base interactions energy: -15.953
where: short stacking energy: -15.953
Base-Backbone interact. energy: -0.000
local terms energy: -22.422001
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.816
flat angles P-C4'-P energy: -3.928
tors. eta vs tors. theta energy: -5.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -32.750809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.750809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.750809 (E_RNA)
where:
Base-Base interactions energy: -13.912
where: short stacking energy: -13.912
Base-Backbone interact. energy: -0.000
local terms energy: -18.838938
where:
bonds (distance) C4'-P energy: -3.753
bonds (distance) P-C4' energy: -3.966
flat angles C4'-P-C4' energy: -4.269
flat angles P-C4'-P energy: -3.758
tors. eta vs tors. theta energy: -3.093
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: 2
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -35.327984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.327984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.327984 (E_RNA)
where:
Base-Base interactions energy: -14.815
where: short stacking energy: -14.815
Base-Backbone interact. energy: -0.000
local terms energy: -20.512851
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -3.972
flat angles P-C4'-P energy: -3.539
tors. eta vs tors. theta energy: -4.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -30.806690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.806690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.806690 (E_RNA)
where:
Base-Base interactions energy: -13.042
where: short stacking energy: -13.042
Base-Backbone interact. energy: -0.011
local terms energy: -17.754017
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.847
flat angles P-C4'-P energy: -2.973
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: 5, replica: 5
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -25.463926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.463926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.463926 (E_RNA)
where:
Base-Base interactions energy: -8.581
where: short stacking energy: -8.581
Base-Backbone interact. energy: -0.000
local terms energy: -16.882457
where:
bonds (distance) C4'-P energy: -3.301
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -3.046
flat angles P-C4'-P energy: -3.368
tors. eta vs tors. theta energy: -1.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -26.051301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.051301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.051301 (E_RNA)
where:
Base-Base interactions energy: -10.327
where: short stacking energy: -8.558
Base-Backbone interact. energy: 1.565
local terms energy: -17.288531
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.206
flat angles P-C4'-P energy: -3.453
tors. eta vs tors. theta energy: -0.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -26.031507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.031507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.031507 (E_RNA)
where:
Base-Base interactions energy: -7.781
where: short stacking energy: -7.781
Base-Backbone interact. energy: -0.046
local terms energy: -18.204816
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.196
flat angles P-C4'-P energy: -3.825
tors. eta vs tors. theta energy: -1.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -23.263920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.263920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.263920 (E_RNA)
where:
Base-Base interactions energy: -6.148
where: short stacking energy: -6.148
Base-Backbone interact. energy: -0.031
local terms energy: -17.085002
where:
bonds (distance) C4'-P energy: -4.038
bonds (distance) P-C4' energy: -4.832
flat angles C4'-P-C4' energy: -4.206
flat angles P-C4'-P energy: -2.607
tors. eta vs tors. theta energy: -1.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -25.896868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.896868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.896868 (E_RNA)
where:
Base-Base interactions energy: -9.699
where: short stacking energy: -9.699
Base-Backbone interact. energy: -0.481
local terms energy: -15.716492
where:
bonds (distance) C4'-P energy: -3.592
bonds (distance) P-C4' energy: -4.892
flat angles C4'-P-C4' energy: -3.641
flat angles P-C4'-P energy: -1.253
tors. eta vs tors. theta energy: -2.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -24.097299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.097299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.097299 (E_RNA)
where:
Base-Base interactions energy: -8.423
where: short stacking energy: -8.423
Base-Backbone interact. energy: -0.000
local terms energy: -15.674466
where:
bonds (distance) C4'-P energy: -2.006
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -2.153
flat angles P-C4'-P energy: -3.785
tors. eta vs tors. theta energy: -3.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -38.639894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.639894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.639894 (E_RNA)
where:
Base-Base interactions energy: -18.461
where: short stacking energy: -18.461
Base-Backbone interact. energy: -0.000
local terms energy: -20.178610
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -4.049
flat angles P-C4'-P energy: -2.097
tors. eta vs tors. theta energy: -5.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -26.573587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.573587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.573587 (E_RNA)
where:
Base-Base interactions energy: -8.410
where: short stacking energy: -8.410
Base-Backbone interact. energy: -0.018
local terms energy: -18.145754
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.693
flat angles P-C4'-P energy: -3.501
tors. eta vs tors. theta energy: -0.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -31.160121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.160121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.160121 (E_RNA)
where:
Base-Base interactions energy: -12.639
where: short stacking energy: -12.639
Base-Backbone interact. energy: -0.026
local terms energy: -18.494782
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.628
flat angles C4'-P-C4' energy: -3.377
flat angles P-C4'-P energy: -3.502
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: 4, replica: 2
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -31.368055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.368055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.368055 (E_RNA)
where:
Base-Base interactions energy: -11.480
where: short stacking energy: -11.480
Base-Backbone interact. energy: -0.000
local terms energy: -19.887586
where:
bonds (distance) C4'-P energy: -3.148
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.566
flat angles P-C4'-P energy: -3.106
tors. eta vs tors. theta energy: -4.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -32.696832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.696832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.696832 (E_RNA)
where:
Base-Base interactions energy: -11.082
where: short stacking energy: -11.082
Base-Backbone interact. energy: -0.000
local terms energy: -21.614640
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.815
flat angles P-C4'-P energy: -2.888
tors. eta vs tors. theta energy: -5.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -31.296796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.296796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.296796 (E_RNA)
where:
Base-Base interactions energy: -11.677
where: short stacking energy: -11.677
Base-Backbone interact. energy: -0.000
local terms energy: -19.619654
where:
bonds (distance) C4'-P energy: -4.332
bonds (distance) P-C4' energy: -3.553
flat angles C4'-P-C4' energy: -4.222
flat angles P-C4'-P energy: -3.647
tors. eta vs tors. theta energy: -3.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -27.688432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.688432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.688432 (E_RNA)
where:
Base-Base interactions energy: -13.310
where: short stacking energy: -13.310
Base-Backbone interact. energy: -0.000
local terms energy: -14.378488
where:
bonds (distance) C4'-P energy: -2.804
bonds (distance) P-C4' energy: -1.180
flat angles C4'-P-C4' energy: -4.326
flat angles P-C4'-P energy: -3.596
tors. eta vs tors. theta energy: -2.472
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: 9
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -26.578407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.578407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.578407 (E_RNA)
where:
Base-Base interactions energy: -10.385
where: short stacking energy: -7.161
Base-Backbone interact. energy: -0.090
local terms energy: -16.103871
where:
bonds (distance) C4'-P energy: -2.510
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.707
flat angles P-C4'-P energy: -3.130
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: 10
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -28.795020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.795020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.795020 (E_RNA)
where:
Base-Base interactions energy: -11.764
where: short stacking energy: -11.764
Base-Backbone interact. energy: -0.000
local terms energy: -17.030988
where:
bonds (distance) C4'-P energy: -4.154
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -2.624
flat angles P-C4'-P energy: -2.910
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: 10, replica: 4
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -31.296945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.296945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.296945 (E_RNA)
where:
Base-Base interactions energy: -12.574
where: short stacking energy: -12.574
Base-Backbone interact. energy: -0.000
local terms energy: -18.722504
where:
bonds (distance) C4'-P energy: -3.939
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -4.580
flat angles P-C4'-P energy: -3.453
tors. eta vs tors. theta energy: -1.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -37.785256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.785256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.785256 (E_RNA)
where:
Base-Base interactions energy: -17.348
where: short stacking energy: -17.348
Base-Backbone interact. energy: -0.000
local terms energy: -20.437511
where:
bonds (distance) C4'-P energy: -3.372
bonds (distance) P-C4' energy: -4.336
flat angles C4'-P-C4' energy: -4.330
flat angles P-C4'-P energy: -2.951
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: 2, replica: 1
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -36.311004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.311004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.311004 (E_RNA)
where:
Base-Base interactions energy: -16.079
where: short stacking energy: -16.079
Base-Backbone interact. energy: -0.000
local terms energy: -20.231655
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.309
flat angles P-C4'-P energy: -2.599
tors. eta vs tors. theta energy: -3.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -35.529652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.529652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.529652 (E_RNA)
where:
Base-Base interactions energy: -16.784
where: short stacking energy: -7.742
Base-Backbone interact. energy: -0.014
local terms energy: -18.731900
where:
bonds (distance) C4'-P energy: -4.038
bonds (distance) P-C4' energy: -4.082
flat angles C4'-P-C4' energy: -4.659
flat angles P-C4'-P energy: -3.757
tors. eta vs tors. theta energy: -2.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -30.709969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.709969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.709969 (E_RNA)
where:
Base-Base interactions energy: -13.238
where: short stacking energy: -13.238
Base-Backbone interact. energy: -0.000
local terms energy: -17.471507
where:
bonds (distance) C4'-P energy: -2.812
bonds (distance) P-C4' energy: -3.643
flat angles C4'-P-C4' energy: -4.235
flat angles P-C4'-P energy: -3.709
tors. eta vs tors. theta energy: -3.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -30.207571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.207571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.207571 (E_RNA)
where:
Base-Base interactions energy: -12.858
where: short stacking energy: -12.858
Base-Backbone interact. energy: -0.000
local terms energy: -17.349483
where:
bonds (distance) C4'-P energy: -3.673
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -2.507
flat angles P-C4'-P energy: -2.896
tors. eta vs tors. theta energy: -3.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -29.609828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.609828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.609828 (E_RNA)
where:
Base-Base interactions energy: -12.136
where: short stacking energy: -12.136
Base-Backbone interact. energy: -0.000
local terms energy: -17.473383
where:
bonds (distance) C4'-P energy: -1.968
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -4.717
flat angles P-C4'-P energy: -3.045
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: 7, replica: 3
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -28.550565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.550565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.550565 (E_RNA)
where:
Base-Base interactions energy: -12.890
where: short stacking energy: -12.890
Base-Backbone interact. energy: -0.000
local terms energy: -15.659911
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -3.367
flat angles C4'-P-C4' energy: -4.346
flat angles P-C4'-P energy: -3.417
tors. eta vs tors. theta energy: -0.980
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: 10
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -27.458730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.458730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.458730 (E_RNA)
where:
Base-Base interactions energy: -12.377
where: short stacking energy: -12.122
Base-Backbone interact. energy: -0.391
local terms energy: -14.690025
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -2.723
flat angles C4'-P-C4' energy: -4.485
flat angles P-C4'-P energy: -1.616
tors. eta vs tors. theta energy: -1.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -30.382465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.382465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.382465 (E_RNA)
where:
Base-Base interactions energy: -12.388
where: short stacking energy: -12.388
Base-Backbone interact. energy: -0.000
local terms energy: -17.994395
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -3.760
flat angles P-C4'-P energy: -1.165
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: 4
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -26.918791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.918791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.918791 (E_RNA)
where:
Base-Base interactions energy: -9.264
where: short stacking energy: -9.264
Base-Backbone interact. energy: -0.000
local terms energy: -17.654612
where:
bonds (distance) C4'-P energy: -3.575
bonds (distance) P-C4' energy: -3.726
flat angles C4'-P-C4' energy: -4.040
flat angles P-C4'-P energy: -1.809
tors. eta vs tors. theta energy: -4.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -37.605519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.605519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.605519 (E_RNA)
where:
Base-Base interactions energy: -16.844
where: short stacking energy: -16.844
Base-Backbone interact. energy: -0.000
local terms energy: -20.761523
where:
bonds (distance) C4'-P energy: -3.673
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.267
flat angles P-C4'-P energy: -3.674
tors. eta vs tors. theta energy: -4.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -36.584850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.584850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.584850 (E_RNA)
where:
Base-Base interactions energy: -17.253
where: short stacking energy: -17.253
Base-Backbone interact. energy: -0.000
local terms energy: -19.331889
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -4.600
flat angles C4'-P-C4' energy: -4.131
flat angles P-C4'-P energy: -3.101
tors. eta vs tors. theta energy: -3.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -30.087006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.087006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.087006 (E_RNA)
where:
Base-Base interactions energy: -14.701
where: short stacking energy: -14.701
Base-Backbone interact. energy: -0.001
local terms energy: -15.384971
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -3.666
flat angles P-C4'-P energy: -0.588
tors. eta vs tors. theta energy: -1.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -26.523256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.523256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.523256 (E_RNA)
where:
Base-Base interactions energy: -9.862
where: short stacking energy: -9.862
Base-Backbone interact. energy: -0.131
local terms energy: -16.530331
where:
bonds (distance) C4'-P energy: -2.743
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -3.592
flat angles P-C4'-P energy: -1.920
tors. eta vs tors. theta energy: -3.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -28.576208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.576208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.576208 (E_RNA)
where:
Base-Base interactions energy: -13.148
where: short stacking energy: -13.148
Base-Backbone interact. energy: -0.000
local terms energy: -15.428141
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.417
flat angles C4'-P-C4' energy: -2.216
flat angles P-C4'-P energy: -2.293
tors. eta vs tors. theta energy: -2.216
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: 2
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -26.003106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.003106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.003106 (E_RNA)
where:
Base-Base interactions energy: -10.577
where: short stacking energy: -10.341
Base-Backbone interact. energy: -0.000
local terms energy: -15.426330
where:
bonds (distance) C4'-P energy: -3.699
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -3.707
flat angles P-C4'-P energy: -0.679
tors. eta vs tors. theta energy: -2.506
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: 10
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -29.763833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.763833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.763833 (E_RNA)
where:
Base-Base interactions energy: -13.449
where: short stacking energy: -13.449
Base-Backbone interact. energy: -0.026
local terms energy: -16.289782
where:
bonds (distance) C4'-P energy: -4.332
bonds (distance) P-C4' energy: -3.106
flat angles C4'-P-C4' energy: -4.416
flat angles P-C4'-P energy: -3.492
tors. eta vs tors. theta energy: -0.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -25.064975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.064975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.064975 (E_RNA)
where:
Base-Base interactions energy: -8.020
where: short stacking energy: -8.020
Base-Backbone interact. energy: -0.000
local terms energy: -17.045074
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -1.652
flat angles P-C4'-P energy: -3.235
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: 9, replica: 4
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -27.867902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.867902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.867902 (E_RNA)
where:
Base-Base interactions energy: -11.618
where: short stacking energy: -11.618
Base-Backbone interact. energy: -0.000
local terms energy: -16.249801
where:
bonds (distance) C4'-P energy: -3.185
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.852
flat angles P-C4'-P energy: -0.571
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: 10, replica: 9
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -23.723083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.723083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.723083 (E_RNA)
where:
Base-Base interactions energy: -6.926
where: short stacking energy: -6.926
Base-Backbone interact. energy: -0.000
local terms energy: -16.796464
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -4.270
flat angles P-C4'-P energy: -2.702
tors. eta vs tors. theta energy: -0.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -34.226927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.226927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.226927 (E_RNA)
where:
Base-Base interactions energy: -17.912
where: short stacking energy: -17.912
Base-Backbone interact. energy: -0.000
local terms energy: -16.315123
where:
bonds (distance) C4'-P energy: -3.152
bonds (distance) P-C4' energy: -4.174
flat angles C4'-P-C4' energy: -2.472
flat angles P-C4'-P energy: -3.092
tors. eta vs tors. theta energy: -3.425
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: 7
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -37.644049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.644049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.644049 (E_RNA)
where:
Base-Base interactions energy: -16.799
where: short stacking energy: -16.799
Base-Backbone interact. energy: -0.000
local terms energy: -20.844641
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.406
flat angles C4'-P-C4' energy: -4.223
flat angles P-C4'-P energy: -2.935
tors. eta vs tors. theta energy: -4.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -31.975006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.975006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.975006 (E_RNA)
where:
Base-Base interactions energy: -13.076
where: short stacking energy: -13.076
Base-Backbone interact. energy: -0.002
local terms energy: -18.897324
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.135
flat angles P-C4'-P energy: -2.866
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: 4, replica: 6
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -27.963172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.963172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.963172 (E_RNA)
where:
Base-Base interactions energy: -8.115
where: short stacking energy: -7.350
Base-Backbone interact. energy: -0.007
local terms energy: -19.841030
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.138
flat angles P-C4'-P energy: -3.375
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: 5, replica: 8
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -29.593412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.593412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.593412 (E_RNA)
where:
Base-Base interactions energy: -12.585
where: short stacking energy: -12.585
Base-Backbone interact. energy: -0.000
local terms energy: -17.008578
where:
bonds (distance) C4'-P energy: -2.946
bonds (distance) P-C4' energy: -3.748
flat angles C4'-P-C4' energy: -3.172
flat angles P-C4'-P energy: -2.468
tors. eta vs tors. theta energy: -4.675
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: 10
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -27.552525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.552525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.552525 (E_RNA)
where:
Base-Base interactions energy: -11.513
where: short stacking energy: -11.513
Base-Backbone interact. energy: -0.000
local terms energy: -16.039729
where:
bonds (distance) C4'-P energy: -3.566
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.821
flat angles P-C4'-P energy: -2.312
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: 7, replica: 2
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -29.199582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.199582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.199582 (E_RNA)
where:
Base-Base interactions energy: -11.879
where: short stacking energy: -11.879
Base-Backbone interact. energy: -0.000
local terms energy: -17.320851
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -4.649
flat angles C4'-P-C4' energy: -2.658
flat angles P-C4'-P energy: -3.520
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: 8, replica: 3
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -26.374285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.374285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.374285 (E_RNA)
where:
Base-Base interactions energy: -14.412
where: short stacking energy: -5.406
Base-Backbone interact. energy: -0.005
local terms energy: -11.957243
where:
bonds (distance) C4'-P energy: -2.271
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.437
flat angles P-C4'-P energy: 0.907
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: 4
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -24.374785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.374785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.374785 (E_RNA)
where:
Base-Base interactions energy: -8.909
where: short stacking energy: -8.909
Base-Backbone interact. energy: -0.003
local terms energy: -15.462230
where:
bonds (distance) C4'-P energy: -3.558
bonds (distance) P-C4' energy: -4.051
flat angles C4'-P-C4' energy: -2.767
flat angles P-C4'-P energy: -2.287
tors. eta vs tors. theta energy: -2.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -23.536518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.536518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.536518 (E_RNA)
where:
Base-Base interactions energy: -7.712
where: short stacking energy: -7.712
Base-Backbone interact. energy: 0.209
local terms energy: -16.033246
where:
bonds (distance) C4'-P energy: -3.708
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -3.705
flat angles P-C4'-P energy: -3.644
tors. eta vs tors. theta energy: 0.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -33.574441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.574441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.574441 (E_RNA)
where:
Base-Base interactions energy: -14.591
where: short stacking energy: -14.591
Base-Backbone interact. energy: -0.000
local terms energy: -18.983056
where:
bonds (distance) C4'-P energy: -2.928
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -2.566
flat angles P-C4'-P energy: -3.873
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: 2, replica: 7
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -38.930120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.930120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.930120 (E_RNA)
where:
Base-Base interactions energy: -17.084
where: short stacking energy: -17.084
Base-Backbone interact. energy: -0.000
local terms energy: -21.846201
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -3.755
flat angles C4'-P-C4' energy: -4.466
flat angles P-C4'-P energy: -3.918
tors. eta vs tors. theta energy: -5.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -37.434574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.434574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.434574 (E_RNA)
where:
Base-Base interactions energy: -17.313
where: short stacking energy: -17.313
Base-Backbone interact. energy: -0.000
local terms energy: -20.121083
where:
bonds (distance) C4'-P energy: -3.268
bonds (distance) P-C4' energy: -4.103
flat angles C4'-P-C4' energy: -4.023
flat angles P-C4'-P energy: -3.489
tors. eta vs tors. theta energy: -5.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -33.117661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.117661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.117661 (E_RNA)
where:
Base-Base interactions energy: -11.050
where: short stacking energy: -11.050
Base-Backbone interact. energy: -0.000
local terms energy: -22.067186
where:
bonds (distance) C4'-P energy: -4.233
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.623
flat angles P-C4'-P energy: -3.921
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: 5, replica: 10
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -29.801990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.801990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.801990 (E_RNA)
where:
Base-Base interactions energy: -14.342
where: short stacking energy: -14.342
Base-Backbone interact. energy: -0.000
local terms energy: -15.460078
where:
bonds (distance) C4'-P energy: -2.209
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -2.563
flat angles P-C4'-P energy: -2.243
tors. eta vs tors. theta energy: -3.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -25.703688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.703688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.703688 (E_RNA)
where:
Base-Base interactions energy: -8.900
where: short stacking energy: -8.900
Base-Backbone interact. energy: -0.000
local terms energy: -16.803984
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -2.923
flat angles P-C4'-P energy: -2.691
tors. eta vs tors. theta energy: -1.671
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: 7, replica: 3
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -28.162468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.162468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.162468 (E_RNA)
where:
Base-Base interactions energy: -9.436
where: short stacking energy: -9.436
Base-Backbone interact. energy: -0.098
local terms energy: -18.628088
where:
bonds (distance) C4'-P energy: -3.344
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.305
flat angles P-C4'-P energy: -3.022
tors. eta vs tors. theta energy: -2.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -26.136944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.136944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.136944 (E_RNA)
where:
Base-Base interactions energy: -9.641
where: short stacking energy: -8.856
Base-Backbone interact. energy: -0.008
local terms energy: -16.488850
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -2.990
flat angles P-C4'-P energy: -1.643
tors. eta vs tors. theta energy: -2.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -29.618936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.618936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.618936 (E_RNA)
where:
Base-Base interactions energy: -9.908
where: short stacking energy: -9.908
Base-Backbone interact. energy: -0.000
local terms energy: -19.710555
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.695
flat angles P-C4'-P energy: -2.142
tors. eta vs tors. theta energy: -3.241
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: 4
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -28.861989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.861989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.861989 (E_RNA)
where:
Base-Base interactions energy: -11.990
where: short stacking energy: -11.990
Base-Backbone interact. energy: -0.000
local terms energy: -16.872330
where:
bonds (distance) C4'-P energy: -1.037
bonds (distance) P-C4' energy: -4.413
flat angles C4'-P-C4' energy: -4.500
flat angles P-C4'-P energy: -2.950
tors. eta vs tors. theta energy: -3.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -37.322891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.322891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.322891 (E_RNA)
where:
Base-Base interactions energy: -17.038
where: short stacking energy: -17.038
Base-Backbone interact. energy: -0.000
local terms energy: -20.285301
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.909
flat angles P-C4'-P energy: -3.019
tors. eta vs tors. theta energy: -3.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -34.318080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.318080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.318080 (E_RNA)
where:
Base-Base interactions energy: -13.599
where: short stacking energy: -13.599
Base-Backbone interact. energy: -0.000
local terms energy: -20.718926
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.628
flat angles C4'-P-C4' energy: -3.903
flat angles P-C4'-P energy: -3.836
tors. eta vs tors. theta energy: -3.951
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: 7
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -30.761290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.761290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.761290 (E_RNA)
where:
Base-Base interactions energy: -12.720
where: short stacking energy: -12.720
Base-Backbone interact. energy: -0.000
local terms energy: -18.041316
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.673
flat angles P-C4'-P energy: -2.147
tors. eta vs tors. theta energy: -2.706
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: 10
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -34.863301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.863301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.863301 (E_RNA)
where:
Base-Base interactions energy: -16.848
where: short stacking energy: -16.848
Base-Backbone interact. energy: -0.000
local terms energy: -18.014835
where:
bonds (distance) C4'-P energy: -3.268
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -4.061
flat angles P-C4'-P energy: -1.542
tors. eta vs tors. theta energy: -3.786
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: 5, replica: 6
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -28.798169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.798169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.798169 (E_RNA)
where:
Base-Base interactions energy: -12.269
where: short stacking energy: -12.269
Base-Backbone interact. energy: -0.000
local terms energy: -16.529133
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -3.557
flat angles C4'-P-C4' energy: -4.416
flat angles P-C4'-P energy: -0.766
tors. eta vs tors. theta energy: -3.280
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: 8
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -29.958181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.958181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.958181 (E_RNA)
where:
Base-Base interactions energy: -11.380
where: short stacking energy: -11.380
Base-Backbone interact. energy: -0.000
local terms energy: -18.577897
where:
bonds (distance) C4'-P energy: -3.673
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.428
flat angles P-C4'-P energy: -2.704
tors. eta vs tors. theta energy: -2.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -31.542712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.542712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.542712 (E_RNA)
where:
Base-Base interactions energy: -15.035
where: short stacking energy: -15.035
Base-Backbone interact. energy: -0.000
local terms energy: -16.507672
where:
bonds (distance) C4'-P energy: -3.433
bonds (distance) P-C4' energy: -4.047
flat angles C4'-P-C4' energy: -2.587
flat angles P-C4'-P energy: -0.940
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: 8, replica: 9
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -28.852103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.852103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.852103 (E_RNA)
where:
Base-Base interactions energy: -12.436
where: short stacking energy: -12.436
Base-Backbone interact. energy: -0.000
local terms energy: -16.416538
where:
bonds (distance) C4'-P energy: -3.699
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -2.558
flat angles P-C4'-P energy: -2.942
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: 9, replica: 2
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -24.746949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.746949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.746949 (E_RNA)
where:
Base-Base interactions energy: -8.050
where: short stacking energy: -8.050
Base-Backbone interact. energy: -0.057
local terms energy: -16.640701
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.441
flat angles C4'-P-C4' energy: -3.701
flat angles P-C4'-P energy: -2.680
tors. eta vs tors. theta energy: -1.424
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: 10, replica: 4
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -23.434245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.434245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.434245 (E_RNA)
where:
Base-Base interactions energy: -6.903
where: short stacking energy: -6.903
Base-Backbone interact. energy: -0.000
local terms energy: -16.531173
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -2.904
flat angles P-C4'-P energy: -0.917
tors. eta vs tors. theta energy: -3.306
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: 5
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -36.187205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.187205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.187205 (E_RNA)
where:
Base-Base interactions energy: -17.110
where: short stacking energy: -9.788
Base-Backbone interact. energy: -0.024
local terms energy: -19.053484
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -5.361
flat angles C4'-P-C4' energy: -4.211
flat angles P-C4'-P energy: -2.471
tors. eta vs tors. theta energy: -2.385
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: 2, replica: 1
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -37.268326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.268326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.268326 (E_RNA)
where:
Base-Base interactions energy: -15.856
where: short stacking energy: -15.856
Base-Backbone interact. energy: -0.000
local terms energy: -21.412062
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -4.044
flat angles C4'-P-C4' energy: -4.683
flat angles P-C4'-P energy: -3.139
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: 3, replica: 10
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -27.267011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.267011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.267011 (E_RNA)
where:
Base-Base interactions energy: -10.684
where: short stacking energy: -10.684
Base-Backbone interact. energy: -0.000
local terms energy: -16.582802
where:
bonds (distance) C4'-P energy: -3.301
bonds (distance) P-C4' energy: -4.410
flat angles C4'-P-C4' energy: -3.067
flat angles P-C4'-P energy: -2.304
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: 4, replica: 7
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -32.491037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.491037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.491037 (E_RNA)
where:
Base-Base interactions energy: -15.326
where: short stacking energy: -15.326
Base-Backbone interact. energy: -0.000
local terms energy: -17.164797
where:
bonds (distance) C4'-P energy: -2.415
bonds (distance) P-C4' energy: -3.818
flat angles C4'-P-C4' energy: -4.575
flat angles P-C4'-P energy: -1.575
tors. eta vs tors. theta energy: -4.782
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: 6
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -30.532839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.532839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.532839 (E_RNA)
where:
Base-Base interactions energy: -11.718
where: short stacking energy: -11.718
Base-Backbone interact. energy: -0.001
local terms energy: -18.813489
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -2.891
flat angles P-C4'-P energy: -3.528
tors. eta vs tors. theta energy: -2.757
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: 8
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -33.926857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.926857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.926857 (E_RNA)
where:
Base-Base interactions energy: -14.387
where: short stacking energy: -14.387
Base-Backbone interact. energy: -0.000
local terms energy: -19.539743
where:
bonds (distance) C4'-P energy: -4.154
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.027
flat angles P-C4'-P energy: -1.352
tors. eta vs tors. theta energy: -5.339
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: 9
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -26.908920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.908920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.908920 (E_RNA)
where:
Base-Base interactions energy: -10.247
where: short stacking energy: -10.247
Base-Backbone interact. energy: -0.000
local terms energy: -16.661683
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -1.794
flat angles C4'-P-C4' energy: -4.770
flat angles P-C4'-P energy: -1.340
tors. eta vs tors. theta energy: -4.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -25.474354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.474354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.474354 (E_RNA)
where:
Base-Base interactions energy: -10.662
where: short stacking energy: -10.662
Base-Backbone interact. energy: -0.002
local terms energy: -14.809749
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.581
flat angles C4'-P-C4' energy: -3.851
flat angles P-C4'-P energy: -0.882
tors. eta vs tors. theta energy: -1.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -28.323716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.323716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.323716 (E_RNA)
where:
Base-Base interactions energy: -9.034
where: short stacking energy: -9.034
Base-Backbone interact. energy: -0.000
local terms energy: -19.289339
where:
bonds (distance) C4'-P energy: -3.939
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -4.453
flat angles P-C4'-P energy: -3.216
tors. eta vs tors. theta energy: -2.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -25.053696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.053696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.053696 (E_RNA)
where:
Base-Base interactions energy: -11.791
where: short stacking energy: -11.791
Base-Backbone interact. energy: -0.057
local terms energy: -13.205424
where:
bonds (distance) C4'-P energy: -2.531
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -1.532
flat angles P-C4'-P energy: -1.735
tors. eta vs tors. theta energy: -2.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -29.900063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.900063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.900063 (E_RNA)
where:
Base-Base interactions energy: -12.224
where: short stacking energy: -12.224
Base-Backbone interact. energy: -0.000
local terms energy: -17.675627
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.679
flat angles P-C4'-P energy: -2.561
tors. eta vs tors. theta energy: -1.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -34.739732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.739732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.739732 (E_RNA)
where:
Base-Base interactions energy: -14.482
where: short stacking energy: -14.482
Base-Backbone interact. energy: -0.000
local terms energy: -20.257422
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.432
flat angles P-C4'-P energy: -3.085
tors. eta vs tors. theta energy: -3.478
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: 1
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -26.268261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.268261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.268261 (E_RNA)
where:
Base-Base interactions energy: -9.367
where: short stacking energy: -9.367
Base-Backbone interact. energy: -0.090
local terms energy: -16.810934
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -3.091
flat angles P-C4'-P energy: -3.895
tors. eta vs tors. theta energy: -1.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -33.175626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.175626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.175626 (E_RNA)
where:
Base-Base interactions energy: -12.657
where: short stacking energy: -12.657
Base-Backbone interact. energy: -0.000
local terms energy: -20.518589
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.716
flat angles P-C4'-P energy: -2.830
tors. eta vs tors. theta energy: -3.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -31.848325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.848325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.848325 (E_RNA)
where:
Base-Base interactions energy: -11.708
where: short stacking energy: -11.507
Base-Backbone interact. energy: -0.004
local terms energy: -20.135722
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.479
flat angles P-C4'-P energy: -3.815
tors. eta vs tors. theta energy: -3.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -36.226109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.226109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.226109 (E_RNA)
where:
Base-Base interactions energy: -16.041
where: short stacking energy: -16.041
Base-Backbone interact. energy: -0.000
local terms energy: -20.185382
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -3.533
flat angles P-C4'-P energy: -2.335
tors. eta vs tors. theta energy: -5.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -26.897642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.897642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.897642 (E_RNA)
where:
Base-Base interactions energy: -13.228
where: short stacking energy: -4.688
Base-Backbone interact. energy: -0.004
local terms energy: -13.666025
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -3.360
flat angles C4'-P-C4' energy: -4.451
flat angles P-C4'-P energy: -1.257
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: 4
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -26.165631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.165631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.165631 (E_RNA)
where:
Base-Base interactions energy: -11.708
where: short stacking energy: -9.247
Base-Backbone interact. energy: -0.129
local terms energy: -14.328864
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -2.379
flat angles C4'-P-C4' energy: -3.692
flat angles P-C4'-P energy: -3.521
tors. eta vs tors. theta energy: -0.743
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: 89
Temperature: 1.300000
Total energy: -23.829076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.829076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.829076 (E_RNA)
where:
Base-Base interactions energy: -5.031
where: short stacking energy: -5.031
Base-Backbone interact. energy: -1.252
local terms energy: -17.546761
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -3.814
flat angles P-C4'-P energy: -2.668
tors. eta vs tors. theta energy: -1.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -27.599709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.599709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.599709 (E_RNA)
where:
Base-Base interactions energy: -12.962
where: short stacking energy: -12.962
Base-Backbone interact. energy: -0.000
local terms energy: -14.637981
where:
bonds (distance) C4'-P energy: -3.070
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.079
flat angles P-C4'-P energy: -0.377
tors. eta vs tors. theta energy: -3.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -34.628277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.628277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.628277 (E_RNA)
where:
Base-Base interactions energy: -13.333
where: short stacking energy: -13.333
Base-Backbone interact. energy: -0.000
local terms energy: -21.294939
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.569
flat angles C4'-P-C4' energy: -4.494
flat angles P-C4'-P energy: -2.642
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: 2, replica: 5
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -32.833425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.833425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.833425 (E_RNA)
where:
Base-Base interactions energy: -16.351
where: short stacking energy: -16.351
Base-Backbone interact. energy: -0.000
local terms energy: -16.482034
where:
bonds (distance) C4'-P energy: -2.954
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -2.938
flat angles P-C4'-P energy: -2.262
tors. eta vs tors. theta energy: -3.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -32.582076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.582076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.582076 (E_RNA)
where:
Base-Base interactions energy: -19.645
where: short stacking energy: -12.328
Base-Backbone interact. energy: -0.003
local terms energy: -12.933598
where:
bonds (distance) C4'-P energy: -2.395
bonds (distance) P-C4' energy: -3.815
flat angles C4'-P-C4' energy: -2.195
flat angles P-C4'-P energy: -1.838
tors. eta vs tors. theta energy: -2.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -29.831824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.831824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.831824 (E_RNA)
where:
Base-Base interactions energy: -12.258
where: short stacking energy: -12.258
Base-Backbone interact. energy: -0.000
local terms energy: -17.573416
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.297
flat angles P-C4'-P energy: -2.301
tors. eta vs tors. theta energy: -2.889
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: 9
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -32.369563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.369563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.369563 (E_RNA)
where:
Base-Base interactions energy: -14.994
where: short stacking energy: -14.994
Base-Backbone interact. energy: -0.000
local terms energy: -17.375946
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -2.842
flat angles C4'-P-C4' energy: -3.568
flat angles P-C4'-P energy: -3.307
tors. eta vs tors. theta energy: -3.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -29.806192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.806192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.806192 (E_RNA)
where:
Base-Base interactions energy: -12.263
where: short stacking energy: -12.263
Base-Backbone interact. energy: -0.000
local terms energy: -17.543479
where:
bonds (distance) C4'-P energy: -3.363
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.432
flat angles P-C4'-P energy: -2.815
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: 7, replica: 4
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -37.490713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.490713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.490713 (E_RNA)
where:
Base-Base interactions energy: -15.674
where: short stacking energy: -15.674
Base-Backbone interact. energy: -0.000
local terms energy: -21.816666
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.543
flat angles P-C4'-P energy: -3.035
tors. eta vs tors. theta energy: -4.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -28.438403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.438403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.438403 (E_RNA)
where:
Base-Base interactions energy: -13.932
where: short stacking energy: -13.932
Base-Backbone interact. energy: -0.000
local terms energy: -14.506452
where:
bonds (distance) C4'-P energy: -2.225
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -4.173
flat angles P-C4'-P energy: -2.028
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: 9, replica: 2
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -27.977894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.977894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.977894 (E_RNA)
where:
Base-Base interactions energy: -7.582
where: short stacking energy: -7.582
Base-Backbone interact. energy: -0.000
local terms energy: -20.396083
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -3.942
flat angles P-C4'-P energy: -3.484
tors. eta vs tors. theta energy: -3.772
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: 3
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -26.167440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.167440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.167440 (E_RNA)
where:
Base-Base interactions energy: -9.078
where: short stacking energy: -9.078
Base-Backbone interact. energy: -0.000
local terms energy: -17.089703
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -2.680
flat angles C4'-P-C4' energy: -3.431
flat angles P-C4'-P energy: -1.471
tors. eta vs tors. theta energy: -5.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -35.690587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.690587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.690587 (E_RNA)
where:
Base-Base interactions energy: -13.727
where: short stacking energy: -13.727
Base-Backbone interact. energy: -0.000
local terms energy: -21.963357
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -4.102
flat angles P-C4'-P energy: -3.636
tors. eta vs tors. theta energy: -5.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -36.954043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.954043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.954043 (E_RNA)
where:
Base-Base interactions energy: -16.691
where: short stacking energy: -16.691
Base-Backbone interact. energy: -0.000
local terms energy: -20.263184
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.631
flat angles C4'-P-C4' energy: -3.962
flat angles P-C4'-P energy: -3.710
tors. eta vs tors. theta energy: -3.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -31.801476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.801476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.801476 (E_RNA)
where:
Base-Base interactions energy: -12.376
where: short stacking energy: -12.376
Base-Backbone interact. energy: -0.003
local terms energy: -19.423201
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.559
flat angles P-C4'-P energy: -3.920
tors. eta vs tors. theta energy: -1.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -29.791257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.791257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.791257 (E_RNA)
where:
Base-Base interactions energy: -13.965
where: short stacking energy: -13.965
Base-Backbone interact. energy: -0.000
local terms energy: -15.826568
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -4.106
flat angles C4'-P-C4' energy: -3.856
flat angles P-C4'-P energy: -1.988
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: 5, replica: 1
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -30.953103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.953103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.953103 (E_RNA)
where:
Base-Base interactions energy: -12.637
where: short stacking energy: -12.637
Base-Backbone interact. energy: -0.000
local terms energy: -18.316429
where:
bonds (distance) C4'-P energy: -3.745
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -3.555
flat angles P-C4'-P energy: -3.630
tors. eta vs tors. theta energy: -2.955
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: 4
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -28.569855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.569855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.569855 (E_RNA)
where:
Base-Base interactions energy: -9.039
where: short stacking energy: -9.039
Base-Backbone interact. energy: -0.000
local terms energy: -19.530465
where:
bonds (distance) C4'-P energy: -3.335
bonds (distance) P-C4' energy: -4.842
flat angles C4'-P-C4' energy: -4.325
flat angles P-C4'-P energy: -2.709
tors. eta vs tors. theta energy: -4.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -26.049875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.049875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.049875 (E_RNA)
where:
Base-Base interactions energy: -9.825
where: short stacking energy: -4.351
Base-Backbone interact. energy: -0.097
local terms energy: -16.128426
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.094
flat angles P-C4'-P energy: -3.377
tors. eta vs tors. theta energy: 0.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -25.327984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.327984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.327984 (E_RNA)
where:
Base-Base interactions energy: -7.148
where: short stacking energy: -7.148
Base-Backbone interact. energy: -0.000
local terms energy: -18.179666
where:
bonds (distance) C4'-P energy: -3.247
bonds (distance) P-C4' energy: -3.360
flat angles C4'-P-C4' energy: -4.191
flat angles P-C4'-P energy: -2.971
tors. eta vs tors. theta energy: -4.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -23.979989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.979989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.979989 (E_RNA)
where:
Base-Base interactions energy: -8.709
where: short stacking energy: -8.709
Base-Backbone interact. energy: -0.000
local terms energy: -15.270506
where:
bonds (distance) C4'-P energy: -2.573
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -3.785
flat angles P-C4'-P energy: -1.836
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: 3
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -25.391743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.391743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.391743 (E_RNA)
where:
Base-Base interactions energy: -8.788
where: short stacking energy: -8.788
Base-Backbone interact. energy: -0.002
local terms energy: -16.601273
where:
bonds (distance) C4'-P energy: -3.753
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.575
flat angles P-C4'-P energy: -2.592
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: 5
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -36.775523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.775523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.775523 (E_RNA)
where:
Base-Base interactions energy: -17.194
where: short stacking energy: -17.194
Base-Backbone interact. energy: -0.000
local terms energy: -19.581565
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -4.674
flat angles C4'-P-C4' energy: -4.524
flat angles P-C4'-P energy: -3.414
tors. eta vs tors. theta energy: -3.312
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: 10
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -35.277623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.277623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.277623 (E_RNA)
where:
Base-Base interactions energy: -16.691
where: short stacking energy: -16.691
Base-Backbone interact. energy: -0.000
local terms energy: -18.586159
where:
bonds (distance) C4'-P energy: -3.781
bonds (distance) P-C4' energy: -4.156
flat angles C4'-P-C4' energy: -4.667
flat angles P-C4'-P energy: -2.218
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: 3, replica: 6
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -33.235472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.235472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.235472 (E_RNA)
where:
Base-Base interactions energy: -14.589
where: short stacking energy: -14.589
Base-Backbone interact. energy: -0.000
local terms energy: -18.646750
where:
bonds (distance) C4'-P energy: -4.154
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -2.519
flat angles P-C4'-P energy: -3.587
tors. eta vs tors. theta energy: -3.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -35.629097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.629097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.629097 (E_RNA)
where:
Base-Base interactions energy: -14.943
where: short stacking energy: -14.943
Base-Backbone interact. energy: -0.000
local terms energy: -20.686506
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.697
flat angles P-C4'-P energy: -3.035
tors. eta vs tors. theta energy: -4.542
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: 4
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -33.787437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.787437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.787437 (E_RNA)
where:
Base-Base interactions energy: -16.420
where: short stacking energy: -16.420
Base-Backbone interact. energy: -0.000
local terms energy: -17.367823
where:
bonds (distance) C4'-P energy: -2.387
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -3.873
flat angles P-C4'-P energy: -2.263
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: 6, replica: 1
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -29.007210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.007210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.007210 (E_RNA)
where:
Base-Base interactions energy: -13.143
where: short stacking energy: -13.143
Base-Backbone interact. energy: -0.000
local terms energy: -15.864132
where:
bonds (distance) C4'-P energy: -2.216
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -2.866
flat angles P-C4'-P energy: -3.018
tors. eta vs tors. theta energy: -2.639
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: 2
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -30.351280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.351280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.351280 (E_RNA)
where:
Base-Base interactions energy: -12.139
where: short stacking energy: -12.139
Base-Backbone interact. energy: -0.000
local terms energy: -18.212664
where:
bonds (distance) C4'-P energy: -2.983
bonds (distance) P-C4' energy: -4.205
flat angles C4'-P-C4' energy: -4.468
flat angles P-C4'-P energy: -3.403
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: 8, replica: 7
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -34.129631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.129631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.129631 (E_RNA)
where:
Base-Base interactions energy: -16.720
where: short stacking energy: -16.720
Base-Backbone interact. energy: -0.000
local terms energy: -17.409807
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -2.778
flat angles C4'-P-C4' energy: -3.571
flat angles P-C4'-P energy: -1.816
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: 9, replica: 3
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -25.617783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.617783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.617783 (E_RNA)
where:
Base-Base interactions energy: -11.321
where: short stacking energy: -7.396
Base-Backbone interact. energy: -0.000
local terms energy: -14.296913
where:
bonds (distance) C4'-P energy: -2.681
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.940
flat angles P-C4'-P energy: -3.116
tors. eta vs tors. theta energy: 0.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -29.569640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.569640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.569640 (E_RNA)
where:
Base-Base interactions energy: -12.542
where: short stacking energy: -12.542
Base-Backbone interact. energy: -0.000
local terms energy: -17.027506
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.177
flat angles C4'-P-C4' energy: -4.536
flat angles P-C4'-P energy: -3.222
tors. eta vs tors. theta energy: -0.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -32.635176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.635176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.635176 (E_RNA)
where:
Base-Base interactions energy: -13.448
where: short stacking energy: -13.448
Base-Backbone interact. energy: -0.000
local terms energy: -19.186960
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -3.793
flat angles C4'-P-C4' energy: -3.341
flat angles P-C4'-P energy: -2.253
tors. eta vs tors. theta energy: -5.174
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: 6
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -31.276016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.276016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.276016 (E_RNA)
where:
Base-Base interactions energy: -13.331
where: short stacking energy: -13.331
Base-Backbone interact. energy: -0.034
local terms energy: -17.911102
where:
bonds (distance) C4'-P energy: -3.815
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.097
flat angles P-C4'-P energy: -2.406
tors. eta vs tors. theta energy: -2.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -30.228085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.228085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.228085 (E_RNA)
where:
Base-Base interactions energy: -12.716
where: short stacking energy: -12.716
Base-Backbone interact. energy: -0.000
local terms energy: -17.512353
where:
bonds (distance) C4'-P energy: -3.161
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -4.536
flat angles P-C4'-P energy: -2.087
tors. eta vs tors. theta energy: -2.839
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: 4
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -32.193050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.193050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.193050 (E_RNA)
where:
Base-Base interactions energy: -13.095
where: short stacking energy: -13.095
Base-Backbone interact. energy: -0.000
local terms energy: -19.097844
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -4.402
flat angles P-C4'-P energy: -3.806
tors. eta vs tors. theta energy: -2.652
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: 5, replica: 9
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -25.192537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.192537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.192537 (E_RNA)
where:
Base-Base interactions energy: -7.908
where: short stacking energy: -7.908
Base-Backbone interact. energy: -0.011
local terms energy: -17.273994
where:
bonds (distance) C4'-P energy: -3.699
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -2.809
flat angles P-C4'-P energy: -3.074
tors. eta vs tors. theta energy: -2.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -25.565656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.565656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.565656 (E_RNA)
where:
Base-Base interactions energy: -12.047
where: short stacking energy: -12.047
Base-Backbone interact. energy: -0.039
local terms energy: -13.479449
where:
bonds (distance) C4'-P energy: -3.194
bonds (distance) P-C4' energy: -2.391
flat angles C4'-P-C4' energy: -4.486
flat angles P-C4'-P energy: -1.256
tors. eta vs tors. theta energy: -2.153
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: 1
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -25.257497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.257497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.257497 (E_RNA)
where:
Base-Base interactions energy: -7.015
where: short stacking energy: -7.015
Base-Backbone interact. energy: -0.085
local terms energy: -18.158201
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -4.314
flat angles P-C4'-P energy: -3.765
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: 8, replica: 3
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -24.676849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.676849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.676849 (E_RNA)
where:
Base-Base interactions energy: -11.215
where: short stacking energy: -11.215
Base-Backbone interact. energy: -0.000
local terms energy: -13.462250
where:
bonds (distance) C4'-P energy: -1.827
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -2.667
flat angles P-C4'-P energy: -1.151
tors. eta vs tors. theta energy: -2.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -26.095761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.095761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.095761 (E_RNA)
where:
Base-Base interactions energy: -10.359
where: short stacking energy: -3.916
Base-Backbone interact. energy: -0.001
local terms energy: -15.735931
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -4.395
flat angles C4'-P-C4' energy: -4.025
flat angles P-C4'-P energy: -2.236
tors. eta vs tors. theta energy: -0.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -24.145292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.145292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.145292 (E_RNA)
where:
Base-Base interactions energy: -11.534
where: short stacking energy: -11.534
Base-Backbone interact. energy: -0.000
local terms energy: -12.611178
where:
bonds (distance) C4'-P energy: -2.027
bonds (distance) P-C4' energy: -3.708
flat angles C4'-P-C4' energy: -1.851
flat angles P-C4'-P energy: -2.854
tors. eta vs tors. theta energy: -2.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -35.812492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.812492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.812492 (E_RNA)
where:
Base-Base interactions energy: -18.153
where: short stacking energy: -7.790
Base-Backbone interact. energy: -0.003
local terms energy: -17.656181
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -3.301
flat angles C4'-P-C4' energy: -4.816
flat angles P-C4'-P energy: -3.441
tors. eta vs tors. theta energy: -1.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -32.119851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.119851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.119851 (E_RNA)
where:
Base-Base interactions energy: -10.831
where: short stacking energy: -10.831
Base-Backbone interact. energy: -0.000
local terms energy: -21.289099
where:
bonds (distance) C4'-P energy: -3.923
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -3.600
flat angles P-C4'-P energy: -3.757
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: 3, replica: 4
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -34.957863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.957863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.957863 (E_RNA)
where:
Base-Base interactions energy: -14.711
where: short stacking energy: -14.711
Base-Backbone interact. energy: -0.000
local terms energy: -20.246712
where:
bonds (distance) C4'-P energy: -3.161
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -4.820
flat angles P-C4'-P energy: -2.400
tors. eta vs tors. theta energy: -5.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -37.987056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.987056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.987056 (E_RNA)
where:
Base-Base interactions energy: -16.476
where: short stacking energy: -16.476
Base-Backbone interact. energy: -0.000
local terms energy: -21.511244
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -4.678
flat angles P-C4'-P energy: -3.688
tors. eta vs tors. theta energy: -4.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -27.496921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.496921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.496921 (E_RNA)
where:
Base-Base interactions energy: -11.591
where: short stacking energy: -11.591
Base-Backbone interact. energy: -0.000
local terms energy: -15.906303
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -3.106
flat angles C4'-P-C4' energy: -4.683
flat angles P-C4'-P energy: -2.556
tors. eta vs tors. theta energy: -1.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -31.816400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.816400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.816400 (E_RNA)
where:
Base-Base interactions energy: -10.708
where: short stacking energy: -10.708
Base-Backbone interact. energy: -0.000
local terms energy: -21.108618
where:
bonds (distance) C4'-P energy: -3.558
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.118
flat angles P-C4'-P energy: -3.795
tors. eta vs tors. theta energy: -4.284
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: 7, replica: 3
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -30.290521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.290521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.290521 (E_RNA)
where:
Base-Base interactions energy: -16.649
where: short stacking energy: -16.649
Base-Backbone interact. energy: -0.000
local terms energy: -13.641987
where:
bonds (distance) C4'-P energy: -4.038
bonds (distance) P-C4' energy: -3.984
flat angles C4'-P-C4' energy: -0.260
flat angles P-C4'-P energy: -1.222
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: 8, replica: 1
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -24.674685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.674685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.674685 (E_RNA)
where:
Base-Base interactions energy: -7.471
where: short stacking energy: -7.471
Base-Backbone interact. energy: -0.000
local terms energy: -17.203799
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -3.729
flat angles P-C4'-P energy: -2.200
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: 9, replica: 8
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -26.072083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.072083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.072083 (E_RNA)
where:
Base-Base interactions energy: -10.782
where: short stacking energy: -10.782
Base-Backbone interact. energy: -0.000
local terms energy: -15.290508
where:
bonds (distance) C4'-P energy: -2.415
bonds (distance) P-C4' energy: -3.494
flat angles C4'-P-C4' energy: -3.961
flat angles P-C4'-P energy: -3.014
tors. eta vs tors. theta energy: -2.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -25.557097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.557097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.557097 (E_RNA)
where:
Base-Base interactions energy: -8.293
where: short stacking energy: -8.293
Base-Backbone interact. energy: -0.000
local terms energy: -17.264218
where:
bonds (distance) C4'-P energy: -3.558
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -3.874
flat angles P-C4'-P energy: -3.637
tors. eta vs tors. theta energy: -1.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -34.241001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.241001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.241001 (E_RNA)
where:
Base-Base interactions energy: -13.787
where: short stacking energy: -13.787
Base-Backbone interact. energy: -0.000
local terms energy: -20.454183
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.320
flat angles P-C4'-P energy: -2.910
tors. eta vs tors. theta energy: -3.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -40.640475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.640475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.640475 (E_RNA)
where:
Base-Base interactions energy: -18.439
where: short stacking energy: -18.439
Base-Backbone interact. energy: -0.000
local terms energy: -22.201256
where:
bonds (distance) C4'-P energy: -3.629
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -4.702
flat angles P-C4'-P energy: -3.891
tors. eta vs tors. theta energy: -5.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -31.696243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.696243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.696243 (E_RNA)
where:
Base-Base interactions energy: -11.895
where: short stacking energy: -11.895
Base-Backbone interact. energy: -0.005
local terms energy: -19.796114
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.296
flat angles P-C4'-P energy: -3.105
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: 4, replica: 9
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -29.530097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.530097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.530097 (E_RNA)
where:
Base-Base interactions energy: -12.277
where: short stacking energy: -12.277
Base-Backbone interact. energy: -0.000
local terms energy: -17.252791
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -3.071
flat angles C4'-P-C4' energy: -3.803
flat angles P-C4'-P energy: -3.826
tors. eta vs tors. theta energy: -2.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -34.732407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.732407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.732407 (E_RNA)
where:
Base-Base interactions energy: -15.491
where: short stacking energy: -15.491
Base-Backbone interact. energy: -0.000
local terms energy: -19.241545
where:
bonds (distance) C4'-P energy: -3.923
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.218
flat angles P-C4'-P energy: -2.263
tors. eta vs tors. theta energy: -3.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -29.456629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.456629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.456629 (E_RNA)
where:
Base-Base interactions energy: -12.185
where: short stacking energy: -12.185
Base-Backbone interact. energy: -0.000
local terms energy: -17.271777
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -3.469
flat angles C4'-P-C4' energy: -4.192
flat angles P-C4'-P energy: -2.567
tors. eta vs tors. theta energy: -2.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -29.321365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.321365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.321365 (E_RNA)
where:
Base-Base interactions energy: -14.540
where: short stacking energy: -14.540
Base-Backbone interact. energy: -0.000
local terms energy: -14.781551
where:
bonds (distance) C4'-P energy: -3.326
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -0.715
flat angles P-C4'-P energy: -0.956
tors. eta vs tors. theta energy: -4.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -32.009216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.009216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.009216 (E_RNA)
where:
Base-Base interactions energy: -16.409
where: short stacking energy: -16.409
Base-Backbone interact. energy: -0.000
local terms energy: -15.600448
where:
bonds (distance) C4'-P energy: -2.452
bonds (distance) P-C4' energy: -2.581
flat angles C4'-P-C4' energy: -2.809
flat angles P-C4'-P energy: -2.809
tors. eta vs tors. theta energy: -4.949
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: 1
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -25.938899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.938899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.938899 (E_RNA)
where:
Base-Base interactions energy: -11.585
where: short stacking energy: -11.585
Base-Backbone interact. energy: -0.098
local terms energy: -14.255631
where:
bonds (distance) C4'-P energy: -3.673
bonds (distance) P-C4' energy: -3.984
flat angles C4'-P-C4' energy: -3.239
flat angles P-C4'-P energy: -1.780
tors. eta vs tors. theta energy: -1.579
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: 95
Temperature: 1.350000
Total energy: -25.119352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.119352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.119352 (E_RNA)
where:
Base-Base interactions energy: -8.443
where: short stacking energy: -8.443
Base-Backbone interact. energy: -0.047
local terms energy: -16.630090
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -4.149
flat angles C4'-P-C4' energy: -3.071
flat angles P-C4'-P energy: -2.896
tors. eta vs tors. theta energy: -2.298
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: 4
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -31.147141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.147141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.147141 (E_RNA)
where:
Base-Base interactions energy: -13.292
where: short stacking energy: -13.292
Base-Backbone interact. energy: -0.000
local terms energy: -17.854717
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -3.941
flat angles C4'-P-C4' energy: -4.201
flat angles P-C4'-P energy: -3.301
tors. eta vs tors. theta energy: -2.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -39.738464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.738464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.738464 (E_RNA)
where:
Base-Base interactions energy: -18.405
where: short stacking energy: -18.405
Base-Backbone interact. energy: -0.000
local terms energy: -21.333510
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.628
flat angles C4'-P-C4' energy: -3.548
flat angles P-C4'-P energy: -3.503
tors. eta vs tors. theta energy: -5.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -34.935142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.935142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.935142 (E_RNA)
where:
Base-Base interactions energy: -15.233
where: short stacking energy: -15.233
Base-Backbone interact. energy: -0.000
local terms energy: -19.701672
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -4.392
flat angles C4'-P-C4' energy: -4.269
flat angles P-C4'-P energy: -2.559
tors. eta vs tors. theta energy: -3.956
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: 5
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -31.363248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.363248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.363248 (E_RNA)
where:
Base-Base interactions energy: -12.841
where: short stacking energy: -12.841
Base-Backbone interact. energy: -0.000
local terms energy: -18.522077
where:
bonds (distance) C4'-P energy: -3.753
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.061
flat angles P-C4'-P energy: -2.896
tors. eta vs tors. theta energy: -2.694
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: 3
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -27.241275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.241275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.241275 (E_RNA)
where:
Base-Base interactions energy: -9.207
where: short stacking energy: -9.207
Base-Backbone interact. energy: -0.000
local terms energy: -18.034070
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -1.489
flat angles P-C4'-P energy: -2.852
tors. eta vs tors. theta energy: -4.474
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: 10
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -30.484544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.484544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.484544 (E_RNA)
where:
Base-Base interactions energy: -11.470
where: short stacking energy: -11.470
Base-Backbone interact. energy: -0.000
local terms energy: -19.014701
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.170
flat angles P-C4'-P energy: -3.120
tors. eta vs tors. theta energy: -2.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -28.723279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.723279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.723279 (E_RNA)
where:
Base-Base interactions energy: -10.761
where: short stacking energy: -10.761
Base-Backbone interact. energy: -0.000
local terms energy: -17.962300
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -3.360
flat angles C4'-P-C4' energy: -3.988
flat angles P-C4'-P energy: -3.192
tors. eta vs tors. theta energy: -3.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -28.326531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.326531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.326531 (E_RNA)
where:
Base-Base interactions energy: -8.582
where: short stacking energy: -8.582
Base-Backbone interact. energy: -0.001
local terms energy: -19.743973
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -3.909
flat angles P-C4'-P energy: -2.901
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: 9, replica: 7
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -27.353452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.353452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.353452 (E_RNA)
where:
Base-Base interactions energy: -9.475
where: short stacking energy: -9.475
Base-Backbone interact. energy: -0.000
local terms energy: -17.878697
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.037
flat angles P-C4'-P energy: -1.681
tors. eta vs tors. theta energy: -2.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -25.212903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.212903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.212903 (E_RNA)
where:
Base-Base interactions energy: -12.622
where: short stacking energy: -12.622
Base-Backbone interact. energy: -0.066
local terms energy: -12.524559
where:
bonds (distance) C4'-P energy: 0.164
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.103
flat angles P-C4'-P energy: -2.114
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: 4
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -31.203882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.203882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.203882 (E_RNA)
where:
Base-Base interactions energy: -12.328
where: short stacking energy: -12.328
Base-Backbone interact. energy: -0.000
local terms energy: -18.875239
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.220
flat angles P-C4'-P energy: -1.877
tors. eta vs tors. theta energy: -3.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -36.629645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.629645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.629645 (E_RNA)
where:
Base-Base interactions energy: -16.749
where: short stacking energy: -16.749
Base-Backbone interact. energy: -0.000
local terms energy: -19.880458
where:
bonds (distance) C4'-P energy: -3.285
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.767
flat angles P-C4'-P energy: -3.473
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: 3, replica: 6
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -31.488976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.488976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.488976 (E_RNA)
where:
Base-Base interactions energy: -13.918
where: short stacking energy: -9.932
Base-Backbone interact. energy: -0.003
local terms energy: -17.567774
where:
bonds (distance) C4'-P energy: -4.341
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -3.566
flat angles P-C4'-P energy: -3.320
tors. eta vs tors. theta energy: -1.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -30.644232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.644232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.644232 (E_RNA)
where:
Base-Base interactions energy: -12.910
where: short stacking energy: -12.910
Base-Backbone interact. energy: -0.000
local terms energy: -17.734170
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -3.360
flat angles C4'-P-C4' energy: -4.490
flat angles P-C4'-P energy: -2.335
tors. eta vs tors. theta energy: -3.548
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: 5
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -30.118510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.118510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.118510 (E_RNA)
where:
Base-Base interactions energy: -13.729
where: short stacking energy: -13.729
Base-Backbone interact. energy: -0.000
local terms energy: -16.389136
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -3.332
flat angles C4'-P-C4' energy: -4.042
flat angles P-C4'-P energy: -2.206
tors. eta vs tors. theta energy: -2.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -26.646326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.646326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.646326 (E_RNA)
where:
Base-Base interactions energy: -12.264
where: short stacking energy: -8.474
Base-Backbone interact. energy: -0.144
local terms energy: -14.238699
where:
bonds (distance) C4'-P energy: -3.861
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.337
flat angles P-C4'-P energy: -3.846
tors. eta vs tors. theta energy: 1.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -30.689288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.689288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.689288 (E_RNA)
where:
Base-Base interactions energy: -12.877
where: short stacking energy: -12.877
Base-Backbone interact. energy: -0.000
local terms energy: -17.812379
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -4.406
flat angles C4'-P-C4' energy: -3.886
flat angles P-C4'-P energy: -2.844
tors. eta vs tors. theta energy: -2.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -27.894674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.894674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.894674 (E_RNA)
where:
Base-Base interactions energy: -10.704
where: short stacking energy: -10.704
Base-Backbone interact. energy: -0.004
local terms energy: -17.186760
where:
bonds (distance) C4'-P energy: -2.556
bonds (distance) P-C4' energy: -3.781
flat angles C4'-P-C4' energy: -4.073
flat angles P-C4'-P energy: -3.005
tors. eta vs tors. theta energy: -3.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -24.003936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.003936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.003936 (E_RNA)
where:
Base-Base interactions energy: -12.378
where: short stacking energy: -12.378
Base-Backbone interact. energy: -0.000
local terms energy: -11.625769
where:
bonds (distance) C4'-P energy: -3.923
bonds (distance) P-C4' energy: -3.981
flat angles C4'-P-C4' energy: 0.279
flat angles P-C4'-P energy: -2.086
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: 10, replica: 1
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -27.519260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.519260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.519260 (E_RNA)
where:
Base-Base interactions energy: -11.923
where: short stacking energy: -3.331
Base-Backbone interact. energy: -0.001
local terms energy: -15.595783
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -2.379
flat angles P-C4'-P energy: -2.649
tors. eta vs tors. theta energy: -1.595
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: 1, replica: 9
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -36.629728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.629728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.629728 (E_RNA)
where:
Base-Base interactions energy: -16.797
where: short stacking energy: -16.797
Base-Backbone interact. energy: -0.000
local terms energy: -19.832267
where:
bonds (distance) C4'-P energy: -3.363
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.154
flat angles P-C4'-P energy: -4.102
tors. eta vs tors. theta energy: -3.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -29.817476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.817476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.817476 (E_RNA)
where:
Base-Base interactions energy: -10.627
where: short stacking energy: -10.627
Base-Backbone interact. energy: -0.003
local terms energy: -19.187644
where:
bonds (distance) C4'-P energy: -3.078
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.419
flat angles P-C4'-P energy: -3.976
tors. eta vs tors. theta energy: -2.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -32.453356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.453356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.453356 (E_RNA)
where:
Base-Base interactions energy: -12.946
where: short stacking energy: -12.946
Base-Backbone interact. energy: -0.000
local terms energy: -19.507703
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -4.318
flat angles C4'-P-C4' energy: -4.750
flat angles P-C4'-P energy: -2.810
tors. eta vs tors. theta energy: -3.414
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: 6
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -34.024267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.024267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.024267 (E_RNA)
where:
Base-Base interactions energy: -13.038
where: short stacking energy: -13.038
Base-Backbone interact. energy: -0.000
local terms energy: -20.985768
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.534
flat angles P-C4'-P energy: -3.205
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: 5, replica: 10
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -36.089238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.089238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.089238 (E_RNA)
where:
Base-Base interactions energy: -16.394
where: short stacking energy: -16.394
Base-Backbone interact. energy: -0.000
local terms energy: -19.695195
where:
bonds (distance) C4'-P energy: -3.430
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -3.980
flat angles P-C4'-P energy: -2.451
tors. eta vs tors. theta energy: -4.978
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: 5
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -26.361138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.361138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.361138 (E_RNA)
where:
Base-Base interactions energy: -7.795
where: short stacking energy: -7.795
Base-Backbone interact. energy: -0.000
local terms energy: -18.565685
where:
bonds (distance) C4'-P energy: -3.389
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -2.945
flat angles P-C4'-P energy: -4.031
tors. eta vs tors. theta energy: -3.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -31.269347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.269347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.269347 (E_RNA)
where:
Base-Base interactions energy: -12.385
where: short stacking energy: -12.385
Base-Backbone interact. energy: -0.000
local terms energy: -18.884072
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.132
flat angles P-C4'-P energy: -3.107
tors. eta vs tors. theta energy: -3.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -27.212319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.212319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.212319 (E_RNA)
where:
Base-Base interactions energy: -12.666
where: short stacking energy: -12.666
Base-Backbone interact. energy: -0.063
local terms energy: -14.482627
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -2.339
flat angles C4'-P-C4' energy: -3.563
flat angles P-C4'-P energy: -2.940
tors. eta vs tors. theta energy: -1.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -22.090480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.090480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.090480 (E_RNA)
where:
Base-Base interactions energy: -7.275
where: short stacking energy: -7.275
Base-Backbone interact. energy: -0.002
local terms energy: -14.812944
where:
bonds (distance) C4'-P energy: -3.185
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.275
flat angles P-C4'-P energy: -2.327
tors. eta vs tors. theta energy: -0.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -24.388044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.388044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.388044 (E_RNA)
where:
Base-Base interactions energy: -5.816
where: short stacking energy: -5.816
Base-Backbone interact. energy: -0.000
local terms energy: -18.571794
where:
bonds (distance) C4'-P energy: -3.380
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.766
flat angles P-C4'-P energy: -3.204
tors. eta vs tors. theta energy: -3.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -38.796556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.796556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.796556 (E_RNA)
where:
Base-Base interactions energy: -17.646
where: short stacking energy: -17.646
Base-Backbone interact. energy: -0.000
local terms energy: -21.150674
where:
bonds (distance) C4'-P energy: -3.558
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -4.296
flat angles P-C4'-P energy: -3.748
tors. eta vs tors. theta energy: -4.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -33.531467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.531467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.531467 (E_RNA)
where:
Base-Base interactions energy: -13.678
where: short stacking energy: -13.678
Base-Backbone interact. energy: -0.000
local terms energy: -19.853168
where:
bonds (distance) C4'-P energy: -4.634
bonds (distance) P-C4' energy: -4.606
flat angles C4'-P-C4' energy: -3.752
flat angles P-C4'-P energy: -1.729
tors. eta vs tors. theta energy: -5.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -31.347552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.347552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.347552 (E_RNA)
where:
Base-Base interactions energy: -14.165
where: short stacking energy: -14.165
Base-Backbone interact. energy: -0.002
local terms energy: -17.181191
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -4.571
flat angles P-C4'-P energy: -2.642
tors. eta vs tors. theta energy: -1.040
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: 6
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -36.877175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.877175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.877175 (E_RNA)
where:
Base-Base interactions energy: -16.980
where: short stacking energy: -16.980
Base-Backbone interact. energy: -0.000
local terms energy: -19.897513
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -4.367
flat angles C4'-P-C4' energy: -3.673
flat angles P-C4'-P energy: -2.534
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: 5, replica: 10
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -28.430862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.430862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.430862 (E_RNA)
where:
Base-Base interactions energy: -11.774
where: short stacking energy: -11.774
Base-Backbone interact. energy: -0.000
local terms energy: -16.656430
where:
bonds (distance) C4'-P energy: -2.892
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -4.502
flat angles P-C4'-P energy: -2.882
tors. eta vs tors. theta energy: -1.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -28.948718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.948718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.948718 (E_RNA)
where:
Base-Base interactions energy: -11.546
where: short stacking energy: -11.546
Base-Backbone interact. energy: -0.002
local terms energy: -17.400831
where:
bonds (distance) C4'-P energy: -3.363
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -2.465
flat angles P-C4'-P energy: -3.218
tors. eta vs tors. theta energy: -3.466
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: 7
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -26.238548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.238548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.238548 (E_RNA)
where:
Base-Base interactions energy: -11.009
where: short stacking energy: -11.009
Base-Backbone interact. energy: -0.004
local terms energy: -15.225971
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -3.678
flat angles P-C4'-P energy: -2.909
tors. eta vs tors. theta energy: -0.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -26.124596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.124596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.124596 (E_RNA)
where:
Base-Base interactions energy: -8.740
where: short stacking energy: -8.740
Base-Backbone interact. energy: -0.001
local terms energy: -17.383426
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -2.429
flat angles P-C4'-P energy: -3.473
tors. eta vs tors. theta energy: -2.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -29.485428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.485428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.485428 (E_RNA)
where:
Base-Base interactions energy: -12.287
where: short stacking energy: -12.287
Base-Backbone interact. energy: -0.000
local terms energy: -17.198343
where:
bonds (distance) C4'-P energy: -3.923
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.141
flat angles P-C4'-P energy: -0.806
tors. eta vs tors. theta energy: -4.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -26.727764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.727764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.727764 (E_RNA)
where:
Base-Base interactions energy: -12.257
where: short stacking energy: -12.257
Base-Backbone interact. energy: -0.000
local terms energy: -14.470545
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -2.043
flat angles C4'-P-C4' energy: -2.181
flat angles P-C4'-P energy: -2.873
tors. eta vs tors. theta energy: -2.855
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: 9
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -35.292935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.292935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.292935 (E_RNA)
where:
Base-Base interactions energy: -17.589
where: short stacking energy: -17.589
Base-Backbone interact. energy: -0.000
local terms energy: -17.703804
where:
bonds (distance) C4'-P energy: -2.812
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.904
flat angles P-C4'-P energy: -2.069
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: 2, replica: 3
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -34.368567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.368567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.368567 (E_RNA)
where:
Base-Base interactions energy: -13.443
where: short stacking energy: -13.443
Base-Backbone interact. energy: -0.001
local terms energy: -20.925082
where:
bonds (distance) C4'-P energy: -4.419
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.647
flat angles P-C4'-P energy: -3.709
tors. eta vs tors. theta energy: -3.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -33.582066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.582066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.582066 (E_RNA)
where:
Base-Base interactions energy: -15.850
where: short stacking energy: -15.850
Base-Backbone interact. energy: -0.000
local terms energy: -17.731723
where:
bonds (distance) C4'-P energy: -4.171
bonds (distance) P-C4' energy: -3.134
flat angles C4'-P-C4' energy: -4.182
flat angles P-C4'-P energy: -1.874
tors. eta vs tors. theta energy: -4.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -33.220953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.220953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.220953 (E_RNA)
where:
Base-Base interactions energy: -13.599
where: short stacking energy: -13.599
Base-Backbone interact. energy: -0.000
local terms energy: -19.622398
where:
bonds (distance) C4'-P energy: -3.256
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.819
flat angles P-C4'-P energy: -2.848
tors. eta vs tors. theta energy: -4.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -29.723310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.723310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.723310 (E_RNA)
where:
Base-Base interactions energy: -11.952
where: short stacking energy: -11.952
Base-Backbone interact. energy: -0.001
local terms energy: -17.770018
where:
bonds (distance) C4'-P energy: -2.913
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.235
flat angles P-C4'-P energy: -2.354
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: 6, replica: 10
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -27.839263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.839263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.839263 (E_RNA)
where:
Base-Base interactions energy: -8.627
where: short stacking energy: -8.627
Base-Backbone interact. energy: -0.000
local terms energy: -19.211953
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -4.115
flat angles P-C4'-P energy: -3.186
tors. eta vs tors. theta energy: -3.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -30.190596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.190596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.190596 (E_RNA)
where:
Base-Base interactions energy: -9.948
where: short stacking energy: -9.948
Base-Backbone interact. energy: -0.000
local terms energy: -20.242661
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.666
flat angles P-C4'-P energy: -3.650
tors. eta vs tors. theta energy: -2.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -28.643479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.643479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.643479 (E_RNA)
where:
Base-Base interactions energy: -9.249
where: short stacking energy: -9.249
Base-Backbone interact. energy: -0.000
local terms energy: -19.394589
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -3.106
flat angles C4'-P-C4' energy: -4.339
flat angles P-C4'-P energy: -2.753
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: 9, replica: 2
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -22.686419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.686419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.686419 (E_RNA)
where:
Base-Base interactions energy: -6.327
where: short stacking energy: -6.327
Base-Backbone interact. energy: -0.000
local terms energy: -16.359127
where:
bonds (distance) C4'-P energy: -3.247
bonds (distance) P-C4' energy: -3.811
flat angles C4'-P-C4' energy: -3.468
flat angles P-C4'-P energy: -2.991
tors. eta vs tors. theta energy: -2.841
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: 8
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -27.255652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.255652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.255652 (E_RNA)
where:
Base-Base interactions energy: -13.981
where: short stacking energy: -13.981
Base-Backbone interact. energy: -0.000
local terms energy: -13.274128
where:
bonds (distance) C4'-P energy: -2.423
bonds (distance) P-C4' energy: -3.494
flat angles C4'-P-C4' energy: -3.256
flat angles P-C4'-P energy: -0.854
tors. eta vs tors. theta energy: -3.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -36.331060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.331060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.331060 (E_RNA)
where:
Base-Base interactions energy: -16.618
where: short stacking energy: -16.618
Base-Backbone interact. energy: -0.000
local terms energy: -19.713295
where:
bonds (distance) C4'-P energy: -2.928
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -4.046
flat angles P-C4'-P energy: -3.765
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: 2, replica: 6
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -31.836577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.836577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.836577 (E_RNA)
where:
Base-Base interactions energy: -13.981
where: short stacking energy: -13.981
Base-Backbone interact. energy: -0.000
local terms energy: -17.855487
where:
bonds (distance) C4'-P energy: -3.773
bonds (distance) P-C4' energy: -3.364
flat angles C4'-P-C4' energy: -4.514
flat angles P-C4'-P energy: -3.007
tors. eta vs tors. theta energy: -3.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -32.588974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.588974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.588974 (E_RNA)
where:
Base-Base interactions energy: -13.926
where: short stacking energy: -13.926
Base-Backbone interact. energy: -0.000
local terms energy: -18.662979
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -2.925
flat angles P-C4'-P energy: -2.966
tors. eta vs tors. theta energy: -3.403
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: 4, replica: 5
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -34.931888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.931888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.931888 (E_RNA)
where:
Base-Base interactions energy: -17.983
where: short stacking energy: -17.983
Base-Backbone interact. energy: -0.000
local terms energy: -16.948975
where:
bonds (distance) C4'-P energy: -3.567
bonds (distance) P-C4' energy: -4.174
flat angles C4'-P-C4' energy: -4.114
flat angles P-C4'-P energy: -1.165
tors. eta vs tors. theta energy: -3.929
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: 4
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -35.507390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.507390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.507390 (E_RNA)
where:
Base-Base interactions energy: -16.877
where: short stacking energy: -16.877
Base-Backbone interact. energy: -0.000
local terms energy: -18.630755
where:
bonds (distance) C4'-P energy: -2.859
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.030
flat angles P-C4'-P energy: -2.586
tors. eta vs tors. theta energy: -4.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -29.577587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.577587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.577587 (E_RNA)
where:
Base-Base interactions energy: -13.513
where: short stacking energy: -13.513
Base-Backbone interact. energy: -0.000
local terms energy: -16.064920
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -3.708
flat angles C4'-P-C4' energy: -4.170
flat angles P-C4'-P energy: -1.014
tors. eta vs tors. theta energy: -2.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -26.847610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.847610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.847610 (E_RNA)
where:
Base-Base interactions energy: -11.882
where: short stacking energy: -11.882
Base-Backbone interact. energy: -0.009
local terms energy: -14.956452
where:
bonds (distance) C4'-P energy: -2.031
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -3.331
flat angles P-C4'-P energy: -3.161
tors. eta vs tors. theta energy: -1.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -23.226816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.226816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.226816 (E_RNA)
where:
Base-Base interactions energy: -8.482
where: short stacking energy: -8.482
Base-Backbone interact. energy: -0.000
local terms energy: -14.744365
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -3.336
flat angles C4'-P-C4' energy: -2.956
flat angles P-C4'-P energy: -0.490
tors. eta vs tors. theta energy: -3.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -26.267832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.267832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.267832 (E_RNA)
where:
Base-Base interactions energy: -6.856
where: short stacking energy: -6.856
Base-Backbone interact. energy: -0.000
local terms energy: -19.411638
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -4.438
flat angles P-C4'-P energy: -2.925
tors. eta vs tors. theta energy: -3.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -22.866227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.866227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.866227 (E_RNA)
where:
Base-Base interactions energy: -8.764
where: short stacking energy: -8.764
Base-Backbone interact. energy: -0.000
local terms energy: -14.102679
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -1.733
flat angles C4'-P-C4' energy: -3.839
flat angles P-C4'-P energy: -2.986
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: 6
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -37.945605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.945605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.945605 (E_RNA)
where:
Base-Base interactions energy: -17.213
where: short stacking energy: -17.213
Base-Backbone interact. energy: -0.000
local terms energy: -20.732492
where:
bonds (distance) C4'-P energy: -4.163
bonds (distance) P-C4' energy: -4.339
flat angles C4'-P-C4' energy: -4.239
flat angles P-C4'-P energy: -2.512
tors. eta vs tors. theta energy: -5.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -32.937425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.937425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.937425 (E_RNA)
where:
Base-Base interactions energy: -14.287
where: short stacking energy: -14.287
Base-Backbone interact. energy: -0.001
local terms energy: -18.649668
where:
bonds (distance) C4'-P energy: -3.745
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.308
flat angles P-C4'-P energy: -3.862
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: 3, replica: 5
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -29.999556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.999556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.999556 (E_RNA)
where:
Base-Base interactions energy: -11.928
where: short stacking energy: -11.928
Base-Backbone interact. energy: -0.001
local terms energy: -18.070841
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -1.848
flat angles P-C4'-P energy: -3.721
tors. eta vs tors. theta energy: -2.977
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: 102
Temperature: 1.050000
Total energy: -34.619287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.619287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.619287 (E_RNA)
where:
Base-Base interactions energy: -14.234
where: short stacking energy: -14.234
Base-Backbone interact. energy: -0.000
local terms energy: -20.385630
where:
bonds (distance) C4'-P energy: -3.699
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -4.481
flat angles P-C4'-P energy: -3.569
tors. eta vs tors. theta energy: -3.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -33.965309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.965309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.965309 (E_RNA)
where:
Base-Base interactions energy: -16.193
where: short stacking energy: -16.193
Base-Backbone interact. energy: -0.000
local terms energy: -17.772138
where:
bonds (distance) C4'-P energy: -2.958
bonds (distance) P-C4' energy: -4.600
flat angles C4'-P-C4' energy: -3.861
flat angles P-C4'-P energy: -2.581
tors. eta vs tors. theta energy: -3.772
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: 4
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -37.069573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.069573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.069573 (E_RNA)
where:
Base-Base interactions energy: -17.485
where: short stacking energy: -17.485
Base-Backbone interact. energy: -0.000
local terms energy: -19.584942
where:
bonds (distance) C4'-P energy: -3.745
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -3.760
flat angles P-C4'-P energy: -3.528
tors. eta vs tors. theta energy: -4.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -23.828511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.828511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.828511 (E_RNA)
where:
Base-Base interactions energy: -10.086
where: short stacking energy: -5.664
Base-Backbone interact. energy: -0.076
local terms energy: -13.666086
where:
bonds (distance) C4'-P energy: -2.263
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -2.011
flat angles P-C4'-P energy: -3.537
tors. eta vs tors. theta energy: -0.995
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: 10
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -23.697077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.697077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.697077 (E_RNA)
where:
Base-Base interactions energy: -9.168
where: short stacking energy: -9.168
Base-Backbone interact. energy: -0.000
local terms energy: -14.528559
where:
bonds (distance) C4'-P energy: -3.318
bonds (distance) P-C4' energy: -3.096
flat angles C4'-P-C4' energy: -3.504
flat angles P-C4'-P energy: -3.643
tors. eta vs tors. theta energy: -0.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -31.710618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.710618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.710618 (E_RNA)
where:
Base-Base interactions energy: -12.656
where: short stacking energy: -12.656
Base-Backbone interact. energy: -0.000
local terms energy: -19.054622
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -3.641
flat angles P-C4'-P energy: -1.337
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: 10, replica: 7
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -20.379523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.379523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.379523 (E_RNA)
where:
Base-Base interactions energy: -7.058
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.078
local terms energy: -13.243245
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.586
flat angles P-C4'-P energy: -2.262
tors. eta vs tors. theta energy: 2.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -38.104260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.104260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.104260 (E_RNA)
where:
Base-Base interactions energy: -17.280
where: short stacking energy: -17.280
Base-Backbone interact. energy: -0.000
local terms energy: -20.823971
where:
bonds (distance) C4'-P energy: -4.311
bonds (distance) P-C4' energy: -3.793
flat angles C4'-P-C4' energy: -4.481
flat angles P-C4'-P energy: -3.727
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: 2, replica: 9
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -32.387272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.387272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.387272 (E_RNA)
where:
Base-Base interactions energy: -13.903
where: short stacking energy: -13.903
Base-Backbone interact. energy: -0.002
local terms energy: -18.482002
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.761
flat angles P-C4'-P energy: -2.787
tors. eta vs tors. theta energy: -2.856
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: 5
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -30.184076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.184076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.184076 (E_RNA)
where:
Base-Base interactions energy: -13.600
where: short stacking energy: -13.600
Base-Backbone interact. energy: -0.000
local terms energy: -16.584490
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.367
flat angles C4'-P-C4' energy: -4.237
flat angles P-C4'-P energy: -0.881
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: 4, replica: 3
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -31.383707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.383707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.383707 (E_RNA)
where:
Base-Base interactions energy: -13.064
where: short stacking energy: -13.064
Base-Backbone interact. energy: -0.008
local terms energy: -18.310950
where:
bonds (distance) C4'-P energy: -3.629
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.131
flat angles P-C4'-P energy: -2.778
tors. eta vs tors. theta energy: -2.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -35.084398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.084398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.084398 (E_RNA)
where:
Base-Base interactions energy: -14.453
where: short stacking energy: -12.792
Base-Backbone interact. energy: -2.592
local terms energy: -18.039853
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -3.818
flat angles C4'-P-C4' energy: -3.518
flat angles P-C4'-P energy: -3.375
tors. eta vs tors. theta energy: -3.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -30.799391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.799391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.799391 (E_RNA)
where:
Base-Base interactions energy: -12.769
where: short stacking energy: -12.769
Base-Backbone interact. energy: -0.000
local terms energy: -18.030390
where:
bonds (distance) C4'-P energy: -3.753
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -3.217
flat angles P-C4'-P energy: -3.144
tors. eta vs tors. theta energy: -3.031
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: 7, replica: 4
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -23.324689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.324689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.324689 (E_RNA)
where:
Base-Base interactions energy: -8.499
where: short stacking energy: -8.499
Base-Backbone interact. energy: -0.004
local terms energy: -14.821325
where:
bonds (distance) C4'-P energy: -3.939
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -3.193
flat angles P-C4'-P energy: -1.977
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: 8, replica: 10
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -28.739783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.739783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.739783 (E_RNA)
where:
Base-Base interactions energy: -9.527
where: short stacking energy: -9.527
Base-Backbone interact. energy: -0.000
local terms energy: -19.213000
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -4.078
flat angles C4'-P-C4' energy: -3.425
flat angles P-C4'-P energy: -3.279
tors. eta vs tors. theta energy: -4.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -28.931495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.931495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.931495 (E_RNA)
where:
Base-Base interactions energy: -11.580
where: short stacking energy: -11.580
Base-Backbone interact. energy: -0.001
local terms energy: -17.350287
where:
bonds (distance) C4'-P energy: -2.928
bonds (distance) P-C4' energy: -5.361
flat angles C4'-P-C4' energy: -3.434
flat angles P-C4'-P energy: -2.760
tors. eta vs tors. theta energy: -2.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -25.237183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.237183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.237183 (E_RNA)
where:
Base-Base interactions energy: -11.973
where: short stacking energy: -11.973
Base-Backbone interact. energy: -0.000
local terms energy: -13.263689
where:
bonds (distance) C4'-P energy: -4.419
bonds (distance) P-C4' energy: -0.157
flat angles C4'-P-C4' energy: -3.993
flat angles P-C4'-P energy: -1.547
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: 1, replica: 9
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -32.481047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.481047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.481047 (E_RNA)
where:
Base-Base interactions energy: -12.332
where: short stacking energy: -12.332
Base-Backbone interact. energy: -0.000
local terms energy: -20.149177
where:
bonds (distance) C4'-P energy: -3.923
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.924
flat angles P-C4'-P energy: -3.415
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: 2, replica: 6
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -30.793672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.793672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.793672 (E_RNA)
where:
Base-Base interactions energy: -13.304
where: short stacking energy: -13.304
Base-Backbone interact. energy: -0.000
local terms energy: -17.489764
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -4.649
flat angles C4'-P-C4' energy: -4.571
flat angles P-C4'-P energy: -1.593
tors. eta vs tors. theta energy: -2.453
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: 3
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -32.446781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.446781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.446781 (E_RNA)
where:
Base-Base interactions energy: -14.119
where: short stacking energy: -14.119
Base-Backbone interact. energy: -0.000
local terms energy: -18.327451
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -3.508
flat angles P-C4'-P energy: -2.873
tors. eta vs tors. theta energy: -2.649
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: 4, replica: 5
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -25.377935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.377935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.377935 (E_RNA)
where:
Base-Base interactions energy: -9.774
where: short stacking energy: -9.774
Base-Backbone interact. energy: -0.000
local terms energy: -15.603588
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -3.009
flat angles P-C4'-P energy: -1.136
tors. eta vs tors. theta energy: -2.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -28.206312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.206312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.206312 (E_RNA)
where:
Base-Base interactions energy: -9.468
where: short stacking energy: -9.468
Base-Backbone interact. energy: -0.000
local terms energy: -18.738187
where:
bonds (distance) C4'-P energy: -3.566
bonds (distance) P-C4' energy: -4.839
flat angles C4'-P-C4' energy: -3.726
flat angles P-C4'-P energy: -3.920
tors. eta vs tors. theta energy: -2.687
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: 1
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -28.426142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.426142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.426142 (E_RNA)
where:
Base-Base interactions energy: -9.289
where: short stacking energy: -9.289
Base-Backbone interact. energy: -0.000
local terms energy: -19.137058
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.625
flat angles P-C4'-P energy: -2.095
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: 10
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -27.665305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.665305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.665305 (E_RNA)
where:
Base-Base interactions energy: -13.116
where: short stacking energy: -13.116
Base-Backbone interact. energy: -0.000
local terms energy: -14.549215
where:
bonds (distance) C4'-P energy: -2.461
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -3.856
flat angles P-C4'-P energy: -1.811
tors. eta vs tors. theta energy: -1.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -23.560562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.560562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.560562 (E_RNA)
where:
Base-Base interactions energy: -7.070
where: short stacking energy: -7.070
Base-Backbone interact. energy: -0.059
local terms energy: -16.431606
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.339
flat angles C4'-P-C4' energy: -4.092
flat angles P-C4'-P energy: -3.625
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: 7
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -27.741868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.741868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.741868 (E_RNA)
where:
Base-Base interactions energy: -11.741
where: short stacking energy: -11.741
Base-Backbone interact. energy: -0.000
local terms energy: -16.000818
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -4.047
flat angles C4'-P-C4' energy: -3.801
flat angles P-C4'-P energy: -2.703
tors. eta vs tors. theta energy: -1.224
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: 104
Temperature: 1.350000
Total energy: -22.343912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.343912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.343912 (E_RNA)
where:
Base-Base interactions energy: -6.912
where: short stacking energy: -6.912
Base-Backbone interact. energy: -0.000
local terms energy: -15.431728
where:
bonds (distance) C4'-P energy: -3.629
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -3.345
flat angles P-C4'-P energy: -2.158
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: 1, replica: 9
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -35.443902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.443902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.443902 (E_RNA)
where:
Base-Base interactions energy: -17.386
where: short stacking energy: -17.386
Base-Backbone interact. energy: -0.000
local terms energy: -18.057568
where:
bonds (distance) C4'-P energy: -2.962
bonds (distance) P-C4' energy: -3.646
flat angles C4'-P-C4' energy: -4.801
flat angles P-C4'-P energy: -3.107
tors. eta vs tors. theta energy: -3.541
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: 3
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -38.638043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.638043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.638043 (E_RNA)
where:
Base-Base interactions energy: -17.424
where: short stacking energy: -17.424
Base-Backbone interact. energy: -0.000
local terms energy: -21.214001
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.173
flat angles P-C4'-P energy: -3.624
tors. eta vs tors. theta energy: -4.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -25.824963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.824963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.824963 (E_RNA)
where:
Base-Base interactions energy: -10.462
where: short stacking energy: -10.462
Base-Backbone interact. energy: -0.001
local terms energy: -15.361140
where:
bonds (distance) C4'-P energy: -3.799
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -4.432
flat angles P-C4'-P energy: -0.399
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: 4, replica: 2
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -35.082537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.082537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.082537 (E_RNA)
where:
Base-Base interactions energy: -17.173
where: short stacking energy: -8.708
Base-Backbone interact. energy: 0.196
local terms energy: -18.105638
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -4.272
flat angles P-C4'-P energy: -3.115
tors. eta vs tors. theta energy: -1.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -35.134299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.134299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.134299 (E_RNA)
where:
Base-Base interactions energy: -16.186
where: short stacking energy: -16.186
Base-Backbone interact. energy: -0.000
local terms energy: -18.948026
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -4.572
flat angles C4'-P-C4' energy: -3.605
flat angles P-C4'-P energy: -3.303
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: 6, replica: 10
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -28.855843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.855843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.855843 (E_RNA)
where:
Base-Base interactions energy: -12.396
where: short stacking energy: -12.396
Base-Backbone interact. energy: -0.000
local terms energy: -16.459739
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -4.202
flat angles C4'-P-C4' energy: -2.568
flat angles P-C4'-P energy: -2.327
tors. eta vs tors. theta energy: -3.146
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: 1
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -34.274248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.274248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.274248 (E_RNA)
where:
Base-Base interactions energy: -12.801
where: short stacking energy: -12.801
Base-Backbone interact. energy: -0.000
local terms energy: -21.473288
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -4.413
flat angles C4'-P-C4' energy: -4.430
flat angles P-C4'-P energy: -3.618
tors. eta vs tors. theta energy: -5.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -29.077801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.077801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.077801 (E_RNA)
where:
Base-Base interactions energy: -12.789
where: short stacking energy: -12.427
Base-Backbone interact. energy: -0.000
local terms energy: -16.289018
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -4.578
flat angles C4'-P-C4' energy: -3.300
flat angles P-C4'-P energy: -2.421
tors. eta vs tors. theta energy: -1.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -28.877209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.877209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.877209 (E_RNA)
where:
Base-Base interactions energy: -13.782
where: short stacking energy: -13.782
Base-Backbone interact. energy: -0.000
local terms energy: -15.094757
where:
bonds (distance) C4'-P energy: -3.691
bonds (distance) P-C4' energy: -4.406
flat angles C4'-P-C4' energy: -2.286
flat angles P-C4'-P energy: -2.032
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: 10, replica: 8
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -27.724112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.724112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.724112 (E_RNA)
where:
Base-Base interactions energy: -13.156
where: short stacking energy: -3.515
Base-Backbone interact. energy: -0.002
local terms energy: -14.566297
where:
bonds (distance) C4'-P energy: -3.541
bonds (distance) P-C4' energy: -4.051
flat angles C4'-P-C4' energy: -3.600
flat angles P-C4'-P energy: -3.018
tors. eta vs tors. theta energy: -0.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -35.341844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.341844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.341844 (E_RNA)
where:
Base-Base interactions energy: -15.879
where: short stacking energy: -15.879
Base-Backbone interact. energy: -0.000
local terms energy: -19.462890
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.643
flat angles P-C4'-P energy: -0.809
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: 2, replica: 9
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -37.934084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.934084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.934084 (E_RNA)
where:
Base-Base interactions energy: -17.491
where: short stacking energy: -17.491
Base-Backbone interact. energy: -0.000
local terms energy: -20.442986
where:
bonds (distance) C4'-P energy: -2.962
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.657
flat angles P-C4'-P energy: -3.865
tors. eta vs tors. theta energy: -3.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -33.965318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.965318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.965318 (E_RNA)
where:
Base-Base interactions energy: -13.105
where: short stacking energy: -11.881
Base-Backbone interact. energy: -0.004
local terms energy: -20.855779
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.731
flat angles P-C4'-P energy: -2.880
tors. eta vs tors. theta energy: -3.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -34.711495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.711495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.711495 (E_RNA)
where:
Base-Base interactions energy: -16.483
where: short stacking energy: -16.483
Base-Backbone interact. energy: -0.000
local terms energy: -18.228247
where:
bonds (distance) C4'-P energy: -3.699
bonds (distance) P-C4' energy: -4.202
flat angles C4'-P-C4' energy: -3.904
flat angles P-C4'-P energy: -2.369
tors. eta vs tors. theta energy: -4.054
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: 10
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -30.052616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.052616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.052616 (E_RNA)
where:
Base-Base interactions energy: -11.776
where: short stacking energy: -11.776
Base-Backbone interact. energy: -0.030
local terms energy: -18.246890
where:
bonds (distance) C4'-P energy: -2.370
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -4.560
flat angles P-C4'-P energy: -3.009
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: 6, replica: 5
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -26.068140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.068140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.068140 (E_RNA)
where:
Base-Base interactions energy: -9.461
where: short stacking energy: -9.461
Base-Backbone interact. energy: -0.000
local terms energy: -16.606674
where:
bonds (distance) C4'-P energy: -2.681
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -4.331
flat angles P-C4'-P energy: -1.739
tors. eta vs tors. theta energy: -3.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -31.405171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.405171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.405171 (E_RNA)
where:
Base-Base interactions energy: -12.459
where: short stacking energy: -12.459
Base-Backbone interact. energy: -0.000
local terms energy: -18.946100
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -4.047
flat angles C4'-P-C4' energy: -4.712
flat angles P-C4'-P energy: -3.299
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: 8, replica: 1
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -31.419207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.419207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.419207 (E_RNA)
where:
Base-Base interactions energy: -13.349
where: short stacking energy: -13.349
Base-Backbone interact. energy: -0.000
local terms energy: -18.069872
where:
bonds (distance) C4'-P energy: -2.983
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -3.794
flat angles P-C4'-P energy: -2.817
tors. eta vs tors. theta energy: -3.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -22.819775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.819775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.819775 (E_RNA)
where:
Base-Base interactions energy: -7.999
where: short stacking energy: -7.999
Base-Backbone interact. energy: -0.001
local terms energy: -14.820285
where:
bonds (distance) C4'-P energy: -4.163
bonds (distance) P-C4' energy: -4.410
flat angles C4'-P-C4' energy: -4.323
flat angles P-C4'-P energy: -2.796
tors. eta vs tors. theta energy: 0.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -22.690509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.690509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.690509 (E_RNA)
where:
Base-Base interactions energy: -10.694
where: short stacking energy: -10.694
Base-Backbone interact. energy: -0.000
local terms energy: -11.996144
where:
bonds (distance) C4'-P energy: -2.805
bonds (distance) P-C4' energy: -4.349
flat angles C4'-P-C4' energy: -1.862
flat angles P-C4'-P energy: -0.477
tors. eta vs tors. theta energy: -2.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -31.538942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.538942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.538942 (E_RNA)
where:
Base-Base interactions energy: -11.471
where: short stacking energy: -11.471
Base-Backbone interact. energy: -0.000
local terms energy: -20.067759
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.341
flat angles P-C4'-P energy: -3.288
tors. eta vs tors. theta energy: -3.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -35.226379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.226379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.226379 (E_RNA)
where:
Base-Base interactions energy: -13.807
where: short stacking energy: -13.807
Base-Backbone interact. energy: -0.000
local terms energy: -21.419800
where:
bonds (distance) C4'-P energy: -3.045
bonds (distance) P-C4' energy: -5.361
flat angles C4'-P-C4' energy: -4.555
flat angles P-C4'-P energy: -3.843
tors. eta vs tors. theta energy: -4.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -34.393110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.393110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.393110 (E_RNA)
where:
Base-Base interactions energy: -16.726
where: short stacking energy: -16.726
Base-Backbone interact. energy: -0.000
local terms energy: -17.667040
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -3.329
flat angles C4'-P-C4' energy: -4.144
flat angles P-C4'-P energy: -2.796
tors. eta vs tors. theta energy: -2.879
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: 107
Temperature: 1.050000
Total energy: -33.405375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.405375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.405375 (E_RNA)
where:
Base-Base interactions energy: -14.156
where: short stacking energy: -14.156
Base-Backbone interact. energy: -0.000
local terms energy: -19.249646
where:
bonds (distance) C4'-P energy: -4.009
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.980
flat angles P-C4'-P energy: -2.064
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: 5, replica: 10
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -24.279072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.279072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.279072 (E_RNA)
where:
Base-Base interactions energy: -6.616
where: short stacking energy: -6.616
Base-Backbone interact. energy: -0.061
local terms energy: -17.602885
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -4.030
flat angles P-C4'-P energy: -3.568
tors. eta vs tors. theta energy: -0.861
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: 6, replica: 7
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -30.380661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.380661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.380661 (E_RNA)
where:
Base-Base interactions energy: -14.389
where: short stacking energy: -14.389
Base-Backbone interact. energy: -0.000
local terms energy: -15.992048
where:
bonds (distance) C4'-P energy: -3.256
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -4.167
flat angles P-C4'-P energy: -0.758
tors. eta vs tors. theta energy: -2.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -26.066944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.066944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.066944 (E_RNA)
where:
Base-Base interactions energy: -10.137
where: short stacking energy: -10.137
Base-Backbone interact. energy: -0.000
local terms energy: -15.929325
where:
bonds (distance) C4'-P energy: -3.363
bonds (distance) P-C4' energy: -2.868
flat angles C4'-P-C4' energy: -3.355
flat angles P-C4'-P energy: -2.821
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: 8, replica: 8
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -26.365793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.365793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.365793 (E_RNA)
where:
Base-Base interactions energy: -9.337
where: short stacking energy: -9.337
Base-Backbone interact. energy: -0.010
local terms energy: -17.018339
where:
bonds (distance) C4'-P energy: -3.161
bonds (distance) P-C4' energy: -4.044
flat angles C4'-P-C4' energy: -3.951
flat angles P-C4'-P energy: -2.935
tors. eta vs tors. theta energy: -2.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -24.247869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.247869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.247869 (E_RNA)
where:
Base-Base interactions energy: -9.345
where: short stacking energy: -9.345
Base-Backbone interact. energy: -0.002
local terms energy: -14.901535
where:
bonds (distance) C4'-P energy: -3.629
bonds (distance) P-C4' energy: -3.811
flat angles C4'-P-C4' energy: -2.752
flat angles P-C4'-P energy: -3.780
tors. eta vs tors. theta energy: -0.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -24.632046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.632046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.632046 (E_RNA)
where:
Base-Base interactions energy: -7.092
where: short stacking energy: -7.092
Base-Backbone interact. energy: -0.000
local terms energy: -17.540259
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.188
flat angles P-C4'-P energy: -2.938
tors. eta vs tors. theta energy: -1.159
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: 9
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -38.592371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.592371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.592371 (E_RNA)
where:
Base-Base interactions energy: -16.586
where: short stacking energy: -16.586
Base-Backbone interact. energy: -0.000
local terms energy: -22.006029
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -4.578
flat angles C4'-P-C4' energy: -4.731
flat angles P-C4'-P energy: -3.552
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: 2, replica: 3
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -33.035422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.035422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.035422 (E_RNA)
where:
Base-Base interactions energy: -14.596
where: short stacking energy: -12.364
Base-Backbone interact. energy: -0.039
local terms energy: -18.400502
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -4.342
flat angles C4'-P-C4' energy: -3.464
flat angles P-C4'-P energy: -3.459
tors. eta vs tors. theta energy: -3.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -34.415032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.415032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.415032 (E_RNA)
where:
Base-Base interactions energy: -16.072
where: short stacking energy: -16.072
Base-Backbone interact. energy: -0.000
local terms energy: -18.343386
where:
bonds (distance) C4'-P energy: -4.634
bonds (distance) P-C4' energy: -4.370
flat angles C4'-P-C4' energy: -1.791
flat angles P-C4'-P energy: -2.956
tors. eta vs tors. theta energy: -4.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -31.241768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.241768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.241768 (E_RNA)
where:
Base-Base interactions energy: -13.075
where: short stacking energy: -13.075
Base-Backbone interact. energy: -0.000
local terms energy: -18.166991
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.624
flat angles C4'-P-C4' energy: -4.080
flat angles P-C4'-P energy: -3.540
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: 5, replica: 7
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -32.366184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.366184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.366184 (E_RNA)
where:
Base-Base interactions energy: -14.819
where: short stacking energy: -14.819
Base-Backbone interact. energy: -0.000
local terms energy: -17.547458
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -4.416
flat angles C4'-P-C4' energy: -3.516
flat angles P-C4'-P energy: -1.774
tors. eta vs tors. theta energy: -4.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -32.491563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.491563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.491563 (E_RNA)
where:
Base-Base interactions energy: -12.608
where: short stacking energy: -12.608
Base-Backbone interact. energy: -0.006
local terms energy: -19.877583
where:
bonds (distance) C4'-P energy: -2.913
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -4.698
flat angles P-C4'-P energy: -3.605
tors. eta vs tors. theta energy: -3.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -23.963042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.963042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.963042 (E_RNA)
where:
Base-Base interactions energy: -6.983
where: short stacking energy: -6.983
Base-Backbone interact. energy: 0.997
local terms energy: -17.977134
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.342
flat angles C4'-P-C4' energy: -4.676
flat angles P-C4'-P energy: -2.166
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: 8, replica: 5
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -26.854650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.854650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.854650 (E_RNA)
where:
Base-Base interactions energy: -8.947
where: short stacking energy: -8.947
Base-Backbone interact. energy: -0.000
local terms energy: -17.907699
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.214
flat angles P-C4'-P energy: -1.508
tors. eta vs tors. theta energy: -3.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -26.397686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.397686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.397686 (E_RNA)
where:
Base-Base interactions energy: -7.879
where: short stacking energy: -7.879
Base-Backbone interact. energy: -0.024
local terms energy: -18.494153
where:
bonds (distance) C4'-P energy: -3.344
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.375
flat angles P-C4'-P energy: -3.892
tors. eta vs tors. theta energy: -1.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -32.665003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.665003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.665003 (E_RNA)
where:
Base-Base interactions energy: -14.424
where: short stacking energy: -14.424
Base-Backbone interact. energy: -0.000
local terms energy: -18.240634
where:
bonds (distance) C4'-P energy: -2.812
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -3.622
flat angles P-C4'-P energy: -1.945
tors. eta vs tors. theta energy: -4.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -39.632267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.632267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.632267 (E_RNA)
where:
Base-Base interactions energy: -17.914
where: short stacking energy: -17.914
Base-Backbone interact. energy: -0.000
local terms energy: -21.718174
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.210
flat angles P-C4'-P energy: -3.131
tors. eta vs tors. theta energy: -4.990
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: 6
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -37.328386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.328386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.328386 (E_RNA)
where:
Base-Base interactions energy: -19.427
where: short stacking energy: -13.175
Base-Backbone interact. energy: -0.002
local terms energy: -17.899333
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -4.855
flat angles P-C4'-P energy: -2.759
tors. eta vs tors. theta energy: -0.802
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: 3, replica: 3
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -30.370581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.370581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.370581 (E_RNA)
where:
Base-Base interactions energy: -13.168
where: short stacking energy: -13.168
Base-Backbone interact. energy: -0.000
local terms energy: -17.202211
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -2.873
flat angles C4'-P-C4' energy: -3.679
flat angles P-C4'-P energy: -3.568
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: 4, replica: 7
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -25.212871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.212871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.212871 (E_RNA)
where:
Base-Base interactions energy: -6.304
where: short stacking energy: -6.304
Base-Backbone interact. energy: -0.054
local terms energy: -18.855260
where:
bonds (distance) C4'-P energy: -4.419
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -3.370
flat angles P-C4'-P energy: -3.928
tors. eta vs tors. theta energy: -1.781
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: 109
Temperature: 1.100000
Total energy: -29.775764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.775764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.775764 (E_RNA)
where:
Base-Base interactions energy: -12.383
where: short stacking energy: -12.383
Base-Backbone interact. energy: -0.000
local terms energy: -17.392311
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -3.423
flat angles C4'-P-C4' energy: -4.279
flat angles P-C4'-P energy: -3.215
tors. eta vs tors. theta energy: -2.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -26.072514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.072514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.072514 (E_RNA)
where:
Base-Base interactions energy: -9.292
where: short stacking energy: -9.292
Base-Backbone interact. energy: -0.000
local terms energy: -16.779958
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.305
flat angles P-C4'-P energy: -3.460
tors. eta vs tors. theta energy: -0.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -25.799590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.799590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.799590 (E_RNA)
where:
Base-Base interactions energy: -8.397
where: short stacking energy: -8.397
Base-Backbone interact. energy: -0.000
local terms energy: -17.402530
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.177
flat angles C4'-P-C4' energy: -4.591
flat angles P-C4'-P energy: -4.053
tors. eta vs tors. theta energy: -0.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -26.160554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.160554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.160554 (E_RNA)
where:
Base-Base interactions energy: -9.134
where: short stacking energy: -9.134
Base-Backbone interact. energy: -0.000
local terms energy: -17.026489
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -4.104
flat angles P-C4'-P energy: -0.268
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: 5
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -23.739771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.739771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.739771 (E_RNA)
where:
Base-Base interactions energy: -4.728
where: short stacking energy: -4.728
Base-Backbone interact. energy: -0.000
local terms energy: -19.011779
where:
bonds (distance) C4'-P energy: -3.815
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -4.475
flat angles P-C4'-P energy: -3.700
tors. eta vs tors. theta energy: -2.165
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: 4
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -25.698320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.698320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.698320 (E_RNA)
where:
Base-Base interactions energy: -13.168
where: short stacking energy: -13.168
Base-Backbone interact. energy: -0.000
local terms energy: -12.530450
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -2.649
flat angles C4'-P-C4' energy: -2.406
flat angles P-C4'-P energy: -1.024
tors. eta vs tors. theta energy: -2.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -37.952821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.952821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.952821 (E_RNA)
where:
Base-Base interactions energy: -17.846
where: short stacking energy: -17.846
Base-Backbone interact. energy: -0.000
local terms energy: -20.106858
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.853
flat angles P-C4'-P energy: -3.326
tors. eta vs tors. theta energy: -3.460
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: 9
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -33.170278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.170278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.170278 (E_RNA)
where:
Base-Base interactions energy: -13.172
where: short stacking energy: -13.172
Base-Backbone interact. energy: -0.000
local terms energy: -19.998462
where:
bonds (distance) C4'-P energy: -2.254
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.048
flat angles P-C4'-P energy: -3.566
tors. eta vs tors. theta energy: -5.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -29.527984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.527984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.527984 (E_RNA)
where:
Base-Base interactions energy: -10.595
where: short stacking energy: -10.595
Base-Backbone interact. energy: -0.006
local terms energy: -18.927506
where:
bonds (distance) C4'-P energy: -4.303
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.066
flat angles P-C4'-P energy: -2.658
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: 4, replica: 3
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -30.883869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.883869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.883869 (E_RNA)
where:
Base-Base interactions energy: -11.715
where: short stacking energy: -11.715
Base-Backbone interact. energy: -0.000
local terms energy: -19.168437
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -3.922
flat angles P-C4'-P energy: -2.987
tors. eta vs tors. theta energy: -4.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -27.404780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.404780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.404780 (E_RNA)
where:
Base-Base interactions energy: -7.446
where: short stacking energy: -7.446
Base-Backbone interact. energy: -0.001
local terms energy: -19.958026
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -4.240
flat angles P-C4'-P energy: -3.552
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: 6, replica: 2
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -28.664043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.664043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.664043 (E_RNA)
where:
Base-Base interactions energy: -13.003
where: short stacking energy: -13.003
Base-Backbone interact. energy: -0.000
local terms energy: -15.660849
where:
bonds (distance) C4'-P energy: -3.753
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -2.448
flat angles P-C4'-P energy: -1.287
tors. eta vs tors. theta energy: -3.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -28.460412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.460412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.460412 (E_RNA)
where:
Base-Base interactions energy: -11.585
where: short stacking energy: -10.479
Base-Backbone interact. energy: -0.000
local terms energy: -16.875486
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -3.746
flat angles P-C4'-P energy: -0.576
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: 8, replica: 10
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -25.672420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.672420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.672420 (E_RNA)
where:
Base-Base interactions energy: -6.934
where: short stacking energy: -6.934
Base-Backbone interact. energy: -0.000
local terms energy: -18.738000
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -4.272
flat angles P-C4'-P energy: -2.763
tors. eta vs tors. theta energy: -2.406
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: 4
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -23.480390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.480390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.480390 (E_RNA)
where:
Base-Base interactions energy: -7.877
where: short stacking energy: -7.877
Base-Backbone interact. energy: -0.000
local terms energy: -15.603217
where:
bonds (distance) C4'-P energy: -1.852
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -3.592
flat angles P-C4'-P energy: -2.753
tors. eta vs tors. theta energy: -2.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -21.746641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.746641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.746641 (E_RNA)
where:
Base-Base interactions energy: -9.112
where: short stacking energy: -3.332
Base-Backbone interact. energy: -0.029
local terms energy: -12.605853
where:
bonds (distance) C4'-P energy: -2.975
bonds (distance) P-C4' energy: -3.205
flat angles C4'-P-C4' energy: -4.805
flat angles P-C4'-P energy: -2.039
tors. eta vs tors. theta energy: 0.419
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: 6
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -39.370189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.370189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.370189 (E_RNA)
where:
Base-Base interactions energy: -18.070
where: short stacking energy: -18.070
Base-Backbone interact. energy: -0.000
local terms energy: -21.300446
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.299
flat angles P-C4'-P energy: -2.137
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: 2, replica: 7
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -36.474408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.474408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.474408 (E_RNA)
where:
Base-Base interactions energy: -18.154
where: short stacking energy: -18.154
Base-Backbone interact. energy: -0.000
local terms energy: -18.320231
where:
bonds (distance) C4'-P energy: -3.815
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.097
flat angles P-C4'-P energy: -0.504
tors. eta vs tors. theta energy: -4.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -37.934002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.934002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.934002 (E_RNA)
where:
Base-Base interactions energy: -17.361
where: short stacking energy: -17.361
Base-Backbone interact. energy: -0.000
local terms energy: -20.573262
where:
bonds (distance) C4'-P energy: -3.389
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -4.451
flat angles P-C4'-P energy: -3.777
tors. eta vs tors. theta energy: -3.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -29.943852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.943852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.943852 (E_RNA)
where:
Base-Base interactions energy: -12.620
where: short stacking energy: -12.620
Base-Backbone interact. energy: -0.000
local terms energy: -17.324185
where:
bonds (distance) C4'-P energy: -4.233
bonds (distance) P-C4' energy: -4.406
flat angles C4'-P-C4' energy: -3.462
flat angles P-C4'-P energy: -2.763
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: 5, replica: 3
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -28.136075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.136075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.136075 (E_RNA)
where:
Base-Base interactions energy: -13.549
where: short stacking energy: -13.549
Base-Backbone interact. energy: -0.000
local terms energy: -14.587498
where:
bonds (distance) C4'-P energy: -3.185
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -0.977
flat angles P-C4'-P energy: -2.759
tors. eta vs tors. theta energy: -2.544
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: 111
Temperature: 1.150000
Total energy: -25.212769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.212769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.212769 (E_RNA)
where:
Base-Base interactions energy: -6.957
where: short stacking energy: -6.957
Base-Backbone interact. energy: -0.000
local terms energy: -18.255318
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -4.202
flat angles C4'-P-C4' energy: -3.758
flat angles P-C4'-P energy: -3.294
tors. eta vs tors. theta energy: -3.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -33.440557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.440557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.440557 (E_RNA)
where:
Base-Base interactions energy: -15.526
where: short stacking energy: -15.526
Base-Backbone interact. energy: -0.000
local terms energy: -17.914267
where:
bonds (distance) C4'-P energy: -4.009
bonds (distance) P-C4' energy: -3.687
flat angles C4'-P-C4' energy: -4.222
flat angles P-C4'-P energy: -2.543
tors. eta vs tors. theta energy: -3.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -26.904130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.904130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.904130 (E_RNA)
where:
Base-Base interactions energy: -12.892
where: short stacking energy: -12.892
Base-Backbone interact. energy: -0.000
local terms energy: -14.011727
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -3.268
flat angles C4'-P-C4' energy: -3.963
flat angles P-C4'-P energy: -1.571
tors. eta vs tors. theta energy: -1.217
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: 9, replica: 10
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -23.161492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.161492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.161492 (E_RNA)
where:
Base-Base interactions energy: -5.086
where: short stacking energy: -5.086
Base-Backbone interact. energy: -0.000
local terms energy: -18.075025
where:
bonds (distance) C4'-P energy: -2.751
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -4.010
flat angles P-C4'-P energy: -2.587
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: 5
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -22.633188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.633188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.633188 (E_RNA)
where:
Base-Base interactions energy: -6.545
where: short stacking energy: -6.545
Base-Backbone interact. energy: -0.006
local terms energy: -16.082803
where:
bonds (distance) C4'-P energy: -4.634
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -2.881
flat angles P-C4'-P energy: -2.135
tors. eta vs tors. theta energy: -1.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -32.578882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.578882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.578882 (E_RNA)
where:
Base-Base interactions energy: -12.844
where: short stacking energy: -12.844
Base-Backbone interact. energy: -0.002
local terms energy: -19.732599
where:
bonds (distance) C4'-P energy: -3.567
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.702
flat angles P-C4'-P energy: -4.143
tors. eta vs tors. theta energy: -2.886
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: 6
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -39.248909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.248909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.248909 (E_RNA)
where:
Base-Base interactions energy: -16.839
where: short stacking energy: -16.839
Base-Backbone interact. energy: -0.000
local terms energy: -22.410399
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -4.378
flat angles P-C4'-P energy: -3.087
tors. eta vs tors. theta energy: -5.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -37.232022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.232022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.232022 (E_RNA)
where:
Base-Base interactions energy: -17.173
where: short stacking energy: -17.173
Base-Backbone interact. energy: -0.000
local terms energy: -20.059136
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.653
flat angles C4'-P-C4' energy: -4.222
flat angles P-C4'-P energy: -2.973
tors. eta vs tors. theta energy: -3.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -30.155772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.155772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.155772 (E_RNA)
where:
Base-Base interactions energy: -12.456
where: short stacking energy: -12.456
Base-Backbone interact. energy: -0.000
local terms energy: -17.699930
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -3.646
flat angles C4'-P-C4' energy: -3.684
flat angles P-C4'-P energy: -3.136
tors. eta vs tors. theta energy: -2.607
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: 5, replica: 1
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -37.945467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.945467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.945467 (E_RNA)
where:
Base-Base interactions energy: -16.938
where: short stacking energy: -16.938
Base-Backbone interact. energy: -0.000
local terms energy: -21.007046
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.921
flat angles P-C4'-P energy: -4.025
tors. eta vs tors. theta energy: -3.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -27.809811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.809811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.809811 (E_RNA)
where:
Base-Base interactions energy: -8.290
where: short stacking energy: -8.290
Base-Backbone interact. energy: -0.000
local terms energy: -19.519644
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -4.832
flat angles C4'-P-C4' energy: -4.114
flat angles P-C4'-P energy: -3.222
tors. eta vs tors. theta energy: -3.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -26.147107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.147107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.147107 (E_RNA)
where:
Base-Base interactions energy: -11.714
where: short stacking energy: -11.714
Base-Backbone interact. energy: -0.000
local terms energy: -14.433126
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -2.619
flat angles C4'-P-C4' energy: -2.990
flat angles P-C4'-P energy: -3.177
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: 2
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -24.491162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.491162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.491162 (E_RNA)
where:
Base-Base interactions energy: -9.513
where: short stacking energy: -9.513
Base-Backbone interact. energy: -0.000
local terms energy: -14.978194
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.678
flat angles C4'-P-C4' energy: -1.006
flat angles P-C4'-P energy: -1.750
tors. eta vs tors. theta energy: -3.135
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: 5
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -24.586612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.586612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.586612 (E_RNA)
where:
Base-Base interactions energy: -6.425
where: short stacking energy: -6.425
Base-Backbone interact. energy: -0.002
local terms energy: -18.159927
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.322
flat angles P-C4'-P energy: -2.761
tors. eta vs tors. theta energy: -2.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -25.498721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.498721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.498721 (E_RNA)
where:
Base-Base interactions energy: -12.294
where: short stacking energy: -12.294
Base-Backbone interact. energy: -0.030
local terms energy: -13.174608
where:
bonds (distance) C4'-P energy: -2.340
bonds (distance) P-C4' energy: -4.370
flat angles C4'-P-C4' energy: -0.190
flat angles P-C4'-P energy: -3.180
tors. eta vs tors. theta energy: -3.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -37.628774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.628774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.628774 (E_RNA)
where:
Base-Base interactions energy: -17.694
where: short stacking energy: -17.694
Base-Backbone interact. energy: -0.000
local terms energy: -19.934684
where:
bonds (distance) C4'-P energy: -3.363
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -4.539
flat angles P-C4'-P energy: -3.258
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: 2, replica: 8
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -33.228015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.228015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.228015 (E_RNA)
where:
Base-Base interactions energy: -15.074
where: short stacking energy: -8.985
Base-Backbone interact. energy: -0.004
local terms energy: -18.150004
where:
bonds (distance) C4'-P energy: -2.730
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -4.363
flat angles P-C4'-P energy: -3.880
tors. eta vs tors. theta energy: -2.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -31.203825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.203825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.203825 (E_RNA)
where:
Base-Base interactions energy: -16.253
where: short stacking energy: -16.253
Base-Backbone interact. energy: -0.000
local terms energy: -14.950674
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.481
flat angles P-C4'-P energy: 1.990
tors. eta vs tors. theta energy: -3.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -37.491960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.491960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.491960 (E_RNA)
where:
Base-Base interactions energy: -16.233
where: short stacking energy: -16.233
Base-Backbone interact. energy: -0.000
local terms energy: -21.258575
where:
bonds (distance) C4'-P energy: -4.303
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -4.383
flat angles P-C4'-P energy: -3.070
tors. eta vs tors. theta energy: -5.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -28.435284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.435284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.435284 (E_RNA)
where:
Base-Base interactions energy: -11.339
where: short stacking energy: -11.339
Base-Backbone interact. energy: -0.000
local terms energy: -17.096102
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.485
flat angles P-C4'-P energy: -1.486
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: 6, replica: 4
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -27.649881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.649881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.649881 (E_RNA)
where:
Base-Base interactions energy: -11.522
where: short stacking energy: -11.522
Base-Backbone interact. energy: -0.067
local terms energy: -16.061122
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.193
flat angles P-C4'-P energy: -2.446
tors. eta vs tors. theta energy: -1.671
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: 7, replica: 3
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -29.540276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.540276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.540276 (E_RNA)
where:
Base-Base interactions energy: -13.879
where: short stacking energy: -13.879
Base-Backbone interact. energy: -0.000
local terms energy: -15.661041
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -0.556
flat angles P-C4'-P energy: -3.255
tors. eta vs tors. theta energy: -3.186
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: 5
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -30.613180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.613180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.613180 (E_RNA)
where:
Base-Base interactions energy: -13.143
where: short stacking energy: -13.143
Base-Backbone interact. energy: -0.000
local terms energy: -17.469771
where:
bonds (distance) C4'-P energy: -3.045
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.693
flat angles P-C4'-P energy: -2.540
tors. eta vs tors. theta energy: -2.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -27.188193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.188193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.188193 (E_RNA)
where:
Base-Base interactions energy: -9.670
where: short stacking energy: -9.670
Base-Backbone interact. energy: -0.000
local terms energy: -17.517707
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -0.552
flat angles P-C4'-P energy: -2.771
tors. eta vs tors. theta energy: -5.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -22.501202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.501202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.501202 (E_RNA)
where:
Base-Base interactions energy: -8.678
where: short stacking energy: -8.678
Base-Backbone interact. energy: -0.043
local terms energy: -13.780184
where:
bonds (distance) C4'-P energy: -3.036
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -1.908
flat angles P-C4'-P energy: -3.511
tors. eta vs tors. theta energy: -0.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -38.938984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.938984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.938984 (E_RNA)
where:
Base-Base interactions energy: -17.871
where: short stacking energy: -17.871
Base-Backbone interact. energy: -0.000
local terms energy: -21.067587
where:
bonds (distance) C4'-P energy: -3.745
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -4.624
flat angles P-C4'-P energy: -3.666
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: 2, replica: 7
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -35.432382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.432382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.432382 (E_RNA)
where:
Base-Base interactions energy: -17.225
where: short stacking energy: -17.225
Base-Backbone interact. energy: -0.000
local terms energy: -18.207231
where:
bonds (distance) C4'-P energy: -2.954
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -2.898
flat angles P-C4'-P energy: -2.918
tors. eta vs tors. theta energy: -4.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -37.921208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.921208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.921208 (E_RNA)
where:
Base-Base interactions energy: -17.704
where: short stacking energy: -17.704
Base-Backbone interact. energy: -0.000
local terms energy: -20.217020
where:
bonds (distance) C4'-P energy: -4.634
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.584
flat angles P-C4'-P energy: -1.405
tors. eta vs tors. theta energy: -5.472
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: 114
Temperature: 1.050000
Total energy: -34.279915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.279915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.279915 (E_RNA)
where:
Base-Base interactions energy: -13.131
where: short stacking energy: -13.131
Base-Backbone interact. energy: -0.000
local terms energy: -21.148598
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.051
flat angles C4'-P-C4' energy: -3.583
flat angles P-C4'-P energy: -3.785
tors. eta vs tors. theta energy: -5.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -35.001331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.001331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.001331 (E_RNA)
where:
Base-Base interactions energy: -15.253
where: short stacking energy: -15.253
Base-Backbone interact. energy: -0.000
local terms energy: -19.748668
where:
bonds (distance) C4'-P energy: -2.867
bonds (distance) P-C4' energy: -4.624
flat angles C4'-P-C4' energy: -3.326
flat angles P-C4'-P energy: -3.751
tors. eta vs tors. theta energy: -5.181
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: 9
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -26.387828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.387828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.387828 (E_RNA)
where:
Base-Base interactions energy: -12.504
where: short stacking energy: -12.504
Base-Backbone interact. energy: -0.000
local terms energy: -13.883422
where:
bonds (distance) C4'-P energy: 0.118
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -3.768
flat angles P-C4'-P energy: -3.260
tors. eta vs tors. theta energy: -2.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -26.713792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.713792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.713792 (E_RNA)
where:
Base-Base interactions energy: -8.983
where: short stacking energy: -7.553
Base-Backbone interact. energy: -0.000
local terms energy: -17.731009
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -3.483
flat angles P-C4'-P energy: -1.427
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: 8, replica: 3
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -28.277939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.277939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.277939 (E_RNA)
where:
Base-Base interactions energy: -12.363
where: short stacking energy: -12.363
Base-Backbone interact. energy: -0.000
local terms energy: -15.914499
where:
bonds (distance) C4'-P energy: -3.185
bonds (distance) P-C4' energy: -4.044
flat angles C4'-P-C4' energy: -3.766
flat angles P-C4'-P energy: -3.976
tors. eta vs tors. theta energy: -0.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -25.458349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.458349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.458349 (E_RNA)
where:
Base-Base interactions energy: -7.845
where: short stacking energy: -7.845
Base-Backbone interact. energy: -0.074
local terms energy: -17.539385
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -4.159
flat angles C4'-P-C4' energy: -3.292
flat angles P-C4'-P energy: -3.070
tors. eta vs tors. theta energy: -3.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -26.088273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.088273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.088273 (E_RNA)
where:
Base-Base interactions energy: -8.832
where: short stacking energy: -8.057
Base-Backbone interact. energy: -0.000
local terms energy: -17.255976
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -4.220
flat angles P-C4'-P energy: -2.755
tors. eta vs tors. theta energy: -1.767
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: 8
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -32.355029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.355029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.355029 (E_RNA)
where:
Base-Base interactions energy: -14.714
where: short stacking energy: -14.714
Base-Backbone interact. energy: -0.000
local terms energy: -17.640758
where:
bonds (distance) C4'-P energy: -3.389
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -3.693
flat angles P-C4'-P energy: -2.448
tors. eta vs tors. theta energy: -3.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -38.300548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.300548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.300548 (E_RNA)
where:
Base-Base interactions energy: -16.611
where: short stacking energy: -16.611
Base-Backbone interact. energy: -0.000
local terms energy: -21.689266
where:
bonds (distance) C4'-P energy: -4.332
bonds (distance) P-C4' energy: -4.832
flat angles C4'-P-C4' energy: -4.290
flat angles P-C4'-P energy: -3.129
tors. eta vs tors. theta energy: -5.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -34.474090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.474090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.474090 (E_RNA)
where:
Base-Base interactions energy: -14.765
where: short stacking energy: -13.394
Base-Backbone interact. energy: -0.000
local terms energy: -19.709118
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.943
flat angles P-C4'-P energy: -3.037
tors. eta vs tors. theta energy: -2.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -31.051291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.051291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.051291 (E_RNA)
where:
Base-Base interactions energy: -11.162
where: short stacking energy: -11.162
Base-Backbone interact. energy: -0.000
local terms energy: -19.889523
where:
bonds (distance) C4'-P energy: -4.163
bonds (distance) P-C4' energy: -4.892
flat angles C4'-P-C4' energy: -4.305
flat angles P-C4'-P energy: -3.343
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: 5, replica: 6
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -32.303315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.303315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.303315 (E_RNA)
where:
Base-Base interactions energy: -12.512
where: short stacking energy: -12.512
Base-Backbone interact. energy: -0.000
local terms energy: -19.791324
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.290
flat angles P-C4'-P energy: -2.385
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: 6, replica: 5
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -36.309271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.309271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.309271 (E_RNA)
where:
Base-Base interactions energy: -14.921
where: short stacking energy: -14.921
Base-Backbone interact. energy: -0.000
local terms energy: -21.388268
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -3.723
flat angles C4'-P-C4' energy: -4.294
flat angles P-C4'-P energy: -3.947
tors. eta vs tors. theta energy: -5.440
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: 115
Temperature: 1.200000
Total energy: -30.691196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.691196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.691196 (E_RNA)
where:
Base-Base interactions energy: -12.769
where: short stacking energy: -12.769
Base-Backbone interact. energy: -0.000
local terms energy: -17.921905
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -3.244
flat angles P-C4'-P energy: -2.522
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: 8, replica: 10
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -24.073626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.073626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.073626 (E_RNA)
where:
Base-Base interactions energy: -10.707
where: short stacking energy: -10.707
Base-Backbone interact. energy: -0.000
local terms energy: -13.366497
where:
bonds (distance) C4'-P energy: -2.647
bonds (distance) P-C4' energy: -4.649
flat angles C4'-P-C4' energy: -2.509
flat angles P-C4'-P energy: -2.712
tors. eta vs tors. theta energy: -0.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -26.063810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.063810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.063810 (E_RNA)
where:
Base-Base interactions energy: -9.357
where: short stacking energy: -9.357
Base-Backbone interact. energy: -0.034
local terms energy: -16.672767
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.403
flat angles P-C4'-P energy: -0.849
tors. eta vs tors. theta energy: -2.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -20.717402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.717402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.717402 (E_RNA)
where:
Base-Base interactions energy: -7.480
where: short stacking energy: -7.480
Base-Backbone interact. energy: -0.004
local terms energy: -13.233083
where:
bonds (distance) C4'-P energy: -3.939
bonds (distance) P-C4' energy: -3.128
flat angles C4'-P-C4' energy: -4.254
flat angles P-C4'-P energy: -1.519
tors. eta vs tors. theta energy: -0.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -36.773065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.773065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.773065 (E_RNA)
where:
Base-Base interactions energy: -16.190
where: short stacking energy: -16.190
Base-Backbone interact. energy: -0.000
local terms energy: -20.583320
where:
bonds (distance) C4'-P energy: -4.535
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.636
flat angles P-C4'-P energy: -2.159
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: 2, replica: 8
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -39.279065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.279065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.279065 (E_RNA)
where:
Base-Base interactions energy: -17.846
where: short stacking energy: -17.846
Base-Backbone interact. energy: -0.000
local terms energy: -21.432994
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -5.361
flat angles C4'-P-C4' energy: -3.887
flat angles P-C4'-P energy: -3.107
tors. eta vs tors. theta energy: -5.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -31.206638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.206638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.206638 (E_RNA)
where:
Base-Base interactions energy: -13.761
where: short stacking energy: -13.761
Base-Backbone interact. energy: -0.001
local terms energy: -17.444904
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.519
flat angles P-C4'-P energy: -3.156
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: 4, replica: 7
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -38.853099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.853099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.853099 (E_RNA)
where:
Base-Base interactions energy: -17.936
where: short stacking energy: -17.936
Base-Backbone interact. energy: -0.000
local terms energy: -20.916942
where:
bonds (distance) C4'-P energy: -3.363
bonds (distance) P-C4' energy: -4.149
flat angles C4'-P-C4' energy: -4.835
flat angles P-C4'-P energy: -3.363
tors. eta vs tors. theta energy: -5.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -31.290537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.290537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.290537 (E_RNA)
where:
Base-Base interactions energy: -12.008
where: short stacking energy: -12.008
Base-Backbone interact. energy: -0.000
local terms energy: -19.282166
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -3.315
flat angles C4'-P-C4' energy: -3.553
flat angles P-C4'-P energy: -3.636
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: 6, replica: 6
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -31.037552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.037552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.037552 (E_RNA)
where:
Base-Base interactions energy: -14.418
where: short stacking energy: -14.418
Base-Backbone interact. energy: -0.000
local terms energy: -16.619474
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -3.652
flat angles C4'-P-C4' energy: -1.597
flat angles P-C4'-P energy: -3.292
tors. eta vs tors. theta energy: -3.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -30.822607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.822607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.822607 (E_RNA)
where:
Base-Base interactions energy: -10.841
where: short stacking energy: -10.841
Base-Backbone interact. energy: -0.000
local terms energy: -19.981309
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.662
flat angles P-C4'-P energy: -3.067
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: 8, replica: 9
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -28.714156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.714156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.714156 (E_RNA)
where:
Base-Base interactions energy: -9.284
where: short stacking energy: -9.284
Base-Backbone interact. energy: -0.000
local terms energy: -19.430150
where:
bonds (distance) C4'-P energy: -3.380
bonds (distance) P-C4' energy: -3.582
flat angles C4'-P-C4' energy: -3.773
flat angles P-C4'-P energy: -3.851
tors. eta vs tors. theta energy: -4.845
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: 3
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -24.311608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.311608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.311608 (E_RNA)
where:
Base-Base interactions energy: -8.684
where: short stacking energy: -8.684
Base-Backbone interact. energy: -0.000
local terms energy: -15.627255
where:
bonds (distance) C4'-P energy: -3.691
bonds (distance) P-C4' energy: -3.551
flat angles C4'-P-C4' energy: -3.191
flat angles P-C4'-P energy: -3.482
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: 2
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -28.543808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.543808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.543808 (E_RNA)
where:
Base-Base interactions energy: -12.817
where: short stacking energy: -12.817
Base-Backbone interact. energy: -0.000
local terms energy: -15.726841
where:
bonds (distance) C4'-P energy: -3.479
bonds (distance) P-C4' energy: -3.984
flat angles C4'-P-C4' energy: -3.673
flat angles P-C4'-P energy: -3.493
tors. eta vs tors. theta energy: -1.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -38.743408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.743408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.743408 (E_RNA)
where:
Base-Base interactions energy: -16.875
where: short stacking energy: -16.875
Base-Backbone interact. energy: -0.000
local terms energy: -21.868090
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.613
flat angles P-C4'-P energy: -2.554
tors. eta vs tors. theta energy: -5.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -37.305820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.305820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.305820 (E_RNA)
where:
Base-Base interactions energy: -16.320
where: short stacking energy: -16.320
Base-Backbone interact. energy: -0.000
local terms energy: -20.986178
where:
bonds (distance) C4'-P energy: -3.673
bonds (distance) P-C4' energy: -4.600
flat angles C4'-P-C4' energy: -4.578
flat angles P-C4'-P energy: -3.080
tors. eta vs tors. theta energy: -5.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -31.401864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.401864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.401864 (E_RNA)
where:
Base-Base interactions energy: -13.397
where: short stacking energy: -13.397
Base-Backbone interact. energy: -0.000
local terms energy: -18.004513
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -3.748
flat angles C4'-P-C4' energy: -3.677
flat angles P-C4'-P energy: -2.606
tors. eta vs tors. theta energy: -3.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -34.046464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.046464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.046464 (E_RNA)
where:
Base-Base interactions energy: -15.195
where: short stacking energy: -15.195
Base-Backbone interact. energy: -0.000
local terms energy: -18.851321
where:
bonds (distance) C4'-P energy: -1.906
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.624
flat angles P-C4'-P energy: -1.882
tors. eta vs tors. theta energy: -5.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -32.145537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.145537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.145537 (E_RNA)
where:
Base-Base interactions energy: -14.500
where: short stacking energy: -14.500
Base-Backbone interact. energy: -0.000
local terms energy: -17.645277
where:
bonds (distance) C4'-P energy: -2.962
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -4.520
flat angles P-C4'-P energy: -3.121
tors. eta vs tors. theta energy: -2.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -35.764857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.764857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.764857 (E_RNA)
where:
Base-Base interactions energy: -16.165
where: short stacking energy: -16.165
Base-Backbone interact. energy: -0.000
local terms energy: -19.599687
where:
bonds (distance) C4'-P energy: -2.565
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -4.188
flat angles P-C4'-P energy: -3.325
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: 7, replica: 6
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -26.094347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.094347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.094347 (E_RNA)
where:
Base-Base interactions energy: -8.692
where: short stacking energy: -8.692
Base-Backbone interact. energy: -0.000
local terms energy: -17.402395
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -4.246
flat angles P-C4'-P energy: -2.450
tors. eta vs tors. theta energy: -1.365
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: 9
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -28.180977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.180977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.180977 (E_RNA)
where:
Base-Base interactions energy: -12.513
where: short stacking energy: -12.513
Base-Backbone interact. energy: -0.000
local terms energy: -15.668431
where:
bonds (distance) C4'-P energy: -0.959
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -3.942
flat angles P-C4'-P energy: -2.885
tors. eta vs tors. theta energy: -3.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -29.459015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.459015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.459015 (E_RNA)
where:
Base-Base interactions energy: -12.622
where: short stacking energy: -12.622
Base-Backbone interact. energy: -0.000
local terms energy: -16.836789
where:
bonds (distance) C4'-P energy: -2.325
bonds (distance) P-C4' energy: -3.553
flat angles C4'-P-C4' energy: -4.249
flat angles P-C4'-P energy: -2.795
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: 10, replica: 2
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -23.944045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.944045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.944045 (E_RNA)
where:
Base-Base interactions energy: -8.924
where: short stacking energy: -8.924
Base-Backbone interact. energy: -0.000
local terms energy: -15.020465
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -2.867
flat angles C4'-P-C4' energy: -3.057
flat angles P-C4'-P energy: -2.025
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: 1
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -33.479535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.479535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.479535 (E_RNA)
where:
Base-Base interactions energy: -12.539
where: short stacking energy: -12.539
Base-Backbone interact. energy: -0.000
local terms energy: -20.940778
where:
bonds (distance) C4'-P energy: -3.268
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.481
flat angles P-C4'-P energy: -3.367
tors. eta vs tors. theta energy: -4.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -34.343692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.343692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.343692 (E_RNA)
where:
Base-Base interactions energy: -13.408
where: short stacking energy: -13.408
Base-Backbone interact. energy: -0.000
local terms energy: -20.935619
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.871
flat angles P-C4'-P energy: -3.530
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: 3, replica: 5
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -33.463145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.463145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.463145 (E_RNA)
where:
Base-Base interactions energy: -16.071
where: short stacking energy: -16.071
Base-Backbone interact. energy: -0.000
local terms energy: -17.392102
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -3.811
flat angles C4'-P-C4' energy: -3.174
flat angles P-C4'-P energy: -1.279
tors. eta vs tors. theta energy: -4.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -29.021403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.021403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.021403 (E_RNA)
where:
Base-Base interactions energy: -13.183
where: short stacking energy: -12.276
Base-Backbone interact. energy: -0.000
local terms energy: -15.838706
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -3.205
flat angles P-C4'-P energy: -2.304
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: 5, replica: 10
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -28.908087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.908087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.908087 (E_RNA)
where:
Base-Base interactions energy: -8.819
where: short stacking energy: -8.819
Base-Backbone interact. energy: -0.000
local terms energy: -20.088715
where:
bonds (distance) C4'-P energy: -4.154
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -3.128
flat angles P-C4'-P energy: -3.211
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: 6, replica: 7
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -31.919374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.919374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.919374 (E_RNA)
where:
Base-Base interactions energy: -16.097
where: short stacking energy: -16.097
Base-Backbone interact. energy: -0.000
local terms energy: -15.822303
where:
bonds (distance) C4'-P energy: -4.341
bonds (distance) P-C4' energy: -3.329
flat angles C4'-P-C4' energy: -3.467
flat angles P-C4'-P energy: -1.403
tors. eta vs tors. theta energy: -3.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -28.812992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.812992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.812992 (E_RNA)
where:
Base-Base interactions energy: -11.039
where: short stacking energy: -11.039
Base-Backbone interact. energy: -0.000
local terms energy: -17.773897
where:
bonds (distance) C4'-P energy: -3.194
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -4.403
flat angles P-C4'-P energy: -2.257
tors. eta vs tors. theta energy: -2.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -23.473516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.473516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.473516 (E_RNA)
where:
Base-Base interactions energy: -8.838
where: short stacking energy: -8.838
Base-Backbone interact. energy: -0.000
local terms energy: -14.635457
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.747
flat angles P-C4'-P energy: -1.272
tors. eta vs tors. theta energy: -0.838
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: 2
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -25.067104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.067104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.067104 (E_RNA)
where:
Base-Base interactions energy: -8.723
where: short stacking energy: -8.723
Base-Backbone interact. energy: -0.010
local terms energy: -16.333647
where:
bonds (distance) C4'-P energy: -3.264
bonds (distance) P-C4' energy: -4.044
flat angles C4'-P-C4' energy: -3.716
flat angles P-C4'-P energy: -3.453
tors. eta vs tors. theta energy: -1.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -24.788393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.788393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.788393 (E_RNA)
where:
Base-Base interactions energy: -9.095
where: short stacking energy: -9.095
Base-Backbone interact. energy: -0.008
local terms energy: -15.685400
where:
bonds (distance) C4'-P energy: -4.038
bonds (distance) P-C4' energy: -4.174
flat angles C4'-P-C4' energy: -2.626
flat angles P-C4'-P energy: -3.359
tors. eta vs tors. theta energy: -1.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -37.544760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.544760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.544760 (E_RNA)
where:
Base-Base interactions energy: -15.768
where: short stacking energy: -15.768
Base-Backbone interact. energy: -0.000
local terms energy: -21.776325
where:
bonds (distance) C4'-P energy: -4.303
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -4.786
flat angles P-C4'-P energy: -3.740
tors. eta vs tors. theta energy: -3.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -32.517483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.517483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.517483 (E_RNA)
where:
Base-Base interactions energy: -11.817
where: short stacking energy: -11.817
Base-Backbone interact. energy: -0.000
local terms energy: -20.700377
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.530
flat angles P-C4'-P energy: -3.114
tors. eta vs tors. theta energy: -3.825
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: 3, replica: 8
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -32.934804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.934804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.934804 (E_RNA)
where:
Base-Base interactions energy: -13.471
where: short stacking energy: -13.471
Base-Backbone interact. energy: -0.000
local terms energy: -19.464220
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.877
flat angles P-C4'-P energy: -2.818
tors. eta vs tors. theta energy: -3.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -34.422950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.422950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.422950 (E_RNA)
where:
Base-Base interactions energy: -18.034
where: short stacking energy: -18.034
Base-Backbone interact. energy: -0.000
local terms energy: -16.389303
where:
bonds (distance) C4'-P energy: -2.494
bonds (distance) P-C4' energy: -3.321
flat angles C4'-P-C4' energy: -4.595
flat angles P-C4'-P energy: -1.187
tors. eta vs tors. theta energy: -4.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -29.458945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.458945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.458945 (E_RNA)
where:
Base-Base interactions energy: -12.080
where: short stacking energy: -12.080
Base-Backbone interact. energy: -0.000
local terms energy: -17.378569
where:
bonds (distance) C4'-P energy: -2.216
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -3.991
flat angles P-C4'-P energy: -2.597
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: 6, replica: 6
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -30.212780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.212780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.212780 (E_RNA)
where:
Base-Base interactions energy: -13.712
where: short stacking energy: -13.712
Base-Backbone interact. energy: -0.000
local terms energy: -16.500707
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -2.006
flat angles P-C4'-P energy: -2.802
tors. eta vs tors. theta energy: -2.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -28.147369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.147369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.147369 (E_RNA)
where:
Base-Base interactions energy: -9.719
where: short stacking energy: -9.719
Base-Backbone interact. energy: -0.000
local terms energy: -18.428573
where:
bonds (distance) C4'-P energy: -3.558
bonds (distance) P-C4' energy: -4.342
flat angles C4'-P-C4' energy: -4.402
flat angles P-C4'-P energy: -2.902
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: 2
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -26.883567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.883567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.883567 (E_RNA)
where:
Base-Base interactions energy: -8.579
where: short stacking energy: -8.579
Base-Backbone interact. energy: -0.000
local terms energy: -18.304944
where:
bonds (distance) C4'-P energy: -4.038
bonds (distance) P-C4' energy: -4.406
flat angles C4'-P-C4' energy: -4.647
flat angles P-C4'-P energy: -2.776
tors. eta vs tors. theta energy: -2.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -28.789992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.789992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.789992 (E_RNA)
where:
Base-Base interactions energy: -10.551
where: short stacking energy: -10.551
Base-Backbone interact. energy: -0.000
local terms energy: -18.239106
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -4.177
flat angles C4'-P-C4' energy: -4.659
flat angles P-C4'-P energy: -2.560
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: 10, replica: 3
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -28.038077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.038077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.038077 (E_RNA)
where:
Base-Base interactions energy: -8.783
where: short stacking energy: -8.783
Base-Backbone interact. energy: -0.000
local terms energy: -19.255277
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -4.801
flat angles P-C4'-P energy: -2.957
tors. eta vs tors. theta energy: -2.354
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: 120
Temperature: 0.900000
Total energy: -35.314475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.314475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.314475 (E_RNA)
where:
Base-Base interactions energy: -17.324
where: short stacking energy: -17.324
Base-Backbone interact. energy: -0.000
local terms energy: -17.990538
where:
bonds (distance) C4'-P energy: -4.154
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.191
flat angles P-C4'-P energy: -1.076
tors. eta vs tors. theta energy: -3.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -27.613879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.613879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.613879 (E_RNA)
where:
Base-Base interactions energy: -10.261
where: short stacking energy: -10.261
Base-Backbone interact. energy: -0.000
local terms energy: -17.353179
where:
bonds (distance) C4'-P energy: -3.861
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.625
flat angles P-C4'-P energy: -2.124
tors. eta vs tors. theta energy: -3.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -31.674550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.674550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.674550 (E_RNA)
where:
Base-Base interactions energy: -13.115
where: short stacking energy: -13.115
Base-Backbone interact. energy: -0.000
local terms energy: -18.559173
where:
bonds (distance) C4'-P energy: -3.629
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.668
flat angles P-C4'-P energy: -4.139
tors. eta vs tors. theta energy: -2.029
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: 10
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -31.239954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.239954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.239954 (E_RNA)
where:
Base-Base interactions energy: -13.436
where: short stacking energy: -13.436
Base-Backbone interact. energy: -0.001
local terms energy: -17.803468
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -5.361
flat angles C4'-P-C4' energy: -4.078
flat angles P-C4'-P energy: -2.901
tors. eta vs tors. theta energy: -1.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -31.672960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.672960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.672960 (E_RNA)
where:
Base-Base interactions energy: -12.122
where: short stacking energy: -12.122
Base-Backbone interact. energy: -0.000
local terms energy: -19.550484
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.084
flat angles P-C4'-P energy: -2.894
tors. eta vs tors. theta energy: -3.648
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: 4
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -25.728626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.728626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.728626 (E_RNA)
where:
Base-Base interactions energy: -10.259
where: short stacking energy: -10.259
Base-Backbone interact. energy: -0.009
local terms energy: -15.459872
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -4.202
flat angles C4'-P-C4' energy: -2.885
flat angles P-C4'-P energy: -3.873
tors. eta vs tors. theta energy: -0.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -30.876351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.876351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.876351 (E_RNA)
where:
Base-Base interactions energy: -14.008
where: short stacking energy: -14.008
Base-Backbone interact. energy: -0.000
local terms energy: -16.867892
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -2.207
flat angles P-C4'-P energy: -2.027
tors. eta vs tors. theta energy: -3.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -29.114035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.114035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.114035 (E_RNA)
where:
Base-Base interactions energy: -11.731
where: short stacking energy: -11.056
Base-Backbone interact. energy: -0.000
local terms energy: -17.383202
where:
bonds (distance) C4'-P energy: -3.301
bonds (distance) P-C4' energy: -3.984
flat angles C4'-P-C4' energy: -3.642
flat angles P-C4'-P energy: -3.537
tors. eta vs tors. theta energy: -2.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -28.564731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.564731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.564731 (E_RNA)
where:
Base-Base interactions energy: -11.155
where: short stacking energy: -11.155
Base-Backbone interact. energy: -0.001
local terms energy: -17.408200
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -4.614
flat angles P-C4'-P energy: -1.282
tors. eta vs tors. theta energy: -2.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -23.606388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.606388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.606388 (E_RNA)
where:
Base-Base interactions energy: -8.442
where: short stacking energy: -8.442
Base-Backbone interact. energy: -0.052
local terms energy: -15.112750
where:
bonds (distance) C4'-P energy: -3.152
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.503
flat angles P-C4'-P energy: -3.957
tors. eta vs tors. theta energy: 0.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -33.975156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.975156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.975156 (E_RNA)
where:
Base-Base interactions energy: -17.125
where: short stacking energy: -17.125
Base-Backbone interact. energy: -0.000
local terms energy: -16.850200
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.177
flat angles C4'-P-C4' energy: -2.055
flat angles P-C4'-P energy: -0.932
tors. eta vs tors. theta energy: -5.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -39.120454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.120454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.120454 (E_RNA)
where:
Base-Base interactions energy: -17.817
where: short stacking energy: -17.817
Base-Backbone interact. energy: -0.000
local terms energy: -21.303422
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -3.828
flat angles P-C4'-P energy: -2.787
tors. eta vs tors. theta energy: -5.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -25.791374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.791374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.791374 (E_RNA)
where:
Base-Base interactions energy: -9.157
where: short stacking energy: -9.157
Base-Backbone interact. energy: -0.000
local terms energy: -16.634151
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.271
flat angles P-C4'-P energy: -3.052
tors. eta vs tors. theta energy: -0.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -30.898106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.898106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.898106 (E_RNA)
where:
Base-Base interactions energy: -12.672
where: short stacking energy: -12.672
Base-Backbone interact. energy: -0.000
local terms energy: -18.226460
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.395
flat angles C4'-P-C4' energy: -4.206
flat angles P-C4'-P energy: -0.448
tors. eta vs tors. theta energy: -5.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -24.264762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.264762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.264762 (E_RNA)
where:
Base-Base interactions energy: -8.251
where: short stacking energy: -8.251
Base-Backbone interact. energy: -0.000
local terms energy: -16.013939
where:
bonds (distance) C4'-P energy: -3.708
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -4.042
flat angles P-C4'-P energy: -3.241
tors. eta vs tors. theta energy: -0.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -24.987488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.987488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.987488 (E_RNA)
where:
Base-Base interactions energy: -9.210
where: short stacking energy: -9.210
Base-Backbone interact. energy: -0.026
local terms energy: -15.752025
where:
bonds (distance) C4'-P energy: -4.038
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -2.427
flat angles P-C4'-P energy: -3.574
tors. eta vs tors. theta energy: -0.595
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: 4
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -26.380162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.380162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.380162 (E_RNA)
where:
Base-Base interactions energy: -11.371
where: short stacking energy: -11.371
Base-Backbone interact. energy: 0.689
local terms energy: -15.698155
where:
bonds (distance) C4'-P energy: -1.960
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.351
flat angles P-C4'-P energy: -1.494
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: 8, replica: 3
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -24.367115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.367115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.367115 (E_RNA)
where:
Base-Base interactions energy: -10.000
where: short stacking energy: -10.000
Base-Backbone interact. energy: -0.014
local terms energy: -14.352912
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -4.437
flat angles P-C4'-P energy: 0.317
tors. eta vs tors. theta energy: -1.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -29.087316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.087316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.087316 (E_RNA)
where:
Base-Base interactions energy: -13.202
where: short stacking energy: -13.202
Base-Backbone interact. energy: -0.026
local terms energy: -15.858890
where:
bonds (distance) C4'-P energy: -2.634
bonds (distance) P-C4' energy: -4.339
flat angles C4'-P-C4' energy: -4.049
flat angles P-C4'-P energy: -3.503
tors. eta vs tors. theta energy: -1.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -24.998910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.998910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.998910 (E_RNA)
where:
Base-Base interactions energy: -10.916
where: short stacking energy: -7.864
Base-Backbone interact. energy: -0.002
local terms energy: -14.080591
where:
bonds (distance) C4'-P energy: -2.796
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -2.409
flat angles P-C4'-P energy: -1.050
tors. eta vs tors. theta energy: -2.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -36.873972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.873972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.873972 (E_RNA)
where:
Base-Base interactions energy: -16.423
where: short stacking energy: -16.423
Base-Backbone interact. energy: -0.000
local terms energy: -20.450608
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -3.523
flat angles P-C4'-P energy: -3.666
tors. eta vs tors. theta energy: -3.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -34.001385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.001385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.001385 (E_RNA)
where:
Base-Base interactions energy: -14.280
where: short stacking energy: -14.280
Base-Backbone interact. energy: -0.000
local terms energy: -19.721169
where:
bonds (distance) C4'-P energy: -4.063
bonds (distance) P-C4' energy: -3.075
flat angles C4'-P-C4' energy: -4.801
flat angles P-C4'-P energy: -2.475
tors. eta vs tors. theta energy: -5.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -28.949218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.949218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.949218 (E_RNA)
where:
Base-Base interactions energy: -13.312
where: short stacking energy: -13.312
Base-Backbone interact. energy: -0.082
local terms energy: -15.555983
where:
bonds (distance) C4'-P energy: -3.335
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -3.783
flat angles P-C4'-P energy: -3.016
tors. eta vs tors. theta energy: -0.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -28.466580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.466580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.466580 (E_RNA)
where:
Base-Base interactions energy: -11.309
where: short stacking energy: -11.309
Base-Backbone interact. energy: -0.000
local terms energy: -17.157847
where:
bonds (distance) C4'-P energy: -3.773
bonds (distance) P-C4' energy: -4.202
flat angles C4'-P-C4' energy: -3.588
flat angles P-C4'-P energy: -3.772
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: 5, replica: 10
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -25.908698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.908698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.908698 (E_RNA)
where:
Base-Base interactions energy: -8.084
where: short stacking energy: -7.367
Base-Backbone interact. energy: -0.000
local terms energy: -17.824938
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -3.537
flat angles P-C4'-P energy: -2.355
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: 6, replica: 2
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -31.027740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.027740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.027740 (E_RNA)
where:
Base-Base interactions energy: -12.663
where: short stacking energy: -12.663
Base-Backbone interact. energy: -0.000
local terms energy: -18.364416
where:
bonds (distance) C4'-P energy: -4.634
bonds (distance) P-C4' energy: -4.600
flat angles C4'-P-C4' energy: -3.251
flat angles P-C4'-P energy: -2.661
tors. eta vs tors. theta energy: -3.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -29.856042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.856042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.856042 (E_RNA)
where:
Base-Base interactions energy: -12.220
where: short stacking energy: -12.220
Base-Backbone interact. energy: -0.000
local terms energy: -17.636223
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -2.865
flat angles P-C4'-P energy: -2.446
tors. eta vs tors. theta energy: -2.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -25.849001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.849001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.849001 (E_RNA)
where:
Base-Base interactions energy: -8.730
where: short stacking energy: -8.730
Base-Backbone interact. energy: -0.080
local terms energy: -17.039177
where:
bonds (distance) C4'-P energy: -3.637
bonds (distance) P-C4' energy: -4.205
flat angles C4'-P-C4' energy: -4.080
flat angles P-C4'-P energy: -3.018
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: 9, replica: 9
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -29.849726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.849726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.849726 (E_RNA)
where:
Base-Base interactions energy: -10.146
where: short stacking energy: -5.921
Base-Backbone interact. energy: -0.001
local terms energy: -19.703162
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -4.152
flat angles P-C4'-P energy: -3.100
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: 10, replica: 7
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -25.420835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.420835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.420835 (E_RNA)
where:
Base-Base interactions energy: -11.281
where: short stacking energy: -11.281
Base-Backbone interact. energy: -0.000
local terms energy: -14.139929
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -1.867
flat angles C4'-P-C4' energy: -3.796
flat angles P-C4'-P energy: -1.444
tors. eta vs tors. theta energy: -3.033
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: 8
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -39.988420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.988420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.988420 (E_RNA)
where:
Base-Base interactions energy: -18.614
where: short stacking energy: -18.614
Base-Backbone interact. energy: -0.000
local terms energy: -21.374775
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -3.950
flat angles P-C4'-P energy: -2.788
tors. eta vs tors. theta energy: -5.386
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: 123
Temperature: 0.950000
Total energy: -39.408552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.408552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.408552 (E_RNA)
where:
Base-Base interactions energy: -17.215
where: short stacking energy: -17.215
Base-Backbone interact. energy: -0.000
local terms energy: -22.193691
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -3.620
flat angles P-C4'-P energy: -3.929
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: 3, replica: 1
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -32.816296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.816296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.816296 (E_RNA)
where:
Base-Base interactions energy: -14.378
where: short stacking energy: -14.378
Base-Backbone interact. energy: -0.000
local terms energy: -18.438073
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -2.899
flat angles P-C4'-P energy: -2.817
tors. eta vs tors. theta energy: -4.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -26.745054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.745054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.745054 (E_RNA)
where:
Base-Base interactions energy: -9.399
where: short stacking energy: -6.261
Base-Backbone interact. energy: -0.063
local terms energy: -17.282403
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.036
flat angles P-C4'-P energy: -2.978
tors. eta vs tors. theta energy: -1.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -34.684758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.684758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.684758 (E_RNA)
where:
Base-Base interactions energy: -15.584
where: short stacking energy: -15.584
Base-Backbone interact. energy: -0.000
local terms energy: -19.100553
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.486
flat angles P-C4'-P energy: -3.007
tors. eta vs tors. theta energy: -3.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -33.436694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.436694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.436694 (E_RNA)
where:
Base-Base interactions energy: -14.127
where: short stacking energy: -14.127
Base-Backbone interact. energy: -0.000
local terms energy: -19.309510
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.767
flat angles P-C4'-P energy: -1.645
tors. eta vs tors. theta energy: -4.261
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: 2
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -25.753490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.753490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.753490 (E_RNA)
where:
Base-Base interactions energy: -11.154
where: short stacking energy: -11.154
Base-Backbone interact. energy: -0.000
local terms energy: -14.599426
where:
bonds (distance) C4'-P energy: -1.935
bonds (distance) P-C4' energy: -1.892
flat angles C4'-P-C4' energy: -4.341
flat angles P-C4'-P energy: -2.575
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: 8, replica: 9
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -34.753779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.753779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.753779 (E_RNA)
where:
Base-Base interactions energy: -14.429
where: short stacking energy: -14.429
Base-Backbone interact. energy: -0.000
local terms energy: -20.324965
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.633
flat angles P-C4'-P energy: -3.027
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: 9, replica: 4
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -28.048661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.048661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.048661 (E_RNA)
where:
Base-Base interactions energy: -11.511
where: short stacking energy: -11.511
Base-Backbone interact. energy: -0.000
local terms energy: -16.537328
where:
bonds (distance) C4'-P energy: -3.182
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -4.629
flat angles P-C4'-P energy: -1.439
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: 7
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -28.227169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.227169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.227169 (E_RNA)
where:
Base-Base interactions energy: -7.378
where: short stacking energy: -7.378
Base-Backbone interact. energy: -0.000
local terms energy: -20.848776
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -4.254
flat angles P-C4'-P energy: -3.957
tors. eta vs tors. theta energy: -3.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -38.578188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.578188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.578188 (E_RNA)
where:
Base-Base interactions energy: -17.151
where: short stacking energy: -17.151
Base-Backbone interact. energy: -0.000
local terms energy: -21.426855
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.132
flat angles P-C4'-P energy: -2.823
tors. eta vs tors. theta energy: -5.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -26.679436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.679436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.679436 (E_RNA)
where:
Base-Base interactions energy: -7.623
where: short stacking energy: -7.623
Base-Backbone interact. energy: -0.000
local terms energy: -19.056684
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -4.324
flat angles P-C4'-P energy: -2.705
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: 3, replica: 10
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -31.745739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.745739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.745739 (E_RNA)
where:
Base-Base interactions energy: -15.335
where: short stacking energy: -7.803
Base-Backbone interact. energy: -0.232
local terms energy: -16.178156
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.436
flat angles P-C4'-P energy: -2.153
tors. eta vs tors. theta energy: -0.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -31.772120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.772120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.772120 (E_RNA)
where:
Base-Base interactions energy: -12.524
where: short stacking energy: -12.524
Base-Backbone interact. energy: -0.000
local terms energy: -19.247847
where:
bonds (distance) C4'-P energy: -3.169
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.557
flat angles P-C4'-P energy: -3.056
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: 5, replica: 3
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -28.687120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.687120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.687120 (E_RNA)
where:
Base-Base interactions energy: -9.881
where: short stacking energy: -9.881
Base-Backbone interact. energy: -0.000
local terms energy: -18.806264
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.156
flat angles C4'-P-C4' energy: -4.256
flat angles P-C4'-P energy: -2.858
tors. eta vs tors. theta energy: -3.428
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: 6, replica: 5
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -29.114300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.114300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.114300 (E_RNA)
where:
Base-Base interactions energy: -12.532
where: short stacking energy: -12.532
Base-Backbone interact. energy: -0.040
local terms energy: -16.542834
where:
bonds (distance) C4'-P energy: -3.256
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.367
flat angles P-C4'-P energy: -2.171
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: 7, replica: 9
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -34.657846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.657846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.657846 (E_RNA)
where:
Base-Base interactions energy: -14.386
where: short stacking energy: -14.386
Base-Backbone interact. energy: -0.000
local terms energy: -20.271372
where:
bonds (distance) C4'-P energy: -3.629
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -4.483
flat angles P-C4'-P energy: -3.413
tors. eta vs tors. theta energy: -3.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -27.100062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.100062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.100062 (E_RNA)
where:
Base-Base interactions energy: -13.130
where: short stacking energy: -8.509
Base-Backbone interact. energy: -0.000
local terms energy: -13.970471
where:
bonds (distance) C4'-P energy: -3.247
bonds (distance) P-C4' energy: -4.624
flat angles C4'-P-C4' energy: -3.608
flat angles P-C4'-P energy: -1.973
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: 7
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -29.011586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.011586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.011586 (E_RNA)
where:
Base-Base interactions energy: -14.332
where: short stacking energy: -14.332
Base-Backbone interact. energy: -0.000
local terms energy: -14.679403
where:
bonds (distance) C4'-P energy: -4.055
bonds (distance) P-C4' energy: -3.787
flat angles C4'-P-C4' energy: -3.821
flat angles P-C4'-P energy: -0.644
tors. eta vs tors. theta energy: -2.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -25.916950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.916950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.916950 (E_RNA)
where:
Base-Base interactions energy: -9.985
where: short stacking energy: -9.985
Base-Backbone interact. energy: -0.100
local terms energy: -15.831810
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -3.456
flat angles P-C4'-P energy: -2.806
tors. eta vs tors. theta energy: -0.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -31.363389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.363389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.363389 (E_RNA)
where:
Base-Base interactions energy: -12.726
where: short stacking energy: -12.726
Base-Backbone interact. energy: -0.000
local terms energy: -18.636910
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -4.600
flat angles C4'-P-C4' energy: -4.229
flat angles P-C4'-P energy: -3.211
tors. eta vs tors. theta energy: -2.373
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: 125
Temperature: 0.950000
Total energy: -32.924341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.924341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.924341 (E_RNA)
where:
Base-Base interactions energy: -13.959
where: short stacking energy: -13.959
Base-Backbone interact. energy: -0.000
local terms energy: -18.964812
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.607
flat angles P-C4'-P energy: -2.672
tors. eta vs tors. theta energy: -3.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -30.494224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.494224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.494224 (E_RNA)
where:
Base-Base interactions energy: -12.337
where: short stacking energy: -12.337
Base-Backbone interact. energy: -0.000
local terms energy: -18.156847
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -3.748
flat angles C4'-P-C4' energy: -4.363
flat angles P-C4'-P energy: -2.969
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: 4, replica: 3
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -29.232947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.232947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.232947 (E_RNA)
where:
Base-Base interactions energy: -12.960
where: short stacking energy: -12.960
Base-Backbone interact. energy: -0.000
local terms energy: -16.273285
where:
bonds (distance) C4'-P energy: -2.386
bonds (distance) P-C4' energy: -4.569
flat angles C4'-P-C4' energy: -4.235
flat angles P-C4'-P energy: -3.509
tors. eta vs tors. theta energy: -1.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -24.930160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.930160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.930160 (E_RNA)
where:
Base-Base interactions energy: -8.457
where: short stacking energy: -8.457
Base-Backbone interact. energy: -0.002
local terms energy: -16.471376
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.592
flat angles P-C4'-P energy: -3.441
tors. eta vs tors. theta energy: -0.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -34.511971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.511971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.511971 (E_RNA)
where:
Base-Base interactions energy: -19.482
where: short stacking energy: -13.289
Base-Backbone interact. energy: -0.002
local terms energy: -15.027416
where:
bonds (distance) C4'-P energy: -3.268
bonds (distance) P-C4' energy: -4.603
flat angles C4'-P-C4' energy: -3.909
flat angles P-C4'-P energy: -1.804
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: 7, replica: 5
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -29.538925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.538925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.538925 (E_RNA)
where:
Base-Base interactions energy: -13.092
where: short stacking energy: -13.092
Base-Backbone interact. energy: 1.421
local terms energy: -17.868144
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -3.205
flat angles C4'-P-C4' energy: -4.786
flat angles P-C4'-P energy: -2.131
tors. eta vs tors. theta energy: -3.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -30.369977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.369977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.369977 (E_RNA)
where:
Base-Base interactions energy: -11.931
where: short stacking energy: -11.931
Base-Backbone interact. energy: -0.056
local terms energy: -18.383612
where:
bonds (distance) C4'-P energy: -3.815
bonds (distance) P-C4' energy: -4.346
flat angles C4'-P-C4' energy: -3.946
flat angles P-C4'-P energy: -3.234
tors. eta vs tors. theta energy: -3.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -23.507820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.507820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.507820 (E_RNA)
where:
Base-Base interactions energy: -6.229
where: short stacking energy: -6.229
Base-Backbone interact. energy: -0.030
local terms energy: -17.248567
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -3.244
flat angles P-C4'-P energy: -3.404
tors. eta vs tors. theta energy: -1.036
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: 4
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -29.468588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.468588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.468588 (E_RNA)
where:
Base-Base interactions energy: -9.698
where: short stacking energy: -9.698
Base-Backbone interact. energy: -0.000
local terms energy: -19.770184
where:
bonds (distance) C4'-P energy: -3.923
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -3.214
flat angles P-C4'-P energy: -3.663
tors. eta vs tors. theta energy: -4.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -38.697343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.697343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.697343 (E_RNA)
where:
Base-Base interactions energy: -16.923
where: short stacking energy: -16.923
Base-Backbone interact. energy: -0.000
local terms energy: -21.774716
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.624
flat angles C4'-P-C4' energy: -4.360
flat angles P-C4'-P energy: -3.169
tors. eta vs tors. theta energy: -5.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -34.908481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.908481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.908481 (E_RNA)
where:
Base-Base interactions energy: -17.038
where: short stacking energy: -17.038
Base-Backbone interact. energy: -0.000
local terms energy: -17.870174
where:
bonds (distance) C4'-P energy: -4.535
bonds (distance) P-C4' energy: -3.588
flat angles C4'-P-C4' energy: -2.786
flat angles P-C4'-P energy: -3.250
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: 3, replica: 3
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -36.499502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.499502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.499502 (E_RNA)
where:
Base-Base interactions energy: -14.031
where: short stacking energy: -14.031
Base-Backbone interact. energy: -0.000
local terms energy: -22.468878
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.315
flat angles P-C4'-P energy: -3.320
tors. eta vs tors. theta energy: -5.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -27.099642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.099642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.099642 (E_RNA)
where:
Base-Base interactions energy: -11.510
where: short stacking energy: -11.510
Base-Backbone interact. energy: -0.001
local terms energy: -15.589005
where:
bonds (distance) C4'-P energy: -3.194
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -4.308
flat angles P-C4'-P energy: -2.202
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: 5, replica: 1
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -36.351097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.351097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.351097 (E_RNA)
where:
Base-Base interactions energy: -16.181
where: short stacking energy: -16.181
Base-Backbone interact. energy: -0.000
local terms energy: -20.170117
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -3.830
flat angles P-C4'-P energy: -2.975
tors. eta vs tors. theta energy: -3.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -26.151837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.151837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.151837 (E_RNA)
where:
Base-Base interactions energy: -12.611
where: short stacking energy: -12.611
Base-Backbone interact. energy: -0.000
local terms energy: -13.540009
where:
bonds (distance) C4'-P energy: -2.904
bonds (distance) P-C4' energy: -1.852
flat angles C4'-P-C4' energy: -4.731
flat angles P-C4'-P energy: -2.068
tors. eta vs tors. theta energy: -1.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -33.556870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.556870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.556870 (E_RNA)
where:
Base-Base interactions energy: -15.792
where: short stacking energy: -15.792
Base-Backbone interact. energy: -0.000
local terms energy: -17.764587
where:
bonds (distance) C4'-P energy: -3.513
bonds (distance) P-C4' energy: -4.410
flat angles C4'-P-C4' energy: -3.582
flat angles P-C4'-P energy: -3.263
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: 8, replica: 5
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -27.479849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.479849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.479849 (E_RNA)
where:
Base-Base interactions energy: -9.450
where: short stacking energy: -9.450
Base-Backbone interact. energy: -0.000
local terms energy: -18.029919
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.275
flat angles P-C4'-P energy: -2.979
tors. eta vs tors. theta energy: -2.008
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: 4
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -30.464065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.464065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.464065 (E_RNA)
where:
Base-Base interactions energy: -13.560
where: short stacking energy: -13.560
Base-Backbone interact. energy: -0.000
local terms energy: -16.903990
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -3.168
flat angles P-C4'-P energy: -3.892
tors. eta vs tors. theta energy: -1.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -23.653231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.653231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.653231 (E_RNA)
where:
Base-Base interactions energy: -5.553
where: short stacking energy: -5.553
Base-Backbone interact. energy: -0.001
local terms energy: -18.099551
where:
bonds (distance) C4'-P energy: -3.541
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.943
flat angles P-C4'-P energy: -4.003
tors. eta vs tors. theta energy: -1.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -30.379238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.379238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.379238 (E_RNA)
where:
Base-Base interactions energy: -11.433
where: short stacking energy: -11.433
Base-Backbone interact. energy: -0.000
local terms energy: -18.946240
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.248
flat angles P-C4'-P energy: -2.967
tors. eta vs tors. theta energy: -3.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -32.753013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.753013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.753013 (E_RNA)
where:
Base-Base interactions energy: -13.502
where: short stacking energy: -13.502
Base-Backbone interact. energy: -0.000
local terms energy: -19.250978
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -2.625
flat angles P-C4'-P energy: -2.667
tors. eta vs tors. theta energy: -4.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -38.427054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.427054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.427054 (E_RNA)
where:
Base-Base interactions energy: -17.969
where: short stacking energy: -17.969
Base-Backbone interact. energy: -0.000
local terms energy: -20.458058
where:
bonds (distance) C4'-P energy: -2.812
bonds (distance) P-C4' energy: -4.832
flat angles C4'-P-C4' energy: -4.207
flat angles P-C4'-P energy: -3.133
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: 4, replica: 1
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -33.786516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.786516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.786516 (E_RNA)
where:
Base-Base interactions energy: -12.995
where: short stacking energy: -12.995
Base-Backbone interact. energy: -0.000
local terms energy: -20.791283
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.047
flat angles C4'-P-C4' energy: -4.695
flat angles P-C4'-P energy: -2.607
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: 5, replica: 8
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -34.192667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.192667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.192667 (E_RNA)
where:
Base-Base interactions energy: -15.148
where: short stacking energy: -15.148
Base-Backbone interact. energy: -0.000
local terms energy: -19.045136
where:
bonds (distance) C4'-P energy: -4.009
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -4.614
flat angles P-C4'-P energy: -1.486
tors. eta vs tors. theta energy: -4.737
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: 127
Temperature: 1.150000
Total energy: -34.076114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.076114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.076114 (E_RNA)
where:
Base-Base interactions energy: -12.972
where: short stacking energy: -12.972
Base-Backbone interact. energy: -0.000
local terms energy: -21.104589
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.918
flat angles P-C4'-P energy: -3.143
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: 7, replica: 9
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -24.361326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.361326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.361326 (E_RNA)
where:
Base-Base interactions energy: -12.353
where: short stacking energy: -12.353
Base-Backbone interact. energy: -0.018
local terms energy: -11.990765
where:
bonds (distance) C4'-P energy: -2.031
bonds (distance) P-C4' energy: -3.815
flat angles C4'-P-C4' energy: -3.340
flat angles P-C4'-P energy: -2.683
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: 8, replica: 4
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -30.929488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.929488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.929488 (E_RNA)
where:
Base-Base interactions energy: -14.977
where: short stacking energy: -14.977
Base-Backbone interact. energy: -0.000
local terms energy: -15.952404
where:
bonds (distance) C4'-P energy: -0.362
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -2.492
flat angles P-C4'-P energy: -3.824
tors. eta vs tors. theta energy: -3.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -25.420801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.420801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.420801 (E_RNA)
where:
Base-Base interactions energy: -10.698
where: short stacking energy: -10.698
Base-Backbone interact. energy: -0.000
local terms energy: -14.722771
where:
bonds (distance) C4'-P energy: -3.264
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -4.116
flat angles P-C4'-P energy: 0.980
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: 10, replica: 2
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -25.256545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.256545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.256545 (E_RNA)
where:
Base-Base interactions energy: -10.220
where: short stacking energy: -4.588
Base-Backbone interact. energy: -0.001
local terms energy: -15.035676
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -4.603
flat angles C4'-P-C4' energy: -4.452
flat angles P-C4'-P energy: -0.845
tors. eta vs tors. theta energy: -1.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -36.374679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.374679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.374679 (E_RNA)
where:
Base-Base interactions energy: -17.314
where: short stacking energy: -17.314
Base-Backbone interact. energy: -0.000
local terms energy: -19.060889
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.867
flat angles C4'-P-C4' energy: -3.619
flat angles P-C4'-P energy: -2.811
tors. eta vs tors. theta energy: -3.352
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: 128
Temperature: 0.950000
Total energy: -32.856063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.856063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.856063 (E_RNA)
where:
Base-Base interactions energy: -14.967
where: short stacking energy: -9.281
Base-Backbone interact. energy: -0.008
local terms energy: -17.881051
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -4.047
flat angles C4'-P-C4' energy: -4.147
flat angles P-C4'-P energy: -2.973
tors. eta vs tors. theta energy: -2.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -36.540803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.540803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.540803 (E_RNA)
where:
Base-Base interactions energy: -17.142
where: short stacking energy: -17.142
Base-Backbone interact. energy: -0.000
local terms energy: -19.398909
where:
bonds (distance) C4'-P energy: -3.897
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.436
flat angles P-C4'-P energy: -3.638
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: 4, replica: 1
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -29.155605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.155605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.155605 (E_RNA)
where:
Base-Base interactions energy: -13.517
where: short stacking energy: -13.517
Base-Backbone interact. energy: -0.000
local terms energy: -15.638809
where:
bonds (distance) C4'-P energy: -3.861
bonds (distance) P-C4' energy: -4.674
flat angles C4'-P-C4' energy: -4.500
flat angles P-C4'-P energy: -1.195
tors. eta vs tors. theta energy: -1.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -32.089399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.089399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.089399 (E_RNA)
where:
Base-Base interactions energy: -13.975
where: short stacking energy: -13.975
Base-Backbone interact. energy: -0.000
local terms energy: -18.114805
where:
bonds (distance) C4'-P energy: -3.745
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -3.080
flat angles P-C4'-P energy: -3.046
tors. eta vs tors. theta energy: -3.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -29.401596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.401596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.401596 (E_RNA)
where:
Base-Base interactions energy: -14.341
where: short stacking energy: -14.341
Base-Backbone interact. energy: -0.000
local terms energy: -15.060208
where:
bonds (distance) C4'-P energy: -3.753
bonds (distance) P-C4' energy: -3.515
flat angles C4'-P-C4' energy: -3.449
flat angles P-C4'-P energy: -2.511
tors. eta vs tors. theta energy: -1.832
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: 4
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -29.186219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.186219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.186219 (E_RNA)
where:
Base-Base interactions energy: -11.519
where: short stacking energy: -11.519
Base-Backbone interact. energy: -0.000
local terms energy: -17.667517
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -3.790
flat angles C4'-P-C4' energy: -3.245
flat angles P-C4'-P energy: -3.469
tors. eta vs tors. theta energy: -3.055
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: 9
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -30.126513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.126513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.126513 (E_RNA)
where:
Base-Base interactions energy: -11.041
where: short stacking energy: -11.041
Base-Backbone interact. energy: -0.000
local terms energy: -19.085465
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.860
flat angles P-C4'-P energy: -3.197
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: 9, replica: 2
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -22.709728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.709728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.709728 (E_RNA)
where:
Base-Base interactions energy: -8.104
where: short stacking energy: -8.104
Base-Backbone interact. energy: -0.000
local terms energy: -14.605878
where:
bonds (distance) C4'-P energy: -2.307
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -3.380
flat angles P-C4'-P energy: -3.202
tors. eta vs tors. theta energy: -1.285
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: 10, replica: 5
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -24.907296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.907296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.907296 (E_RNA)
where:
Base-Base interactions energy: -8.482
where: short stacking energy: -8.482
Base-Backbone interact. energy: -0.002
local terms energy: -16.423471
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -4.832
flat angles C4'-P-C4' energy: -3.100
flat angles P-C4'-P energy: -2.211
tors. eta vs tors. theta energy: -2.296
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: 3
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -30.132127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.132127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.132127 (E_RNA)
where:
Base-Base interactions energy: -10.491
where: short stacking energy: -10.491
Base-Backbone interact. energy: -0.000
local terms energy: -19.640451
where:
bonds (distance) C4'-P energy: -3.745
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -3.796
flat angles P-C4'-P energy: -3.708
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: 2, replica: 6
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -38.322049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.322049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.322049 (E_RNA)
where:
Base-Base interactions energy: -16.550
where: short stacking energy: -16.550
Base-Backbone interact. energy: -0.000
local terms energy: -21.771929
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.117
flat angles P-C4'-P energy: -3.759
tors. eta vs tors. theta energy: -5.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -30.045325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.045325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.045325 (E_RNA)
where:
Base-Base interactions energy: -12.779
where: short stacking energy: -12.779
Base-Backbone interact. energy: -0.000
local terms energy: -17.265866
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -4.736
flat angles P-C4'-P energy: -1.537
tors. eta vs tors. theta energy: -1.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -32.131584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.131584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.131584 (E_RNA)
where:
Base-Base interactions energy: -13.901
where: short stacking energy: -13.901
Base-Backbone interact. energy: -0.029
local terms energy: -18.201906
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.170
flat angles P-C4'-P energy: -3.911
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: 5, replica: 1
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -32.798492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.798492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.798492 (E_RNA)
where:
Base-Base interactions energy: -11.755
where: short stacking energy: -11.755
Base-Backbone interact. energy: -0.000
local terms energy: -21.043461
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.361
flat angles C4'-P-C4' energy: -4.666
flat angles P-C4'-P energy: -3.690
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: 6, replica: 4
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -25.380958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.380958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.380958 (E_RNA)
where:
Base-Base interactions energy: -8.011
where: short stacking energy: -8.011
Base-Backbone interact. energy: -0.088
local terms energy: -17.282180
where:
bonds (distance) C4'-P energy: -4.858
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -2.852
flat angles P-C4'-P energy: -3.319
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: 7, replica: 8
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -31.097488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.097488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.097488 (E_RNA)
where:
Base-Base interactions energy: -12.452
where: short stacking energy: -12.452
Base-Backbone interact. energy: -0.000
local terms energy: -18.645434
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.836
flat angles P-C4'-P energy: -2.101
tors. eta vs tors. theta energy: -3.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -30.362088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.362088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.362088 (E_RNA)
where:
Base-Base interactions energy: -13.168
where: short stacking energy: -13.168
Base-Backbone interact. energy: -0.000
local terms energy: -17.194135
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.575
flat angles C4'-P-C4' energy: -2.470
flat angles P-C4'-P energy: -2.592
tors. eta vs tors. theta energy: -3.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -27.432722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.432722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.432722 (E_RNA)
where:
Base-Base interactions energy: -13.143
where: short stacking energy: -13.143
Base-Backbone interact. energy: -0.000
local terms energy: -14.289239
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -2.361
flat angles C4'-P-C4' energy: -3.052
flat angles P-C4'-P energy: -2.280
tors. eta vs tors. theta energy: -2.186
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: 5
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -22.198287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.198287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.198287 (E_RNA)
where:
Base-Base interactions energy: -6.995
where: short stacking energy: -6.995
Base-Backbone interact. energy: -0.097
local terms energy: -15.106243
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -4.674
flat angles C4'-P-C4' energy: -2.624
flat angles P-C4'-P energy: -1.999
tors. eta vs tors. theta energy: -1.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -30.828863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.828863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.828863 (E_RNA)
where:
Base-Base interactions energy: -14.926
where: short stacking energy: -7.857
Base-Backbone interact. energy: -0.001
local terms energy: -15.902768
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -3.751
flat angles C4'-P-C4' energy: -3.976
flat angles P-C4'-P energy: -2.044
tors. eta vs tors. theta energy: -1.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -34.025233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.025233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.025233 (E_RNA)
where:
Base-Base interactions energy: -14.075
where: short stacking energy: -14.075
Base-Backbone interact. energy: -0.000
local terms energy: -19.949775
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.569
flat angles C4'-P-C4' energy: -3.919
flat angles P-C4'-P energy: -3.155
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: 3, replica: 7
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -33.059631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.059631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.059631 (E_RNA)
where:
Base-Base interactions energy: -12.551
where: short stacking energy: -12.551
Base-Backbone interact. energy: -0.000
local terms energy: -20.508967
where:
bonds (distance) C4'-P energy: -3.939
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.118
flat angles P-C4'-P energy: -2.535
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: 4, replica: 10
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -27.164074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.164074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.164074 (E_RNA)
where:
Base-Base interactions energy: -11.716
where: short stacking energy: -11.716
Base-Backbone interact. energy: -0.025
local terms energy: -15.422987
where:
bonds (distance) C4'-P energy: -2.900
bonds (distance) P-C4' energy: -3.821
flat angles C4'-P-C4' energy: -1.596
flat angles P-C4'-P energy: -3.831
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: 5, replica: 4
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -27.781210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.781210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.781210 (E_RNA)
where:
Base-Base interactions energy: -11.872
where: short stacking energy: -11.872
Base-Backbone interact. energy: -0.074
local terms energy: -15.834984
where:
bonds (distance) C4'-P energy: -0.159
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.574
flat angles P-C4'-P energy: -3.389
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: 6, replica: 1
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -28.559596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.559596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.559596 (E_RNA)
where:
Base-Base interactions energy: -9.052
where: short stacking energy: -9.052
Base-Backbone interact. energy: -0.000
local terms energy: -19.507151
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -3.697
flat angles P-C4'-P energy: -3.558
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: 7, replica: 2
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -31.968848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.968848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.968848 (E_RNA)
where:
Base-Base interactions energy: -15.297
where: short stacking energy: -15.297
Base-Backbone interact. energy: -0.000
local terms energy: -16.671358
where:
bonds (distance) C4'-P energy: -3.256
bonds (distance) P-C4' energy: -4.202
flat angles C4'-P-C4' energy: -3.600
flat angles P-C4'-P energy: -2.263
tors. eta vs tors. theta energy: -3.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -24.716600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.716600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.716600 (E_RNA)
where:
Base-Base interactions energy: -8.161
where: short stacking energy: -8.161
Base-Backbone interact. energy: -0.002
local terms energy: -16.553715
where:
bonds (distance) C4'-P energy: -3.202
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -3.984
flat angles P-C4'-P energy: -3.461
tors. eta vs tors. theta energy: -1.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -26.457694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.457694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.457694 (E_RNA)
where:
Base-Base interactions energy: -8.668
where: short stacking energy: -8.668
Base-Backbone interact. energy: -0.000
local terms energy: -17.789390
where:
bonds (distance) C4'-P energy: -4.535
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -2.555
flat angles P-C4'-P energy: -3.221
tors. eta vs tors. theta energy: -2.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -26.534522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.534522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.534522 (E_RNA)
where:
Base-Base interactions energy: -10.955
where: short stacking energy: -10.955
Base-Backbone interact. energy: -0.000
local terms energy: -15.579210
where:
bonds (distance) C4'-P energy: -2.254
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.045
flat angles P-C4'-P energy: -2.561
tors. eta vs tors. theta energy: -1.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -36.387636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.387636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.387636 (E_RNA)
where:
Base-Base interactions energy: -15.645
where: short stacking energy: -15.645
Base-Backbone interact. energy: -0.000
local terms energy: -20.742796
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.419
flat angles P-C4'-P energy: -1.808
tors. eta vs tors. theta energy: -5.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -33.588172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.588172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.588172 (E_RNA)
where:
Base-Base interactions energy: -14.435
where: short stacking energy: -14.435
Base-Backbone interact. energy: -0.000
local terms energy: -19.153348
where:
bonds (distance) C4'-P energy: -3.789
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.993
flat angles P-C4'-P energy: -1.939
tors. eta vs tors. theta energy: -4.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -33.552647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.552647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.552647 (E_RNA)
where:
Base-Base interactions energy: -13.744
where: short stacking energy: -13.744
Base-Backbone interact. energy: -0.000
local terms energy: -19.808677
where:
bonds (distance) C4'-P energy: -2.875
bonds (distance) P-C4' energy: -3.984
flat angles C4'-P-C4' energy: -4.731
flat angles P-C4'-P energy: -3.293
tors. eta vs tors. theta energy: -4.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -31.905859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.905859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.905859 (E_RNA)
where:
Base-Base interactions energy: -12.445
where: short stacking energy: -12.445
Base-Backbone interact. energy: -0.000
local terms energy: -19.460446
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -4.767
flat angles P-C4'-P energy: -3.381
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: 5, replica: 10
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -31.008062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.008062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.008062 (E_RNA)
where:
Base-Base interactions energy: -14.221
where: short stacking energy: -14.221
Base-Backbone interact. energy: -0.000
local terms energy: -16.786575
where:
bonds (distance) C4'-P energy: -1.782
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -4.207
flat angles P-C4'-P energy: -2.872
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: 6, replica: 2
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -25.499787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.499787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.499787 (E_RNA)
where:
Base-Base interactions energy: -8.640
where: short stacking energy: -8.640
Base-Backbone interact. energy: -0.001
local terms energy: -16.858717
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.131
flat angles P-C4'-P energy: -1.877
tors. eta vs tors. theta energy: -1.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -23.754513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.754513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.754513 (E_RNA)
where:
Base-Base interactions energy: -9.475
where: short stacking energy: -9.475
Base-Backbone interact. energy: -0.100
local terms energy: -14.179476
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -4.343
flat angles C4'-P-C4' energy: -3.339
flat angles P-C4'-P energy: -2.343
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: 8, replica: 5
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -25.539043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.539043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.539043 (E_RNA)
where:
Base-Base interactions energy: -11.449
where: short stacking energy: -11.449
Base-Backbone interact. energy: -0.000
local terms energy: -14.089967
where:
bonds (distance) C4'-P energy: -3.442
bonds (distance) P-C4' energy: -2.413
flat angles C4'-P-C4' energy: -4.275
flat angles P-C4'-P energy: -1.001
tors. eta vs tors. theta energy: -2.959
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: 8
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -23.449422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.449422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.449422 (E_RNA)
where:
Base-Base interactions energy: -8.265
where: short stacking energy: -8.265
Base-Backbone interact. energy: -0.000
local terms energy: -15.183656
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -2.686
flat angles P-C4'-P energy: -1.189
tors. eta vs tors. theta energy: -1.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -28.768807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.768807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.768807 (E_RNA)
where:
Base-Base interactions energy: -11.575
where: short stacking energy: -11.575
Base-Backbone interact. energy: -0.000
local terms energy: -17.193557
where:
bonds (distance) C4'-P energy: -3.268
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.104
flat angles P-C4'-P energy: -3.146
tors. eta vs tors. theta energy: -1.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -38.340395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.340395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.340395 (E_RNA)
where:
Base-Base interactions energy: -17.591
where: short stacking energy: -17.591
Base-Backbone interact. energy: -0.000
local terms energy: -20.749666
where:
bonds (distance) C4'-P energy: -3.691
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -3.425
flat angles P-C4'-P energy: -3.423
tors. eta vs tors. theta energy: -4.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -27.837474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.837474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.837474 (E_RNA)
where:
Base-Base interactions energy: -11.829
where: short stacking energy: -11.829
Base-Backbone interact. energy: -0.001
local terms energy: -16.008243
where:
bonds (distance) C4'-P energy: -2.295
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -4.487
flat angles P-C4'-P energy: -2.359
tors. eta vs tors. theta energy: -2.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -27.117929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.117929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.117929 (E_RNA)
where:
Base-Base interactions energy: -11.424
where: short stacking energy: -11.424
Base-Backbone interact. energy: -0.000
local terms energy: -15.693575
where:
bonds (distance) C4'-P energy: -3.566
bonds (distance) P-C4' energy: -4.044
flat angles C4'-P-C4' energy: -2.864
flat angles P-C4'-P energy: -3.586
tors. eta vs tors. theta energy: -1.634
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: 3
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -32.583849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.583849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.583849 (E_RNA)
where:
Base-Base interactions energy: -12.932
where: short stacking energy: -12.932
Base-Backbone interact. energy: -0.000
local terms energy: -19.651601
where:
bonds (distance) C4'-P energy: -3.861
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -3.819
flat angles P-C4'-P energy: -2.965
tors. eta vs tors. theta energy: -4.568
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: 10
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -32.735407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.735407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.735407 (E_RNA)
where:
Base-Base interactions energy: -15.130
where: short stacking energy: -15.130
Base-Backbone interact. energy: -0.000
local terms energy: -17.605554
where:
bonds (distance) C4'-P energy: -1.472
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -3.873
flat angles P-C4'-P energy: -3.211
tors. eta vs tors. theta energy: -4.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -29.752486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.752486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.752486 (E_RNA)
where:
Base-Base interactions energy: -11.459
where: short stacking energy: -11.459
Base-Backbone interact. energy: -0.000
local terms energy: -18.293250
where:
bonds (distance) C4'-P energy: -4.038
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -2.807
flat angles P-C4'-P energy: -1.525
tors. eta vs tors. theta energy: -5.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -27.305256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.305256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.305256 (E_RNA)
where:
Base-Base interactions energy: -10.412
where: short stacking energy: -10.412
Base-Backbone interact. energy: -0.000
local terms energy: -16.893241
where:
bonds (distance) C4'-P energy: -4.055
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -2.848
flat angles P-C4'-P energy: -2.553
tors. eta vs tors. theta energy: -3.007
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: 1
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -30.093850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.093850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.093850 (E_RNA)
where:
Base-Base interactions energy: -12.323
where: short stacking energy: -12.323
Base-Backbone interact. energy: -0.000
local terms energy: -17.770703
where:
bonds (distance) C4'-P energy: -2.316
bonds (distance) P-C4' energy: -3.557
flat angles C4'-P-C4' energy: -4.202
flat angles P-C4'-P energy: -3.027
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: 9
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -24.529906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.529906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.529906 (E_RNA)
where:
Base-Base interactions energy: -9.008
where: short stacking energy: -9.008
Base-Backbone interact. energy: -0.003
local terms energy: -15.519457
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.653
flat angles C4'-P-C4' energy: -3.551
flat angles P-C4'-P energy: -2.941
tors. eta vs tors. theta energy: 0.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -22.958942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.958942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.958942 (E_RNA)
where:
Base-Base interactions energy: -7.835
where: short stacking energy: -7.835
Base-Backbone interact. energy: -0.000
local terms energy: -15.123875
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -4.174
flat angles C4'-P-C4' energy: -3.680
flat angles P-C4'-P energy: -3.291
tors. eta vs tors. theta energy: 0.299
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: 7
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -32.589264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.589264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.589264 (E_RNA)
where:
Base-Base interactions energy: -13.755
where: short stacking energy: -13.755
Base-Backbone interact. energy: -0.000
local terms energy: -18.834391
where:
bonds (distance) C4'-P energy: -3.198
bonds (distance) P-C4' energy: -4.406
flat angles C4'-P-C4' energy: -3.095
flat angles P-C4'-P energy: -3.290
tors. eta vs tors. theta energy: -4.845
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: 4
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -33.934077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.934077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.934077 (E_RNA)
where:
Base-Base interactions energy: -13.787
where: short stacking energy: -13.787
Base-Backbone interact. energy: -0.000
local terms energy: -20.146961
where:
bonds (distance) C4'-P energy: -4.009
bonds (distance) P-C4' energy: -4.867
flat angles C4'-P-C4' energy: -4.683
flat angles P-C4'-P energy: -3.212
tors. eta vs tors. theta energy: -3.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -25.189883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.189883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.189883 (E_RNA)
where:
Base-Base interactions energy: -9.819
where: short stacking energy: -9.819
Base-Backbone interact. energy: -0.000
local terms energy: -15.370140
where:
bonds (distance) C4'-P energy: -2.262
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.807
flat angles P-C4'-P energy: -3.824
tors. eta vs tors. theta energy: -0.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -30.249551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.249551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.249551 (E_RNA)
where:
Base-Base interactions energy: -12.690
where: short stacking energy: -12.690
Base-Backbone interact. energy: -0.000
local terms energy: -17.559102
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.766
flat angles P-C4'-P energy: -2.675
tors. eta vs tors. theta energy: -1.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -33.647489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.647489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.647489 (E_RNA)
where:
Base-Base interactions energy: -15.185
where: short stacking energy: -15.185
Base-Backbone interact. energy: -0.000
local terms energy: -18.462128
where:
bonds (distance) C4'-P energy: -3.861
bonds (distance) P-C4' energy: -4.177
flat angles C4'-P-C4' energy: -4.472
flat angles P-C4'-P energy: -1.619
tors. eta vs tors. theta energy: -4.334
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: 6, replica: 5
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -26.799482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.799482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.799482 (E_RNA)
where:
Base-Base interactions energy: -10.582
where: short stacking energy: -10.582
Base-Backbone interact. energy: -0.000
local terms energy: -16.217876
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -3.406
flat angles P-C4'-P energy: -1.868
tors. eta vs tors. theta energy: -1.176
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: 2
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -29.140119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.140119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.140119 (E_RNA)
where:
Base-Base interactions energy: -13.063
where: short stacking energy: -13.063
Base-Backbone interact. energy: 0.143
local terms energy: -16.219571
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -1.826
flat angles P-C4'-P energy: -2.469
tors. eta vs tors. theta energy: -2.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -23.307944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.307944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.307944 (E_RNA)
where:
Base-Base interactions energy: -9.510
where: short stacking energy: -9.510
Base-Backbone interact. energy: -0.000
local terms energy: -13.797535
where:
bonds (distance) C4'-P energy: -3.645
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -1.589
flat angles P-C4'-P energy: -3.411
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: 9, replica: 1
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -24.665738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.665738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.665738 (E_RNA)
where:
Base-Base interactions energy: -10.516
where: short stacking energy: -9.503
Base-Backbone interact. energy: -0.010
local terms energy: -14.139613
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -4.656
flat angles C4'-P-C4' energy: -4.134
flat angles P-C4'-P energy: -1.284
tors. eta vs tors. theta energy: -0.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -24.200706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.200706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.200706 (E_RNA)
where:
Base-Base interactions energy: -8.153
where: short stacking energy: -8.153
Base-Backbone interact. energy: -0.000
local terms energy: -16.047710
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.416
flat angles P-C4'-P energy: -2.610
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: 1, replica: 7
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -37.227183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.227183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.227183 (E_RNA)
where:
Base-Base interactions energy: -16.883
where: short stacking energy: -16.883
Base-Backbone interact. energy: -0.000
local terms energy: -20.343786
where:
bonds (distance) C4'-P energy: -2.892
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -4.820
flat angles P-C4'-P energy: -2.019
tors. eta vs tors. theta energy: -5.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -39.507383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.507383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.507383 (E_RNA)
where:
Base-Base interactions energy: -17.826
where: short stacking energy: -17.826
Base-Backbone interact. energy: -0.000
local terms energy: -21.681431
where:
bonds (distance) C4'-P energy: -3.335
bonds (distance) P-C4' energy: -4.839
flat angles C4'-P-C4' energy: -4.694
flat angles P-C4'-P energy: -3.813
tors. eta vs tors. theta energy: -5.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -28.296601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.296601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.296601 (E_RNA)
where:
Base-Base interactions energy: -8.099
where: short stacking energy: -8.099
Base-Backbone interact. energy: -0.000
local terms energy: -20.197968
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.721
flat angles P-C4'-P energy: -3.254
tors. eta vs tors. theta energy: -2.883
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: 4, replica: 6
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -31.503520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.503520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.503520 (E_RNA)
where:
Base-Base interactions energy: -13.833
where: short stacking energy: -13.833
Base-Backbone interact. energy: -0.000
local terms energy: -17.670207
where:
bonds (distance) C4'-P energy: -4.634
bonds (distance) P-C4' energy: -3.631
flat angles C4'-P-C4' energy: -2.775
flat angles P-C4'-P energy: -3.862
tors. eta vs tors. theta energy: -2.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -28.902681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.902681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.902681 (E_RNA)
where:
Base-Base interactions energy: -12.898
where: short stacking energy: -12.898
Base-Backbone interact. energy: -0.000
local terms energy: -16.005089
where:
bonds (distance) C4'-P energy: -3.753
bonds (distance) P-C4' energy: -3.103
flat angles C4'-P-C4' energy: -3.815
flat angles P-C4'-P energy: -2.400
tors. eta vs tors. theta energy: -2.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -29.807568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.807568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.807568 (E_RNA)
where:
Base-Base interactions energy: -13.564
where: short stacking energy: -13.564
Base-Backbone interact. energy: -0.000
local terms energy: -16.243421
where:
bonds (distance) C4'-P energy: -3.939
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -2.554
flat angles P-C4'-P energy: -1.163
tors. eta vs tors. theta energy: -3.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -24.728198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.728198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.728198 (E_RNA)
where:
Base-Base interactions energy: -8.852
where: short stacking energy: -8.852
Base-Backbone interact. energy: -0.056
local terms energy: -15.820228
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.339
flat angles C4'-P-C4' energy: -4.119
flat angles P-C4'-P energy: -3.045
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: 8, replica: 2
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -23.659159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.659159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.659159 (E_RNA)
where:
Base-Base interactions energy: -10.303
where: short stacking energy: -10.303
Base-Backbone interact. energy: -0.000
local terms energy: -13.356388
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -1.223
flat angles P-C4'-P energy: -1.993
tors. eta vs tors. theta energy: -0.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -30.969476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.969476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.969476 (E_RNA)
where:
Base-Base interactions energy: -10.906
where: short stacking energy: -10.906
Base-Backbone interact. energy: -0.000
local terms energy: -20.063312
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -3.744
flat angles P-C4'-P energy: -3.569
tors. eta vs tors. theta energy: -4.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -22.976349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.976349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.976349 (E_RNA)
where:
Base-Base interactions energy: -6.568
where: short stacking energy: -6.568
Base-Backbone interact. energy: -0.000
local terms energy: -16.408309
where:
bonds (distance) C4'-P energy: -3.363
bonds (distance) P-C4' energy: -4.406
flat angles C4'-P-C4' energy: -2.300
flat angles P-C4'-P energy: -2.400
tors. eta vs tors. theta energy: -3.939
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: 7
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -36.136381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.136381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.136381 (E_RNA)
where:
Base-Base interactions energy: -16.491
where: short stacking energy: -16.491
Base-Backbone interact. energy: -0.000
local terms energy: -19.645064
where:
bonds (distance) C4'-P energy: -3.815
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -4.752
flat angles P-C4'-P energy: -3.623
tors. eta vs tors. theta energy: -3.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -36.537653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.537653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.537653 (E_RNA)
where:
Base-Base interactions energy: -16.479
where: short stacking energy: -16.479
Base-Backbone interact. energy: -0.000
local terms energy: -20.058758
where:
bonds (distance) C4'-P energy: -4.038
bonds (distance) P-C4' energy: -4.653
flat angles C4'-P-C4' energy: -3.601
flat angles P-C4'-P energy: -3.729
tors. eta vs tors. theta energy: -4.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -34.509602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.509602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.509602 (E_RNA)
where:
Base-Base interactions energy: -15.202
where: short stacking energy: -15.202
Base-Backbone interact. energy: -0.000
local terms energy: -19.307883
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -3.944
flat angles C4'-P-C4' energy: -4.367
flat angles P-C4'-P energy: -2.903
tors. eta vs tors. theta energy: -3.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -30.532312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.532312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.532312 (E_RNA)
where:
Base-Base interactions energy: -11.139
where: short stacking energy: -11.139
Base-Backbone interact. energy: -0.000
local terms energy: -19.393578
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -3.638
flat angles P-C4'-P energy: -1.775
tors. eta vs tors. theta energy: -5.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -29.577401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.577401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.577401 (E_RNA)
where:
Base-Base interactions energy: -10.086
where: short stacking energy: -10.086
Base-Backbone interact. energy: -0.001
local terms energy: -19.490309
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.905
flat angles P-C4'-P energy: -1.573
tors. eta vs tors. theta energy: -3.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -23.335887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.335887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.335887 (E_RNA)
where:
Base-Base interactions energy: -6.802
where: short stacking energy: -6.802
Base-Backbone interact. energy: -0.000
local terms energy: -16.534154
where:
bonds (distance) C4'-P energy: -2.432
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -3.946
flat angles P-C4'-P energy: -2.362
tors. eta vs tors. theta energy: -2.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -29.609876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.609876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.609876 (E_RNA)
where:
Base-Base interactions energy: -13.790
where: short stacking energy: -6.329
Base-Backbone interact. energy: -0.017
local terms energy: -15.802982
where:
bonds (distance) C4'-P energy: -2.075
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -4.521
flat angles P-C4'-P energy: -3.506
tors. eta vs tors. theta energy: -0.844
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: 8
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -28.533671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.533671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.533671 (E_RNA)
where:
Base-Base interactions energy: -12.463
where: short stacking energy: -12.463
Base-Backbone interact. energy: -0.000
local terms energy: -16.070408
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -3.251
flat angles P-C4'-P energy: -1.233
tors. eta vs tors. theta energy: -2.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -28.215102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.215102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.215102 (E_RNA)
where:
Base-Base interactions energy: -12.226
where: short stacking energy: -12.226
Base-Backbone interact. energy: -0.000
local terms energy: -15.988847
where:
bonds (distance) C4'-P energy: -3.505
bonds (distance) P-C4' energy: -4.624
flat angles C4'-P-C4' energy: -3.710
flat angles P-C4'-P energy: -2.589
tors. eta vs tors. theta energy: -1.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -27.553620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.553620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.553620 (E_RNA)
where:
Base-Base interactions energy: -12.642
where: short stacking energy: -12.642
Base-Backbone interact. energy: -0.000
local terms energy: -14.910977
where:
bonds (distance) C4'-P energy: 0.615
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.743
flat angles P-C4'-P energy: -3.417
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: 1, replica: 4
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -37.135425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.135425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.135425 (E_RNA)
where:
Base-Base interactions energy: -17.307
where: short stacking energy: -17.307
Base-Backbone interact. energy: -0.000
local terms energy: -19.828596
where:
bonds (distance) C4'-P energy: -3.691
bonds (distance) P-C4' energy: -4.209
flat angles C4'-P-C4' energy: -4.009
flat angles P-C4'-P energy: -3.306
tors. eta vs tors. theta energy: -4.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -31.430353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.430353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.430353 (E_RNA)
where:
Base-Base interactions energy: -11.916
where: short stacking energy: -11.916
Base-Backbone interact. energy: -0.000
local terms energy: -19.514277
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -3.862
flat angles P-C4'-P energy: -3.685
tors. eta vs tors. theta energy: -3.425
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: 10
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -30.386681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.386681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.386681 (E_RNA)
where:
Base-Base interactions energy: -12.584
where: short stacking energy: -12.584
Base-Backbone interact. energy: -0.008
local terms energy: -17.794385
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.205
flat angles C4'-P-C4' energy: -3.985
flat angles P-C4'-P energy: -3.296
tors. eta vs tors. theta energy: -2.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -32.105288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.105288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.105288 (E_RNA)
where:
Base-Base interactions energy: -12.741
where: short stacking energy: -12.741
Base-Backbone interact. energy: -0.000
local terms energy: -19.364679
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.505
flat angles P-C4'-P energy: -3.248
tors. eta vs tors. theta energy: -2.503
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: 9
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -30.132700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.132700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.132700 (E_RNA)
where:
Base-Base interactions energy: -10.727
where: short stacking energy: -10.727
Base-Backbone interact. energy: -0.000
local terms energy: -19.405626
where:
bonds (distance) C4'-P energy: -3.583
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -4.539
flat angles P-C4'-P energy: -3.835
tors. eta vs tors. theta energy: -2.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -24.556052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.556052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.556052 (E_RNA)
where:
Base-Base interactions energy: -7.787
where: short stacking energy: -7.787
Base-Backbone interact. energy: -0.000
local terms energy: -16.768610
where:
bonds (distance) C4'-P energy: -2.892
bonds (distance) P-C4' energy: -3.324
flat angles C4'-P-C4' energy: -4.279
flat angles P-C4'-P energy: -3.843
tors. eta vs tors. theta energy: -2.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -27.318643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.318643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.318643 (E_RNA)
where:
Base-Base interactions energy: -9.149
where: short stacking energy: -5.067
Base-Backbone interact. energy: -0.059
local terms energy: -18.110796
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.609
flat angles P-C4'-P energy: -1.988
tors. eta vs tors. theta energy: -2.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -30.791047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.791047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.791047 (E_RNA)
where:
Base-Base interactions energy: -13.085
where: short stacking energy: -13.085
Base-Backbone interact. energy: -0.000
local terms energy: -17.705578
where:
bonds (distance) C4'-P energy: -3.247
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.483
flat angles P-C4'-P energy: -1.911
tors. eta vs tors. theta energy: -2.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -24.263040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.263040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.263040 (E_RNA)
where:
Base-Base interactions energy: -9.353
where: short stacking energy: -9.353
Base-Backbone interact. energy: -0.000
local terms energy: -14.909379
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -1.203
flat angles P-C4'-P energy: -2.852
tors. eta vs tors. theta energy: -1.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -36.061600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.061600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.061600 (E_RNA)
where:
Base-Base interactions energy: -16.620
where: short stacking energy: -16.620
Base-Backbone interact. energy: -0.000
local terms energy: -19.441717
where:
bonds (distance) C4'-P energy: -3.753
bonds (distance) P-C4' energy: -3.981
flat angles C4'-P-C4' energy: -3.220
flat angles P-C4'-P energy: -3.141
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: 1, replica: 4
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -39.266012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.266012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.266012 (E_RNA)
where:
Base-Base interactions energy: -18.101
where: short stacking energy: -18.101
Base-Backbone interact. energy: -0.000
local terms energy: -21.165461
where:
bonds (distance) C4'-P energy: -3.008
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.218
flat angles P-C4'-P energy: -3.255
tors. eta vs tors. theta energy: -5.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -32.138047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.138047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.138047 (E_RNA)
where:
Base-Base interactions energy: -11.970
where: short stacking energy: -11.970
Base-Backbone interact. energy: -0.000
local terms energy: -20.168132
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.027
flat angles P-C4'-P energy: -2.489
tors. eta vs tors. theta energy: -3.887
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: 7
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -27.995194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.995194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.995194 (E_RNA)
where:
Base-Base interactions energy: -8.868
where: short stacking energy: -8.868
Base-Backbone interact. energy: -0.000
local terms energy: -19.127562
where:
bonds (distance) C4'-P energy: -4.303
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -3.461
flat angles P-C4'-P energy: -4.049
tors. eta vs tors. theta energy: -2.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -33.296483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.296483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.296483 (E_RNA)
where:
Base-Base interactions energy: -13.216
where: short stacking energy: -13.216
Base-Backbone interact. energy: -0.000
local terms energy: -20.080408
where:
bonds (distance) C4'-P energy: -4.154
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -4.633
flat angles P-C4'-P energy: -2.440
tors. eta vs tors. theta energy: -3.728
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: 137
Temperature: 1.100000
Total energy: -27.613416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.613416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.613416 (E_RNA)
where:
Base-Base interactions energy: -8.501
where: short stacking energy: -8.501
Base-Backbone interact. energy: -0.000
local terms energy: -19.112386
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -4.498
flat angles P-C4'-P energy: -2.023
tors. eta vs tors. theta energy: -2.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -31.184573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.184573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.184573 (E_RNA)
where:
Base-Base interactions energy: -12.354
where: short stacking energy: -12.354
Base-Backbone interact. energy: -0.000
local terms energy: -18.830797
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.629
flat angles P-C4'-P energy: -2.640
tors. eta vs tors. theta energy: -2.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -30.920958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.920958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.920958 (E_RNA)
where:
Base-Base interactions energy: -13.586
where: short stacking energy: -13.586
Base-Backbone interact. energy: -0.000
local terms energy: -17.334711
where:
bonds (distance) C4'-P energy: -3.558
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -2.400
flat angles P-C4'-P energy: -1.924
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: 8, replica: 1
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -23.988326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.988326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.988326 (E_RNA)
where:
Base-Base interactions energy: -8.530
where: short stacking energy: -8.530
Base-Backbone interact. energy: -0.000
local terms energy: -15.458229
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.080
flat angles P-C4'-P energy: -1.414
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: 9, replica: 3
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -25.276232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.276232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.276232 (E_RNA)
where:
Base-Base interactions energy: -9.206
where: short stacking energy: -9.206
Base-Backbone interact. energy: -0.009
local terms energy: -16.061368
where:
bonds (distance) C4'-P energy: -3.344
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.290
flat angles P-C4'-P energy: -2.607
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: 10, replica: 2
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -26.116043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.116043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.116043 (E_RNA)
where:
Base-Base interactions energy: -9.321
where: short stacking energy: -9.321
Base-Backbone interact. energy: -0.000
local terms energy: -16.794609
where:
bonds (distance) C4'-P energy: -2.680
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.717
flat angles P-C4'-P energy: -3.570
tors. eta vs tors. theta energy: -0.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -33.311311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.311311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.311311 (E_RNA)
where:
Base-Base interactions energy: -12.975
where: short stacking energy: -12.975
Base-Backbone interact. energy: -0.000
local terms energy: -20.336295
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.369
flat angles P-C4'-P energy: -3.170
tors. eta vs tors. theta energy: -3.399
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: 4
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -34.321610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.321610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.321610 (E_RNA)
where:
Base-Base interactions energy: -15.192
where: short stacking energy: -15.192
Base-Backbone interact. energy: -0.000
local terms energy: -19.130014
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -4.466
flat angles P-C4'-P energy: -2.531
tors. eta vs tors. theta energy: -3.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -33.009766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.009766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.009766 (E_RNA)
where:
Base-Base interactions energy: -12.541
where: short stacking energy: -12.541
Base-Backbone interact. energy: -0.000
local terms energy: -20.468460
where:
bonds (distance) C4'-P energy: -4.332
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -2.631
flat angles P-C4'-P energy: -2.993
tors. eta vs tors. theta energy: -5.161
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: 7
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -32.667163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.667163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.667163 (E_RNA)
where:
Base-Base interactions energy: -14.425
where: short stacking energy: -14.425
Base-Backbone interact. energy: -0.000
local terms energy: -18.242476
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -3.830
flat angles P-C4'-P energy: -2.989
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: 5, replica: 8
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -25.019137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.019137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.019137 (E_RNA)
where:
Base-Base interactions energy: -7.883
where: short stacking energy: -7.558
Base-Backbone interact. energy: -0.003
local terms energy: -17.132480
where:
bonds (distance) C4'-P energy: -3.045
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -2.927
flat angles P-C4'-P energy: -2.809
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: 6, replica: 5
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -27.858939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.858939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.858939 (E_RNA)
where:
Base-Base interactions energy: -11.407
where: short stacking energy: -11.407
Base-Backbone interact. energy: -0.000
local terms energy: -16.451700
where:
bonds (distance) C4'-P energy: -4.303
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -2.737
flat angles P-C4'-P energy: -1.831
tors. eta vs tors. theta energy: -2.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -28.426847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.426847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.426847 (E_RNA)
where:
Base-Base interactions energy: -12.464
where: short stacking energy: -12.464
Base-Backbone interact. energy: -0.000
local terms energy: -15.963038
where:
bonds (distance) C4'-P energy: -3.558
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.258
flat angles P-C4'-P energy: -3.362
tors. eta vs tors. theta energy: -1.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -28.142531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.142531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.142531 (E_RNA)
where:
Base-Base interactions energy: -11.859
where: short stacking energy: -11.859
Base-Backbone interact. energy: -0.000
local terms energy: -16.283691
where:
bonds (distance) C4'-P energy: -3.637
bonds (distance) P-C4' energy: -3.818
flat angles C4'-P-C4' energy: -3.539
flat angles P-C4'-P energy: -2.109
tors. eta vs tors. theta energy: -3.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -27.066668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.066668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.066668 (E_RNA)
where:
Base-Base interactions energy: -14.133
where: short stacking energy: -14.133
Base-Backbone interact. energy: -0.000
local terms energy: -12.933466
where:
bonds (distance) C4'-P energy: -2.511
bonds (distance) P-C4' energy: -3.885
flat angles C4'-P-C4' energy: -2.443
flat angles P-C4'-P energy: -1.649
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: 10, replica: 3
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -24.134705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.134705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.134705 (E_RNA)
where:
Base-Base interactions energy: -8.379
where: short stacking energy: -8.379
Base-Backbone interact. energy: -0.000
local terms energy: -15.755792
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -3.909
flat angles P-C4'-P energy: -1.390
tors. eta vs tors. theta energy: -1.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -33.244065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.244065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.244065 (E_RNA)
where:
Base-Base interactions energy: -13.240
where: short stacking energy: -13.240
Base-Backbone interact. energy: -0.000
local terms energy: -20.003956
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -3.907
flat angles P-C4'-P energy: -2.858
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: 2, replica: 9
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -33.627437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.627437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.627437 (E_RNA)
where:
Base-Base interactions energy: -12.962
where: short stacking energy: -12.962
Base-Backbone interact. energy: -0.000
local terms energy: -20.665199
where:
bonds (distance) C4'-P energy: -4.750
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -4.341
flat angles P-C4'-P energy: -3.800
tors. eta vs tors. theta energy: -3.343
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: 4
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -30.973246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.973246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.973246 (E_RNA)
where:
Base-Base interactions energy: -13.371
where: short stacking energy: -13.371
Base-Backbone interact. energy: -0.001
local terms energy: -17.601302
where:
bonds (distance) C4'-P energy: -2.068
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -3.728
flat angles P-C4'-P energy: -3.616
tors. eta vs tors. theta energy: -3.329
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: 8
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -32.616572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.616572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.616572 (E_RNA)
where:
Base-Base interactions energy: -12.964
where: short stacking energy: -12.964
Base-Backbone interact. energy: -0.000
local terms energy: -19.652701
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.345
flat angles C4'-P-C4' energy: -3.026
flat angles P-C4'-P energy: -3.137
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: 5, replica: 7
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -29.265230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.265230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.265230 (E_RNA)
where:
Base-Base interactions energy: -11.958
where: short stacking energy: -11.958
Base-Backbone interact. energy: -0.000
local terms energy: -17.307217
where:
bonds (distance) C4'-P energy: -3.541
bonds (distance) P-C4' energy: -3.082
flat angles C4'-P-C4' energy: -3.955
flat angles P-C4'-P energy: -2.016
tors. eta vs tors. theta energy: -4.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -29.373252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.373252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.373252 (E_RNA)
where:
Base-Base interactions energy: -15.646
where: short stacking energy: -8.114
Base-Backbone interact. energy: -0.001
local terms energy: -13.726509
where:
bonds (distance) C4'-P energy: -4.341
bonds (distance) P-C4' energy: -1.178
flat angles C4'-P-C4' energy: -3.908
flat angles P-C4'-P energy: -2.065
tors. eta vs tors. theta energy: -2.235
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: 5
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -26.173487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.173487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.173487 (E_RNA)
where:
Base-Base interactions energy: -8.291
where: short stacking energy: -8.291
Base-Backbone interact. energy: -0.000
local terms energy: -17.882681
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.410
flat angles C4'-P-C4' energy: -3.680
flat angles P-C4'-P energy: -1.516
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: 8, replica: 2
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -30.426960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.426960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.426960 (E_RNA)
where:
Base-Base interactions energy: -13.282
where: short stacking energy: -13.282
Base-Backbone interact. energy: -0.000
local terms energy: -17.144865
where:
bonds (distance) C4'-P energy: -2.867
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.188
flat angles P-C4'-P energy: -1.738
tors. eta vs tors. theta energy: -3.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -29.836626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.836626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.836626 (E_RNA)
where:
Base-Base interactions energy: -14.063
where: short stacking energy: -14.063
Base-Backbone interact. energy: -0.000
local terms energy: -15.773153
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.581
flat angles C4'-P-C4' energy: -4.549
flat angles P-C4'-P energy: -1.287
tors. eta vs tors. theta energy: -0.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -23.650710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.650710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.650710 (E_RNA)
where:
Base-Base interactions energy: -6.052
where: short stacking energy: -6.052
Base-Backbone interact. energy: -0.001
local terms energy: -17.597878
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -2.825
flat angles P-C4'-P energy: -3.001
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: 9
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -39.334053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.334053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.334053 (E_RNA)
where:
Base-Base interactions energy: -18.630
where: short stacking energy: -18.630
Base-Backbone interact. energy: -0.000
local terms energy: -20.704107
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -4.203
flat angles P-C4'-P energy: -3.303
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: 2, replica: 10
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -37.320128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.320128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.320128 (E_RNA)
where:
Base-Base interactions energy: -17.018
where: short stacking energy: -17.018
Base-Backbone interact. energy: -0.000
local terms energy: -20.302573
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.811
flat angles P-C4'-P energy: -3.234
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: 3, replica: 8
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -33.133965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.133965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.133965 (E_RNA)
where:
Base-Base interactions energy: -12.690
where: short stacking energy: -12.473
Base-Backbone interact. energy: -0.007
local terms energy: -20.436307
where:
bonds (distance) C4'-P energy: -3.637
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.538
flat angles P-C4'-P energy: -3.567
tors. eta vs tors. theta energy: -3.343
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: 4
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -29.456168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.456168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.456168 (E_RNA)
where:
Base-Base interactions energy: -13.408
where: short stacking energy: -13.408
Base-Backbone interact. energy: -0.000
local terms energy: -16.047684
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -2.723
flat angles C4'-P-C4' energy: -3.941
flat angles P-C4'-P energy: -3.697
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: 5, replica: 1
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -33.145150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.145150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.145150 (E_RNA)
where:
Base-Base interactions energy: -13.953
where: short stacking energy: -13.953
Base-Backbone interact. energy: -0.000
local terms energy: -19.192611
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -3.724
flat angles P-C4'-P energy: -3.836
tors. eta vs tors. theta energy: -2.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -28.668248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.668248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.668248 (E_RNA)
where:
Base-Base interactions energy: -13.862
where: short stacking energy: -9.118
Base-Backbone interact. energy: -0.008
local terms energy: -14.798962
where:
bonds (distance) C4'-P energy: -4.341
bonds (distance) P-C4' energy: -3.560
flat angles C4'-P-C4' energy: -0.921
flat angles P-C4'-P energy: -3.233
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: 7, replica: 2
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -28.442771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.442771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.442771 (E_RNA)
where:
Base-Base interactions energy: -12.076
where: short stacking energy: -12.076
Base-Backbone interact. energy: -0.000
local terms energy: -16.367255
where:
bonds (distance) C4'-P energy: -1.707
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -3.957
flat angles P-C4'-P energy: -3.166
tors. eta vs tors. theta energy: -3.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -24.067002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.067002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.067002 (E_RNA)
where:
Base-Base interactions energy: -9.570
where: short stacking energy: -7.196
Base-Backbone interact. energy: -0.087
local terms energy: -14.410009
where:
bonds (distance) C4'-P energy: -3.124
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -2.891
flat angles P-C4'-P energy: -2.273
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: 9, replica: 3
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -24.589368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.589368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.589368 (E_RNA)
where:
Base-Base interactions energy: -8.269
where: short stacking energy: -8.269
Base-Backbone interact. energy: -0.000
local terms energy: -16.320575
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.746
flat angles P-C4'-P energy: -1.819
tors. eta vs tors. theta energy: -0.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -25.613575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.613575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.613575 (E_RNA)
where:
Base-Base interactions energy: -10.722
where: short stacking energy: -10.722
Base-Backbone interact. energy: -0.000
local terms energy: -14.891625
where:
bonds (distance) C4'-P energy: -2.854
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -3.484
flat angles P-C4'-P energy: -3.502
tors. eta vs tors. theta energy: -0.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -33.409120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.409120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.409120 (E_RNA)
where:
Base-Base interactions energy: -13.649
where: short stacking energy: -13.649
Base-Backbone interact. energy: -0.000
local terms energy: -19.760192
where:
bonds (distance) C4'-P energy: -3.939
bonds (distance) P-C4' energy: -3.969
flat angles C4'-P-C4' energy: -3.640
flat angles P-C4'-P energy: -3.751
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: 2, replica: 8
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -36.478239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.478239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.478239 (E_RNA)
where:
Base-Base interactions energy: -16.481
where: short stacking energy: -16.481
Base-Backbone interact. energy: -0.000
local terms energy: -19.996906
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -3.304
flat angles C4'-P-C4' energy: -3.481
flat angles P-C4'-P energy: -3.185
tors. eta vs tors. theta energy: -5.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -33.876519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.876519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.876519 (E_RNA)
where:
Base-Base interactions energy: -16.782
where: short stacking energy: -8.280
Base-Backbone interact. energy: -0.005
local terms energy: -17.089955
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.571
flat angles P-C4'-P energy: -3.403
tors. eta vs tors. theta energy: -1.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -27.522791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.522791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.522791 (E_RNA)
where:
Base-Base interactions energy: -12.093
where: short stacking energy: -12.093
Base-Backbone interact. energy: -0.000
local terms energy: -15.429651
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -4.336
flat angles C4'-P-C4' energy: -4.246
flat angles P-C4'-P energy: -1.238
tors. eta vs tors. theta energy: -1.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -30.238806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.238806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.238806 (E_RNA)
where:
Base-Base interactions energy: -13.629
where: short stacking energy: -13.629
Base-Backbone interact. energy: -0.000
local terms energy: -16.609432
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -3.811
flat angles C4'-P-C4' energy: -3.516
flat angles P-C4'-P energy: -3.510
tors. eta vs tors. theta energy: -1.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -32.405048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.405048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.405048 (E_RNA)
where:
Base-Base interactions energy: -16.336
where: short stacking energy: -9.043
Base-Backbone interact. energy: -0.006
local terms energy: -16.062832
where:
bonds (distance) C4'-P energy: -3.451
bonds (distance) P-C4' energy: -3.631
flat angles C4'-P-C4' energy: -3.217
flat angles P-C4'-P energy: -3.346
tors. eta vs tors. theta energy: -2.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -29.478594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.478594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.478594 (E_RNA)
where:
Base-Base interactions energy: -9.665
where: short stacking energy: -9.665
Base-Backbone interact. energy: -0.000
local terms energy: -19.813903
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -4.177
flat angles C4'-P-C4' energy: -4.434
flat angles P-C4'-P energy: -1.953
tors. eta vs tors. theta energy: -5.203
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: 3
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -34.234534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.234534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.234534 (E_RNA)
where:
Base-Base interactions energy: -15.007
where: short stacking energy: -15.007
Base-Backbone interact. energy: -0.000
local terms energy: -19.227535
where:
bonds (distance) C4'-P energy: -3.629
bonds (distance) P-C4' energy: -4.177
flat angles C4'-P-C4' energy: -4.364
flat angles P-C4'-P energy: -2.811
tors. eta vs tors. theta energy: -4.246
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: 9, replica: 5
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -26.705497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.705497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.705497 (E_RNA)
where:
Base-Base interactions energy: -12.534
where: short stacking energy: -12.534
Base-Backbone interact. energy: -0.000
local terms energy: -14.171788
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -3.726
flat angles C4'-P-C4' energy: -3.618
flat angles P-C4'-P energy: -1.636
tors. eta vs tors. theta energy: -1.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -26.433637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.433637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.433637 (E_RNA)
where:
Base-Base interactions energy: -10.065
where: short stacking energy: -10.065
Base-Backbone interact. energy: -0.000
local terms energy: -16.368229
where:
bonds (distance) C4'-P energy: -2.340
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -2.561
flat angles P-C4'-P energy: -3.001
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: 1, replica: 9
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -36.888797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.888797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.888797 (E_RNA)
where:
Base-Base interactions energy: -15.460
where: short stacking energy: -15.460
Base-Backbone interact. energy: -0.000
local terms energy: -21.428880
where:
bonds (distance) C4'-P energy: -4.742
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -4.065
flat angles P-C4'-P energy: -2.612
tors. eta vs tors. theta energy: -4.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -35.602995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.602995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.602995 (E_RNA)
where:
Base-Base interactions energy: -14.813
where: short stacking energy: -14.813
Base-Backbone interact. energy: -0.000
local terms energy: -20.789983
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -2.928
flat angles P-C4'-P energy: -3.359
tors. eta vs tors. theta energy: -4.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -36.768483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.768483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.768483 (E_RNA)
where:
Base-Base interactions energy: -16.659
where: short stacking energy: -16.659
Base-Backbone interact. energy: -0.000
local terms energy: -20.109774
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.202
flat angles C4'-P-C4' energy: -4.325
flat angles P-C4'-P energy: -3.236
tors. eta vs tors. theta energy: -3.829
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: 10
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -31.652150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.652150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.652150 (E_RNA)
where:
Base-Base interactions energy: -10.786
where: short stacking energy: -10.786
Base-Backbone interact. energy: -0.000
local terms energy: -20.866627
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -4.410
flat angles C4'-P-C4' energy: -4.752
flat angles P-C4'-P energy: -3.388
tors. eta vs tors. theta energy: -4.200
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: 2
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -30.075289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.075289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.075289 (E_RNA)
where:
Base-Base interactions energy: -10.485
where: short stacking energy: -10.485
Base-Backbone interact. energy: -0.000
local terms energy: -19.590339
where:
bonds (distance) C4'-P energy: -3.789
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.225
flat angles P-C4'-P energy: -2.612
tors. eta vs tors. theta energy: -3.849
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: 4
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -23.876584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.876584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.876584 (E_RNA)
where:
Base-Base interactions energy: -5.975
where: short stacking energy: -5.975
Base-Backbone interact. energy: -0.893
local terms energy: -17.008025
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -4.168
flat angles P-C4'-P energy: -3.003
tors. eta vs tors. theta energy: -1.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -36.037815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.037815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.037815 (E_RNA)
where:
Base-Base interactions energy: -15.880
where: short stacking energy: -15.880
Base-Backbone interact. energy: -0.000
local terms energy: -20.157608
where:
bonds (distance) C4'-P energy: -3.637
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -4.839
flat angles P-C4'-P energy: -2.056
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: 8, replica: 7
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -25.235027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.235027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.235027 (E_RNA)
where:
Base-Base interactions energy: -6.740
where: short stacking energy: -6.740
Base-Backbone interact. energy: -0.000
local terms energy: -18.494945
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -2.549
flat angles P-C4'-P energy: -3.057
tors. eta vs tors. theta energy: -3.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -26.779341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.779341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.779341 (E_RNA)
where:
Base-Base interactions energy: -10.116
where: short stacking energy: -10.116
Base-Backbone interact. energy: -0.000
local terms energy: -16.663586
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -3.128
flat angles C4'-P-C4' energy: -3.502
flat angles P-C4'-P energy: -2.839
tors. eta vs tors. theta energy: -3.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -27.933731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.933731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.933731 (E_RNA)
where:
Base-Base interactions energy: -9.660
where: short stacking energy: -9.660
Base-Backbone interact. energy: -0.000
local terms energy: -18.273888
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -3.786
flat angles C4'-P-C4' energy: -4.078
flat angles P-C4'-P energy: -3.059
tors. eta vs tors. theta energy: -3.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -37.487234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.487234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.487234 (E_RNA)
where:
Base-Base interactions energy: -17.303
where: short stacking energy: -17.303
Base-Backbone interact. energy: -0.000
local terms energy: -20.183774
where:
bonds (distance) C4'-P energy: -3.691
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.314
flat angles P-C4'-P energy: -3.186
tors. eta vs tors. theta energy: -4.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -33.251903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.251903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.251903 (E_RNA)
where:
Base-Base interactions energy: -13.479
where: short stacking energy: -13.479
Base-Backbone interact. energy: -0.000
local terms energy: -19.773150
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -4.578
flat angles P-C4'-P energy: -3.880
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: 3, replica: 8
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -35.846085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.846085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.846085 (E_RNA)
where:
Base-Base interactions energy: -15.805
where: short stacking energy: -15.805
Base-Backbone interact. energy: -0.000
local terms energy: -20.041428
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.631
flat angles C4'-P-C4' energy: -4.430
flat angles P-C4'-P energy: -3.126
tors. eta vs tors. theta energy: -3.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -28.385627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.385627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.385627 (E_RNA)
where:
Base-Base interactions energy: -12.243
where: short stacking energy: -7.974
Base-Backbone interact. energy: -0.000
local terms energy: -16.142282
where:
bonds (distance) C4'-P energy: -3.045
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.651
flat angles P-C4'-P energy: -3.022
tors. eta vs tors. theta energy: -1.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -27.139541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.139541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.139541 (E_RNA)
where:
Base-Base interactions energy: -8.197
where: short stacking energy: -8.197
Base-Backbone interact. energy: -0.000
local terms energy: -18.942112
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.637
flat angles P-C4'-P energy: -3.747
tors. eta vs tors. theta energy: -2.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -28.591451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.591451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.591451 (E_RNA)
where:
Base-Base interactions energy: -8.960
where: short stacking energy: -8.960
Base-Backbone interact. energy: -0.000
local terms energy: -19.631325
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -4.678
flat angles C4'-P-C4' energy: -3.596
flat angles P-C4'-P energy: -3.806
tors. eta vs tors. theta energy: -2.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -33.873910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.873910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.873910 (E_RNA)
where:
Base-Base interactions energy: -12.886
where: short stacking energy: -12.886
Base-Backbone interact. energy: -0.000
local terms energy: -20.987843
where:
bonds (distance) C4'-P energy: -3.939
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.136
flat angles P-C4'-P energy: -2.913
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: 8, replica: 6
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -26.087350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.087350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.087350 (E_RNA)
where:
Base-Base interactions energy: -11.062
where: short stacking energy: -11.062
Base-Backbone interact. energy: -0.003
local terms energy: -15.022903
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -3.578
flat angles C4'-P-C4' energy: -4.009
flat angles P-C4'-P energy: -2.188
tors. eta vs tors. theta energy: -1.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -29.750683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.750683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.750683 (E_RNA)
where:
Base-Base interactions energy: -14.805
where: short stacking energy: -6.513
Base-Backbone interact. energy: -0.004
local terms energy: -14.941614
where:
bonds (distance) C4'-P energy: -4.419
bonds (distance) P-C4' energy: -2.702
flat angles C4'-P-C4' energy: -2.923
flat angles P-C4'-P energy: -3.940
tors. eta vs tors. theta energy: -0.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -24.822911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.822911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.822911 (E_RNA)
where:
Base-Base interactions energy: -8.722
where: short stacking energy: -8.722
Base-Backbone interact. energy: -0.153
local terms energy: -15.948085
where:
bonds (distance) C4'-P energy: -3.699
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -1.628
flat angles P-C4'-P energy: -2.272
tors. eta vs tors. theta energy: -2.998
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: 1
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -39.638577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.638577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.638577 (E_RNA)
where:
Base-Base interactions energy: -17.401
where: short stacking energy: -17.401
Base-Backbone interact. energy: -0.000
local terms energy: -22.237688
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.664
flat angles P-C4'-P energy: -3.378
tors. eta vs tors. theta energy: -5.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -33.996920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.996920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.996920 (E_RNA)
where:
Base-Base interactions energy: -17.386
where: short stacking energy: -17.386
Base-Backbone interact. energy: -0.000
local terms energy: -16.611319
where:
bonds (distance) C4'-P energy: -2.494
bonds (distance) P-C4' energy: -3.790
flat angles C4'-P-C4' energy: -4.305
flat angles P-C4'-P energy: -2.764
tors. eta vs tors. theta energy: -3.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -32.103269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.103269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.103269 (E_RNA)
where:
Base-Base interactions energy: -12.825
where: short stacking energy: -12.825
Base-Backbone interact. energy: -0.000
local terms energy: -19.277815
where:
bonds (distance) C4'-P energy: -3.459
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -3.786
flat angles P-C4'-P energy: -3.921
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: 4, replica: 8
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -24.001137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.001137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.001137 (E_RNA)
where:
Base-Base interactions energy: -8.193
where: short stacking energy: -8.193
Base-Backbone interact. energy: -0.001
local terms energy: -15.807129
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -3.532
flat angles C4'-P-C4' energy: -4.025
flat angles P-C4'-P energy: -2.652
tors. eta vs tors. theta energy: -1.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -32.337106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.337106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.337106 (E_RNA)
where:
Base-Base interactions energy: -13.936
where: short stacking energy: -13.936
Base-Backbone interact. energy: -0.000
local terms energy: -18.401492
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.367
flat angles C4'-P-C4' energy: -3.816
flat angles P-C4'-P energy: -2.557
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: 6, replica: 10
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -31.611163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.611163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.611163 (E_RNA)
where:
Base-Base interactions energy: -11.801
where: short stacking energy: -11.801
Base-Backbone interact. energy: -0.000
local terms energy: -19.810350
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.483
flat angles P-C4'-P energy: -2.688
tors. eta vs tors. theta energy: -4.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -26.240501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.240501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.240501 (E_RNA)
where:
Base-Base interactions energy: -8.739
where: short stacking energy: -8.739
Base-Backbone interact. energy: -0.000
local terms energy: -17.501209
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -4.413
flat angles C4'-P-C4' energy: -4.017
flat angles P-C4'-P energy: -2.441
tors. eta vs tors. theta energy: -2.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -24.691035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.691035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.691035 (E_RNA)
where:
Base-Base interactions energy: -9.638
where: short stacking energy: -4.767
Base-Backbone interact. energy: -0.095
local terms energy: -14.958564
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -3.258
flat angles P-C4'-P energy: -2.949
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: 9, replica: 5
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -22.854914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.854914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.854914 (E_RNA)
where:
Base-Base interactions energy: -7.071
where: short stacking energy: -7.071
Base-Backbone interact. energy: -0.000
local terms energy: -15.784035
where:
bonds (distance) C4'-P energy: -3.247
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -2.612
flat angles P-C4'-P energy: -1.792
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: 144
Temperature: 1.350000
Total energy: -27.010131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.010131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.010131 (E_RNA)
where:
Base-Base interactions energy: -9.636
where: short stacking energy: -9.636
Base-Backbone interact. energy: -0.000
local terms energy: -17.374231
where:
bonds (distance) C4'-P energy: -3.036
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.195
flat angles P-C4'-P energy: -3.007
tors. eta vs tors. theta energy: -2.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -36.691080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.691080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.691080 (E_RNA)
where:
Base-Base interactions energy: -18.939
where: short stacking energy: -8.731
Base-Backbone interact. energy: 0.173
local terms energy: -17.925771
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -3.537
flat angles P-C4'-P energy: -2.923
tors. eta vs tors. theta energy: -2.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -33.889644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.889644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.889644 (E_RNA)
where:
Base-Base interactions energy: -13.741
where: short stacking energy: -13.741
Base-Backbone interact. energy: -0.005
local terms energy: -20.143414
where:
bonds (distance) C4'-P energy: -3.363
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.697
flat angles P-C4'-P energy: -3.608
tors. eta vs tors. theta energy: -3.121
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: 2
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -30.235313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.235313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.235313 (E_RNA)
where:
Base-Base interactions energy: -12.730
where: short stacking energy: -9.407
Base-Backbone interact. energy: -0.039
local terms energy: -17.466932
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -4.464
flat angles P-C4'-P energy: -1.892
tors. eta vs tors. theta energy: -2.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -30.931975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.931975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.931975 (E_RNA)
where:
Base-Base interactions energy: -10.774
where: short stacking energy: -10.774
Base-Backbone interact. energy: -0.000
local terms energy: -20.157753
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -4.434
flat angles P-C4'-P energy: -2.755
tors. eta vs tors. theta energy: -3.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -35.915600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.915600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.915600 (E_RNA)
where:
Base-Base interactions energy: -15.719
where: short stacking energy: -15.719
Base-Backbone interact. energy: -0.000
local terms energy: -20.196934
where:
bonds (distance) C4'-P energy: -3.198
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.674
flat angles P-C4'-P energy: -3.750
tors. eta vs tors. theta energy: -4.457
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: 6, replica: 6
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -26.224154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.224154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.224154 (E_RNA)
where:
Base-Base interactions energy: -9.188
where: short stacking energy: -9.188
Base-Backbone interact. energy: -0.101
local terms energy: -16.935669
where:
bonds (distance) C4'-P energy: -2.075
bonds (distance) P-C4' energy: -4.044
flat angles C4'-P-C4' energy: -4.609
flat angles P-C4'-P energy: -3.546
tors. eta vs tors. theta energy: -2.662
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: 10
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -27.561233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.561233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.561233 (E_RNA)
where:
Base-Base interactions energy: -10.454
where: short stacking energy: -10.454
Base-Backbone interact. energy: -0.000
local terms energy: -17.107176
where:
bonds (distance) C4'-P energy: -4.448
bonds (distance) P-C4' energy: -4.047
flat angles C4'-P-C4' energy: -3.929
flat angles P-C4'-P energy: -2.519
tors. eta vs tors. theta energy: -2.164
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: 5
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -31.923213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.923213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.923213 (E_RNA)
where:
Base-Base interactions energy: -14.053
where: short stacking energy: -14.053
Base-Backbone interact. energy: -0.000
local terms energy: -17.869915
where:
bonds (distance) C4'-P energy: -3.691
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.675
flat angles P-C4'-P energy: -1.849
tors. eta vs tors. theta energy: -3.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -23.426501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.426501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.426501 (E_RNA)
where:
Base-Base interactions energy: -7.729
where: short stacking energy: -7.729
Base-Backbone interact. energy: -0.002
local terms energy: -15.695363
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.159
flat angles C4'-P-C4' energy: -4.154
flat angles P-C4'-P energy: -2.998
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: 7
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -29.843307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.843307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.843307 (E_RNA)
where:
Base-Base interactions energy: -10.555
where: short stacking energy: -10.555
Base-Backbone interact. energy: -0.002
local terms energy: -19.285890
where:
bonds (distance) C4'-P energy: -3.691
bonds (distance) P-C4' energy: -4.839
flat angles C4'-P-C4' energy: -3.468
flat angles P-C4'-P energy: -4.042
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: 1, replica: 9
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -35.093790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.093790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.093790 (E_RNA)
where:
Base-Base interactions energy: -12.416
where: short stacking energy: -12.416
Base-Backbone interact. energy: -0.000
local terms energy: -22.677777
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.901
flat angles P-C4'-P energy: -2.979
tors. eta vs tors. theta energy: -5.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -34.579924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.579924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.579924 (E_RNA)
where:
Base-Base interactions energy: -18.505
where: short stacking energy: -7.570
Base-Backbone interact. energy: -0.010
local terms energy: -16.064176
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -3.969
flat angles C4'-P-C4' energy: -3.641
flat angles P-C4'-P energy: -2.798
tors. eta vs tors. theta energy: -1.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -29.549142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.549142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.549142 (E_RNA)
where:
Base-Base interactions energy: -12.763
where: short stacking energy: -12.763
Base-Backbone interact. energy: -0.000
local terms energy: -16.786023
where:
bonds (distance) C4'-P energy: -3.372
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -1.351
flat angles P-C4'-P energy: -3.740
tors. eta vs tors. theta energy: -3.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -37.907112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.907112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.907112 (E_RNA)
where:
Base-Base interactions energy: -17.034
where: short stacking energy: -17.034
Base-Backbone interact. energy: -0.000
local terms energy: -20.873221
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -3.981
flat angles C4'-P-C4' energy: -4.609
flat angles P-C4'-P energy: -2.310
tors. eta vs tors. theta energy: -5.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -30.061569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.061569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.061569 (E_RNA)
where:
Base-Base interactions energy: -12.297
where: short stacking energy: -12.297
Base-Backbone interact. energy: -0.000
local terms energy: -17.764644
where:
bonds (distance) C4'-P energy: -3.745
bonds (distance) P-C4' energy: -3.075
flat angles C4'-P-C4' energy: -3.799
flat angles P-C4'-P energy: -3.569
tors. eta vs tors. theta energy: -3.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -26.179962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.179962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.179962 (E_RNA)
where:
Base-Base interactions energy: -9.865
where: short stacking energy: -9.865
Base-Backbone interact. energy: -0.005
local terms energy: -16.310074
where:
bonds (distance) C4'-P energy: -3.310
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -3.115
flat angles P-C4'-P energy: -2.921
tors. eta vs tors. theta energy: -2.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -27.809811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.809811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.809811 (E_RNA)
where:
Base-Base interactions energy: -12.713
where: short stacking energy: -12.713
Base-Backbone interact. energy: -0.006
local terms energy: -15.090800
where:
bonds (distance) C4'-P energy: -1.844
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -4.138
flat angles P-C4'-P energy: -1.955
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: 8, replica: 10
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -26.030322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.030322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.030322 (E_RNA)
where:
Base-Base interactions energy: -8.862
where: short stacking energy: -8.862
Base-Backbone interact. energy: -0.000
local terms energy: -17.168420
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -3.532
flat angles C4'-P-C4' energy: -4.416
flat angles P-C4'-P energy: -1.593
tors. eta vs tors. theta energy: -3.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -25.997523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.997523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.997523 (E_RNA)
where:
Base-Base interactions energy: -8.991
where: short stacking energy: -8.991
Base-Backbone interact. energy: -0.100
local terms energy: -16.906147
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -3.748
flat angles C4'-P-C4' energy: -3.749
flat angles P-C4'-P energy: -3.251
tors. eta vs tors. theta energy: -2.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -24.950134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.950134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.950134 (E_RNA)
where:
Base-Base interactions energy: -12.265
where: short stacking energy: -12.265
Base-Backbone interact. energy: -0.001
local terms energy: -12.683832
where:
bonds (distance) C4'-P energy: -0.192
bonds (distance) P-C4' energy: -4.174
flat angles C4'-P-C4' energy: -4.573
flat angles P-C4'-P energy: -2.741
tors. eta vs tors. theta energy: -1.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -35.894091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.894091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.894091 (E_RNA)
where:
Base-Base interactions energy: -17.113
where: short stacking energy: -17.113
Base-Backbone interact. energy: -0.000
local terms energy: -18.781503
where:
bonds (distance) C4'-P energy: -3.301
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -3.126
flat angles P-C4'-P energy: -2.953
tors. eta vs tors. theta energy: -4.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -37.595807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.595807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.595807 (E_RNA)
where:
Base-Base interactions energy: -20.951
where: short stacking energy: -12.226
Base-Backbone interact. energy: -0.001
local terms energy: -16.644744
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.837
flat angles P-C4'-P energy: -2.489
tors. eta vs tors. theta energy: -0.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -34.827260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.827260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.827260 (E_RNA)
where:
Base-Base interactions energy: -15.212
where: short stacking energy: -15.212
Base-Backbone interact. energy: -0.000
local terms energy: -19.615475
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -4.575
flat angles C4'-P-C4' energy: -2.898
flat angles P-C4'-P energy: -2.822
tors. eta vs tors. theta energy: -5.103
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: 4, replica: 2
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -34.474383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.474383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.474383 (E_RNA)
where:
Base-Base interactions energy: -13.846
where: short stacking energy: -13.846
Base-Backbone interact. energy: -0.000
local terms energy: -20.628457
where:
bonds (distance) C4'-P energy: -3.654
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.364
flat angles P-C4'-P energy: -3.716
tors. eta vs tors. theta energy: -3.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -29.236162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.236162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.236162 (E_RNA)
where:
Base-Base interactions energy: -12.244
where: short stacking energy: -12.244
Base-Backbone interact. energy: 0.026
local terms energy: -17.018177
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.174
flat angles C4'-P-C4' energy: -2.638
flat angles P-C4'-P energy: -2.971
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: 6, replica: 5
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -26.584033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.584033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.584033 (E_RNA)
where:
Base-Base interactions energy: -8.337
where: short stacking energy: -8.337
Base-Backbone interact. energy: -0.000
local terms energy: -18.246576
where:
bonds (distance) C4'-P energy: -3.036
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -4.080
flat angles P-C4'-P energy: -3.071
tors. eta vs tors. theta energy: -2.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -29.816004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.816004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.816004 (E_RNA)
where:
Base-Base interactions energy: -10.882
where: short stacking energy: -10.882
Base-Backbone interact. energy: -0.000
local terms energy: -18.933592
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -4.698
flat angles P-C4'-P energy: -2.200
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: 8, replica: 7
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -28.459031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.459031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.459031 (E_RNA)
where:
Base-Base interactions energy: -10.069
where: short stacking energy: -10.069
Base-Backbone interact. energy: -0.000
local terms energy: -18.389588
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.055
flat angles P-C4'-P energy: -1.841
tors. eta vs tors. theta energy: -3.387
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: 9, replica: 10
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -29.572919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.572919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.572919 (E_RNA)
where:
Base-Base interactions energy: -11.720
where: short stacking energy: -11.720
Base-Backbone interact. energy: -0.000
local terms energy: -17.853249
where:
bonds (distance) C4'-P energy: -3.372
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -2.553
flat angles P-C4'-P energy: -2.806
tors. eta vs tors. theta energy: -4.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -24.883971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.883971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.883971 (E_RNA)
where:
Base-Base interactions energy: -12.017
where: short stacking energy: -11.378
Base-Backbone interact. energy: -0.093
local terms energy: -12.773685
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -1.031
flat angles P-C4'-P energy: -1.613
tors. eta vs tors. theta energy: -0.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -31.619129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.619129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.619129 (E_RNA)
where:
Base-Base interactions energy: -12.254
where: short stacking energy: -12.254
Base-Backbone interact. energy: -0.000
local terms energy: -19.364639
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.603
flat angles C4'-P-C4' energy: -3.688
flat angles P-C4'-P energy: -2.456
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: 2, replica: 9
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -36.960675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.960675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.960675 (E_RNA)
where:
Base-Base interactions energy: -15.443
where: short stacking energy: -15.443
Base-Backbone interact. energy: -0.000
local terms energy: -21.517359
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -3.818
flat angles C4'-P-C4' energy: -4.731
flat angles P-C4'-P energy: -3.835
tors. eta vs tors. theta energy: -4.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -32.391201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.391201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.391201 (E_RNA)
where:
Base-Base interactions energy: -14.298
where: short stacking energy: -14.298
Base-Backbone interact. energy: -0.000
local terms energy: -18.093569
where:
bonds (distance) C4'-P energy: -3.247
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -4.097
flat angles P-C4'-P energy: -2.838
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: 4, replica: 1
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -28.173527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.173527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.173527 (E_RNA)
where:
Base-Base interactions energy: -8.390
where: short stacking energy: -8.390
Base-Backbone interact. energy: -0.000
local terms energy: -19.783718
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.572
flat angles P-C4'-P energy: -3.654
tors. eta vs tors. theta energy: -3.612
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: 6
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -29.374301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.374301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.374301 (E_RNA)
where:
Base-Base interactions energy: -11.602
where: short stacking energy: -11.602
Base-Backbone interact. energy: -0.001
local terms energy: -17.771659
where:
bonds (distance) C4'-P energy: -3.773
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -3.527
flat angles P-C4'-P energy: -1.752
tors. eta vs tors. theta energy: -3.860
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: 5
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -27.967052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.967052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.967052 (E_RNA)
where:
Base-Base interactions energy: -9.718
where: short stacking energy: -9.718
Base-Backbone interact. energy: -0.000
local terms energy: -18.249103
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -4.279
flat angles P-C4'-P energy: -3.995
tors. eta vs tors. theta energy: -0.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -24.076155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.076155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.076155 (E_RNA)
where:
Base-Base interactions energy: -7.808
where: short stacking energy: -7.808
Base-Backbone interact. energy: -0.010
local terms energy: -16.258137
where:
bonds (distance) C4'-P energy: -2.402
bonds (distance) P-C4' energy: -4.653
flat angles C4'-P-C4' energy: -4.732
flat angles P-C4'-P energy: -2.704
tors. eta vs tors. theta energy: -1.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -28.699405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.699405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.699405 (E_RNA)
where:
Base-Base interactions energy: -8.208
where: short stacking energy: -8.208
Base-Backbone interact. energy: -0.000
local terms energy: -20.491049
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -4.231
flat angles P-C4'-P energy: -3.450
tors. eta vs tors. theta energy: -3.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -29.243444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.243444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.243444 (E_RNA)
where:
Base-Base interactions energy: -11.874
where: short stacking energy: -11.874
Base-Backbone interact. energy: -0.000
local terms energy: -17.369666
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.183
flat angles P-C4'-P energy: -0.976
tors. eta vs tors. theta energy: -3.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -26.298365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.298365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.298365 (E_RNA)
where:
Base-Base interactions energy: -8.591
where: short stacking energy: -8.591
Base-Backbone interact. energy: -0.000
local terms energy: -17.707210
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.441
flat angles C4'-P-C4' energy: -3.381
flat angles P-C4'-P energy: -3.715
tors. eta vs tors. theta energy: -1.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -38.475306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.475306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.475306 (E_RNA)
where:
Base-Base interactions energy: -15.920
where: short stacking energy: -15.920
Base-Backbone interact. energy: -0.000
local terms energy: -22.555619
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.517
flat angles P-C4'-P energy: -3.483
tors. eta vs tors. theta energy: -4.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -35.711520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.711520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.711520 (E_RNA)
where:
Base-Base interactions energy: -16.210
where: short stacking energy: -12.633
Base-Backbone interact. energy: -0.000
local terms energy: -19.501273
where:
bonds (distance) C4'-P energy: -3.070
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.730
flat angles P-C4'-P energy: -3.759
tors. eta vs tors. theta energy: -3.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -30.916024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.916024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.916024 (E_RNA)
where:
Base-Base interactions energy: -13.423
where: short stacking energy: -13.423
Base-Backbone interact. energy: -0.000
local terms energy: -17.493391
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -3.987
flat angles C4'-P-C4' energy: -3.937
flat angles P-C4'-P energy: -3.598
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: 4, replica: 6
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -32.701787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.701787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.701787 (E_RNA)
where:
Base-Base interactions energy: -13.058
where: short stacking energy: -13.058
Base-Backbone interact. energy: -0.000
local terms energy: -19.644227
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.628
flat angles P-C4'-P energy: -2.143
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: 5, replica: 1
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -32.507023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.507023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.507023 (E_RNA)
where:
Base-Base interactions energy: -13.063
where: short stacking energy: -13.063
Base-Backbone interact. energy: -0.000
local terms energy: -19.443987
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -3.991
flat angles C4'-P-C4' energy: -4.599
flat angles P-C4'-P energy: -3.417
tors. eta vs tors. theta energy: -2.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -26.744947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.744947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.744947 (E_RNA)
where:
Base-Base interactions energy: -13.464
where: short stacking energy: -5.484
Base-Backbone interact. energy: -1.021
local terms energy: -12.259956
where:
bonds (distance) C4'-P energy: -3.773
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -4.344
flat angles P-C4'-P energy: -1.775
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: 7, replica: 5
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -29.926335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.926335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.926335 (E_RNA)
where:
Base-Base interactions energy: -10.889
where: short stacking energy: -10.889
Base-Backbone interact. energy: -0.000
local terms energy: -19.036861
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.051
flat angles C4'-P-C4' energy: -4.034
flat angles P-C4'-P energy: -2.892
tors. eta vs tors. theta energy: -3.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -30.796422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.796422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.796422 (E_RNA)
where:
Base-Base interactions energy: -13.470
where: short stacking energy: -13.470
Base-Backbone interact. energy: -0.000
local terms energy: -17.326121
where:
bonds (distance) C4'-P energy: -3.045
bonds (distance) P-C4' energy: -3.297
flat angles C4'-P-C4' energy: -4.398
flat angles P-C4'-P energy: -1.450
tors. eta vs tors. theta energy: -5.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -23.286325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.286325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.286325 (E_RNA)
where:
Base-Base interactions energy: -9.312
where: short stacking energy: -9.312
Base-Backbone interact. energy: -0.001
local terms energy: -13.972609
where:
bonds (distance) C4'-P energy: -1.472
bonds (distance) P-C4' energy: -4.174
flat angles C4'-P-C4' energy: -3.958
flat angles P-C4'-P energy: -3.240
tors. eta vs tors. theta energy: -1.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -23.879555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.879555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.879555 (E_RNA)
where:
Base-Base interactions energy: -9.027
where: short stacking energy: -9.027
Base-Backbone interact. energy: -0.000
local terms energy: -14.852384
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -4.044
flat angles C4'-P-C4' energy: -3.485
flat angles P-C4'-P energy: -1.235
tors. eta vs tors. theta energy: -2.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -36.821715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.821715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.821715 (E_RNA)
where:
Base-Base interactions energy: -18.212
where: short stacking energy: -9.733
Base-Backbone interact. energy: -0.008
local terms energy: -18.601904
where:
bonds (distance) C4'-P energy: -4.750
bonds (distance) P-C4' energy: -4.336
flat angles C4'-P-C4' energy: -4.029
flat angles P-C4'-P energy: -3.626
tors. eta vs tors. theta energy: -1.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -33.158702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.158702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.158702 (E_RNA)
where:
Base-Base interactions energy: -14.532
where: short stacking energy: -14.532
Base-Backbone interact. energy: -0.000
local terms energy: -18.626372
where:
bonds (distance) C4'-P energy: -2.573
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.225
flat angles P-C4'-P energy: -3.316
tors. eta vs tors. theta energy: -3.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -31.199266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.199266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.199266 (E_RNA)
where:
Base-Base interactions energy: -12.400
where: short stacking energy: -12.400
Base-Backbone interact. energy: -0.011
local terms energy: -18.788839
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.361
flat angles C4'-P-C4' energy: -4.422
flat angles P-C4'-P energy: -2.194
tors. eta vs tors. theta energy: -2.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -35.585570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.585570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.585570 (E_RNA)
where:
Base-Base interactions energy: -15.666
where: short stacking energy: -15.666
Base-Backbone interact. energy: -0.000
local terms energy: -19.919385
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.030
flat angles P-C4'-P energy: -3.525
tors. eta vs tors. theta energy: -2.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -32.346349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.346349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.346349 (E_RNA)
where:
Base-Base interactions energy: -11.436
where: short stacking energy: -11.436
Base-Backbone interact. energy: -0.000
local terms energy: -20.910187
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.316
flat angles P-C4'-P energy: -2.773
tors. eta vs tors. theta energy: -4.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -30.404097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.404097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.404097 (E_RNA)
where:
Base-Base interactions energy: -12.932
where: short stacking energy: -12.932
Base-Backbone interact. energy: -0.000
local terms energy: -17.472246
where:
bonds (distance) C4'-P energy: -2.970
bonds (distance) P-C4' energy: -3.987
flat angles C4'-P-C4' energy: -4.202
flat angles P-C4'-P energy: -2.977
tors. eta vs tors. theta energy: -3.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -26.998344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.998344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.998344 (E_RNA)
where:
Base-Base interactions energy: -8.867
where: short stacking energy: -8.867
Base-Backbone interact. energy: -0.000
local terms energy: -18.131212
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.136
flat angles P-C4'-P energy: -2.947
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: 8, replica: 5
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -31.795658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.795658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.795658 (E_RNA)
where:
Base-Base interactions energy: -12.987
where: short stacking energy: -12.987
Base-Backbone interact. energy: -0.000
local terms energy: -18.808662
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -4.167
flat angles P-C4'-P energy: -2.406
tors. eta vs tors. theta energy: -3.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -26.085721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.085721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.085721 (E_RNA)
where:
Base-Base interactions energy: -8.124
where: short stacking energy: -8.124
Base-Backbone interact. energy: -0.000
local terms energy: -17.961363
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -4.649
flat angles C4'-P-C4' energy: -4.133
flat angles P-C4'-P energy: -3.086
tors. eta vs tors. theta energy: -2.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -28.294932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.294932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.294932 (E_RNA)
where:
Base-Base interactions energy: -7.520
where: short stacking energy: -7.520
Base-Backbone interact. energy: -0.000
local terms energy: -20.774950
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -4.428
flat angles P-C4'-P energy: -3.399
tors. eta vs tors. theta energy: -3.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -38.324827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.324827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.324827 (E_RNA)
where:
Base-Base interactions energy: -20.023
where: short stacking energy: -11.757
Base-Backbone interact. energy: -0.000
local terms energy: -18.301785
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -3.130
flat angles P-C4'-P energy: -3.644
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: 2, replica: 6
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -32.278685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.278685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.278685 (E_RNA)
where:
Base-Base interactions energy: -13.648
where: short stacking energy: -13.648
Base-Backbone interact. energy: -0.000
local terms energy: -18.630400
where:
bonds (distance) C4'-P energy: -3.148
bonds (distance) P-C4' energy: -5.361
flat angles C4'-P-C4' energy: -3.465
flat angles P-C4'-P energy: -3.958
tors. eta vs tors. theta energy: -2.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -34.081375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.081375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.081375 (E_RNA)
where:
Base-Base interactions energy: -14.476
where: short stacking energy: -14.476
Base-Backbone interact. energy: -0.000
local terms energy: -19.605553
where:
bonds (distance) C4'-P energy: -3.708
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -4.552
flat angles P-C4'-P energy: -3.655
tors. eta vs tors. theta energy: -3.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -28.474195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.474195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.474195 (E_RNA)
where:
Base-Base interactions energy: -8.138
where: short stacking energy: -8.138
Base-Backbone interact. energy: -0.000
local terms energy: -20.336113
where:
bonds (distance) C4'-P energy: -2.395
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.334
flat angles P-C4'-P energy: -3.994
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: 5, replica: 2
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -32.972960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.972960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.972960 (E_RNA)
where:
Base-Base interactions energy: -16.312
where: short stacking energy: -16.312
Base-Backbone interact. energy: -0.000
local terms energy: -16.661194
where:
bonds (distance) C4'-P energy: -2.928
bonds (distance) P-C4' energy: -2.625
flat angles C4'-P-C4' energy: -3.904
flat angles P-C4'-P energy: -4.014
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: 6, replica: 4
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -32.260854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.260854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.260854 (E_RNA)
where:
Base-Base interactions energy: -14.512
where: short stacking energy: -14.512
Base-Backbone interact. energy: -0.000
local terms energy: -17.749119
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -3.557
flat angles C4'-P-C4' energy: -3.692
flat angles P-C4'-P energy: -2.528
tors. eta vs tors. theta energy: -3.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -28.418662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.418662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.418662 (E_RNA)
where:
Base-Base interactions energy: -11.414
where: short stacking energy: -11.414
Base-Backbone interact. energy: -0.000
local terms energy: -17.005055
where:
bonds (distance) C4'-P energy: -4.332
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -3.504
flat angles P-C4'-P energy: -1.075
tors. eta vs tors. theta energy: -2.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -26.384318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.384318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.384318 (E_RNA)
where:
Base-Base interactions energy: -11.741
where: short stacking energy: -11.741
Base-Backbone interact. energy: -0.000
local terms energy: -14.642886
where:
bonds (distance) C4'-P energy: -1.720
bonds (distance) P-C4' energy: -3.395
flat angles C4'-P-C4' energy: -3.090
flat angles P-C4'-P energy: -2.343
tors. eta vs tors. theta energy: -4.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -27.726312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.726312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.726312 (E_RNA)
where:
Base-Base interactions energy: -13.732
where: short stacking energy: -8.851
Base-Backbone interact. energy: -0.156
local terms energy: -13.837914
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -3.221
flat angles P-C4'-P energy: -1.556
tors. eta vs tors. theta energy: 0.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -30.056006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.056006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.056006 (E_RNA)
where:
Base-Base interactions energy: -13.115
where: short stacking energy: -13.115
Base-Backbone interact. energy: -0.000
local terms energy: -16.941143
where:
bonds (distance) C4'-P energy: -3.161
bonds (distance) P-C4' energy: -4.603
flat angles C4'-P-C4' energy: -3.856
flat angles P-C4'-P energy: -1.938
tors. eta vs tors. theta energy: -3.383
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: 1, replica: 6
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -29.390762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.390762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.390762 (E_RNA)
where:
Base-Base interactions energy: -11.654
where: short stacking energy: -11.654
Base-Backbone interact. energy: -0.001
local terms energy: -17.735427
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.825
flat angles P-C4'-P energy: -1.996
tors. eta vs tors. theta energy: -1.498
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: 9
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -36.542885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.542885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.542885 (E_RNA)
where:
Base-Base interactions energy: -16.090
where: short stacking energy: -16.090
Base-Backbone interact. energy: -0.000
local terms energy: -20.452781
where:
bonds (distance) C4'-P energy: -3.773
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -4.693
flat angles P-C4'-P energy: -1.875
tors. eta vs tors. theta energy: -4.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -34.413120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.413120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.413120 (E_RNA)
where:
Base-Base interactions energy: -12.594
where: short stacking energy: -12.594
Base-Backbone interact. energy: -0.000
local terms energy: -21.819476
where:
bonds (distance) C4'-P energy: -4.055
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.629
flat angles P-C4'-P energy: -3.681
tors. eta vs tors. theta energy: -4.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -29.658640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.658640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.658640 (E_RNA)
where:
Base-Base interactions energy: -8.383
where: short stacking energy: -8.383
Base-Backbone interact. energy: -0.000
local terms energy: -21.275249
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -4.131
flat angles P-C4'-P energy: -3.222
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: 5, replica: 4
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -27.053359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.053359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.053359 (E_RNA)
where:
Base-Base interactions energy: -8.982
where: short stacking energy: -8.982
Base-Backbone interact. energy: -0.000
local terms energy: -18.071649
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.305
flat angles P-C4'-P energy: -1.517
tors. eta vs tors. theta energy: -2.385
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: 2
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -28.890964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.890964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.890964 (E_RNA)
where:
Base-Base interactions energy: -10.940
where: short stacking energy: -10.940
Base-Backbone interact. energy: -0.000
local terms energy: -17.950841
where:
bonds (distance) C4'-P energy: -2.954
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -3.656
flat angles P-C4'-P energy: -4.110
tors. eta vs tors. theta energy: -2.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -24.075874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.075874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.075874 (E_RNA)
where:
Base-Base interactions energy: -8.039
where: short stacking energy: -8.039
Base-Backbone interact. energy: -0.017
local terms energy: -16.020036
where:
bonds (distance) C4'-P energy: -3.691
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -3.709
flat angles P-C4'-P energy: -0.889
tors. eta vs tors. theta energy: -2.373
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: 8, replica: 1
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -24.662178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.662178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.662178 (E_RNA)
where:
Base-Base interactions energy: -8.025
where: short stacking energy: -8.025
Base-Backbone interact. energy: -0.001
local terms energy: -16.636651
where:
bonds (distance) C4'-P energy: -2.680
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -2.911
flat angles P-C4'-P energy: -3.376
tors. eta vs tors. theta energy: -2.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -26.670487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.670487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.670487 (E_RNA)
where:
Base-Base interactions energy: -11.295
where: short stacking energy: -11.295
Base-Backbone interact. energy: -0.000
local terms energy: -15.375883
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -4.106
flat angles C4'-P-C4' energy: -2.504
flat angles P-C4'-P energy: -1.696
tors. eta vs tors. theta energy: -3.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -25.814132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.814132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.814132 (E_RNA)
where:
Base-Base interactions energy: -8.485
where: short stacking energy: -8.485
Base-Backbone interact. energy: -0.000
local terms energy: -17.328810
where:
bonds (distance) C4'-P energy: -2.299
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.485
flat angles P-C4'-P energy: -2.347
tors. eta vs tors. theta energy: -3.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -39.329094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.329094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.329094 (E_RNA)
where:
Base-Base interactions energy: -18.078
where: short stacking energy: -18.078
Base-Backbone interact. energy: -0.000
local terms energy: -21.251096
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.564
flat angles P-C4'-P energy: -3.671
tors. eta vs tors. theta energy: -3.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -33.670197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.670197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.670197 (E_RNA)
where:
Base-Base interactions energy: -12.262
where: short stacking energy: -12.262
Base-Backbone interact. energy: -0.000
local terms energy: -21.408523
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.647
flat angles P-C4'-P energy: -3.375
tors. eta vs tors. theta energy: -3.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -37.156203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.156203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.156203 (E_RNA)
where:
Base-Base interactions energy: -16.803
where: short stacking energy: -16.803
Base-Backbone interact. energy: -0.000
local terms energy: -20.353357
where:
bonds (distance) C4'-P energy: -4.303
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.271
flat angles P-C4'-P energy: -1.195
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: 4, replica: 4
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -33.888040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.888040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.888040 (E_RNA)
where:
Base-Base interactions energy: -13.465
where: short stacking energy: -13.465
Base-Backbone interact. energy: -0.000
local terms energy: -20.422536
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.728
flat angles P-C4'-P energy: -3.070
tors. eta vs tors. theta energy: -4.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -25.577139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.577139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.577139 (E_RNA)
where:
Base-Base interactions energy: -11.297
where: short stacking energy: -11.297
Base-Backbone interact. energy: -0.000
local terms energy: -14.280125
where:
bonds (distance) C4'-P energy: -1.827
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -4.611
flat angles P-C4'-P energy: -1.755
tors. eta vs tors. theta energy: -1.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -29.934142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.934142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.934142 (E_RNA)
where:
Base-Base interactions energy: -13.133
where: short stacking energy: -13.133
Base-Backbone interact. energy: -0.000
local terms energy: -16.801073
where:
bonds (distance) C4'-P energy: -3.799
bonds (distance) P-C4' energy: -3.494
flat angles C4'-P-C4' energy: -3.703
flat angles P-C4'-P energy: -3.046
tors. eta vs tors. theta energy: -2.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -30.832781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.832781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.832781 (E_RNA)
where:
Base-Base interactions energy: -12.753
where: short stacking energy: -12.753
Base-Backbone interact. energy: -0.000
local terms energy: -18.079654
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.341
flat angles P-C4'-P energy: -0.141
tors. eta vs tors. theta energy: -5.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -26.324536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.324536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.324536 (E_RNA)
where:
Base-Base interactions energy: -8.466
where: short stacking energy: -8.466
Base-Backbone interact. energy: -0.000
local terms energy: -17.858384
where:
bonds (distance) C4'-P energy: -3.334
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -4.559
flat angles P-C4'-P energy: -2.762
tors. eta vs tors. theta energy: -2.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -26.696451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.696451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.696451 (E_RNA)
where:
Base-Base interactions energy: -11.256
where: short stacking energy: -11.256
Base-Backbone interact. energy: -0.000
local terms energy: -15.440866
where:
bonds (distance) C4'-P energy: -1.028
bonds (distance) P-C4' energy: -3.332
flat angles C4'-P-C4' energy: -3.236
flat angles P-C4'-P energy: -3.618
tors. eta vs tors. theta energy: -4.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -24.004435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.004435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.004435 (E_RNA)
where:
Base-Base interactions energy: -8.845
where: short stacking energy: -8.845
Base-Backbone interact. energy: -0.000
local terms energy: -15.159315
where:
bonds (distance) C4'-P energy: -4.270
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -3.210
flat angles P-C4'-P energy: -2.913
tors. eta vs tors. theta energy: 0.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -35.167957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.167957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.167957 (E_RNA)
where:
Base-Base interactions energy: -16.830
where: short stacking energy: -16.830
Base-Backbone interact. energy: -0.000
local terms energy: -18.337566
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -3.560
flat angles C4'-P-C4' energy: -3.552
flat angles P-C4'-P energy: -2.743
tors. eta vs tors. theta energy: -4.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -31.822935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.822935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.822935 (E_RNA)
where:
Base-Base interactions energy: -11.305
where: short stacking energy: -11.305
Base-Backbone interact. energy: -0.000
local terms energy: -20.517495
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.521
flat angles P-C4'-P energy: -3.062
tors. eta vs tors. theta energy: -3.070
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: 4
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -30.995785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.995785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.995785 (E_RNA)
where:
Base-Base interactions energy: -13.345
where: short stacking energy: -13.345
Base-Backbone interact. energy: -0.000
local terms energy: -17.650326
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -3.749
flat angles P-C4'-P energy: -1.495
tors. eta vs tors. theta energy: -3.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -34.992480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.992480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.992480 (E_RNA)
where:
Base-Base interactions energy: -16.777
where: short stacking energy: -16.777
Base-Backbone interact. energy: -0.000
local terms energy: -18.215809
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -3.934
flat angles P-C4'-P energy: -3.292
tors. eta vs tors. theta energy: -2.683
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: 5, replica: 10
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -26.347779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.347779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.347779 (E_RNA)
where:
Base-Base interactions energy: -11.980
where: short stacking energy: -8.720
Base-Backbone interact. energy: -0.079
local terms energy: -14.289677
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -3.312
flat angles P-C4'-P energy: -2.705
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: 6, replica: 8
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -23.199099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.199099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.199099 (E_RNA)
where:
Base-Base interactions energy: -8.316
where: short stacking energy: -8.316
Base-Backbone interact. energy: -0.031
local terms energy: -14.852605
where:
bonds (distance) C4'-P energy: -2.449
bonds (distance) P-C4' energy: -4.628
flat angles C4'-P-C4' energy: -4.632
flat angles P-C4'-P energy: -3.140
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: 7, replica: 3
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -25.981735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.981735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.981735 (E_RNA)
where:
Base-Base interactions energy: -10.680
where: short stacking energy: -10.680
Base-Backbone interact. energy: -0.000
local terms energy: -15.302106
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -3.557
flat angles C4'-P-C4' energy: -3.673
flat angles P-C4'-P energy: -2.660
tors. eta vs tors. theta energy: -1.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -29.546983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.546983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.546983 (E_RNA)
where:
Base-Base interactions energy: -12.375
where: short stacking energy: -12.375
Base-Backbone interact. energy: -0.000
local terms energy: -17.171491
where:
bonds (distance) C4'-P energy: -2.896
bonds (distance) P-C4' energy: -4.416
flat angles C4'-P-C4' energy: -4.736
flat angles P-C4'-P energy: -3.318
tors. eta vs tors. theta energy: -1.804
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: 9, replica: 5
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -28.824392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.824392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.824392 (E_RNA)
where:
Base-Base interactions energy: -10.845
where: short stacking energy: -10.845
Base-Backbone interact. energy: -0.000
local terms energy: -17.979480
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -3.861
flat angles P-C4'-P energy: -2.423
tors. eta vs tors. theta energy: -2.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -23.716134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.716134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.716134 (E_RNA)
where:
Base-Base interactions energy: -12.861
where: short stacking energy: -12.861
Base-Backbone interact. energy: -0.000
local terms energy: -10.855116
where:
bonds (distance) C4'-P energy: -0.284
bonds (distance) P-C4' energy: -3.389
flat angles C4'-P-C4' energy: -3.813
flat angles P-C4'-P energy: -1.175
tors. eta vs tors. theta energy: -2.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -31.712824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.712824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.712824 (E_RNA)
where:
Base-Base interactions energy: -12.685
where: short stacking energy: -12.685
Base-Backbone interact. energy: -0.001
local terms energy: -19.026171
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.314
flat angles C4'-P-C4' energy: -4.554
flat angles P-C4'-P energy: -3.872
tors. eta vs tors. theta energy: -2.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -33.998471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.998471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.998471 (E_RNA)
where:
Base-Base interactions energy: -12.657
where: short stacking energy: -12.657
Base-Backbone interact. energy: -0.000
local terms energy: -21.341107
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.643
flat angles P-C4'-P energy: -2.956
tors. eta vs tors. theta energy: -4.246
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: 4
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -33.988344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.988344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.988344 (E_RNA)
where:
Base-Base interactions energy: -15.025
where: short stacking energy: -15.025
Base-Backbone interact. energy: -0.000
local terms energy: -18.963265
where:
bonds (distance) C4'-P energy: -3.673
bonds (distance) P-C4' energy: -4.628
flat angles C4'-P-C4' energy: -4.225
flat angles P-C4'-P energy: -2.864
tors. eta vs tors. theta energy: -3.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -26.299440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.299440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.299440 (E_RNA)
where:
Base-Base interactions energy: -14.003
where: short stacking energy: -4.763
Base-Backbone interact. energy: -0.042
local terms energy: -12.253744
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -3.553
flat angles C4'-P-C4' energy: -2.298
flat angles P-C4'-P energy: -2.340
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: 9
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -33.749154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.749154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.749154 (E_RNA)
where:
Base-Base interactions energy: -15.826
where: short stacking energy: -15.826
Base-Backbone interact. energy: -0.000
local terms energy: -17.923402
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -3.793
flat angles C4'-P-C4' energy: -4.746
flat angles P-C4'-P energy: -2.397
tors. eta vs tors. theta energy: -2.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -25.982067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.982067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.982067 (E_RNA)
where:
Base-Base interactions energy: -9.202
where: short stacking energy: -9.202
Base-Backbone interact. energy: -0.001
local terms energy: -16.778986
where:
bonds (distance) C4'-P energy: -4.009
bonds (distance) P-C4' energy: -4.656
flat angles C4'-P-C4' energy: -3.514
flat angles P-C4'-P energy: -3.588
tors. eta vs tors. theta energy: -1.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -29.084703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.084703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.084703 (E_RNA)
where:
Base-Base interactions energy: -12.581
where: short stacking energy: -12.581
Base-Backbone interact. energy: -0.000
local terms energy: -16.503999
where:
bonds (distance) C4'-P energy: -3.773
bonds (distance) P-C4' energy: -3.131
flat angles C4'-P-C4' energy: -3.618
flat angles P-C4'-P energy: -2.924
tors. eta vs tors. theta energy: -3.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -27.672489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.672489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.672489 (E_RNA)
where:
Base-Base interactions energy: -12.303
where: short stacking energy: -12.303
Base-Backbone interact. energy: -0.000
local terms energy: -15.369258
where:
bonds (distance) C4'-P energy: -4.341
bonds (distance) P-C4' energy: -3.815
flat angles C4'-P-C4' energy: -2.822
flat angles P-C4'-P energy: -2.221
tors. eta vs tors. theta energy: -2.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -28.311537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.311537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.311537 (E_RNA)
where:
Base-Base interactions energy: -13.220
where: short stacking energy: -13.220
Base-Backbone interact. energy: -0.055
local terms energy: -15.036106
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -3.811
flat angles C4'-P-C4' energy: -4.599
flat angles P-C4'-P energy: -1.615
tors. eta vs tors. theta energy: -0.965
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: 1
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -20.932297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.932297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.932297 (E_RNA)
where:
Base-Base interactions energy: -8.521
where: short stacking energy: -3.180
Base-Backbone interact. energy: -0.087
local terms energy: -12.324975
where:
bonds (distance) C4'-P energy: -3.309
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -0.921
flat angles P-C4'-P energy: -1.571
tors. eta vs tors. theta energy: -1.176
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: 156
Temperature: 0.900000
Total energy: -37.062749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.062749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.062749 (E_RNA)
where:
Base-Base interactions energy: -20.733
where: short stacking energy: -12.644
Base-Backbone interact. energy: -0.006
local terms energy: -16.323979
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.647
flat angles P-C4'-P energy: -2.302
tors. eta vs tors. theta energy: -0.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -31.044467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.044467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.044467 (E_RNA)
where:
Base-Base interactions energy: -15.626
where: short stacking energy: -7.093
Base-Backbone interact. energy: -0.005
local terms energy: -15.413236
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -4.624
flat angles C4'-P-C4' energy: -3.232
flat angles P-C4'-P energy: -2.674
tors. eta vs tors. theta energy: -1.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -38.068301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.068301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.068301 (E_RNA)
where:
Base-Base interactions energy: -16.488
where: short stacking energy: -16.488
Base-Backbone interact. energy: -0.000
local terms energy: -21.580726
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -5.361
flat angles C4'-P-C4' energy: -4.119
flat angles P-C4'-P energy: -2.828
tors. eta vs tors. theta energy: -5.279
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: 156
Temperature: 1.050000
Total energy: -34.995258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.995258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.995258 (E_RNA)
where:
Base-Base interactions energy: -16.005
where: short stacking energy: -7.529
Base-Backbone interact. energy: -0.004
local terms energy: -18.986802
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.642
flat angles P-C4'-P energy: -3.815
tors. eta vs tors. theta energy: -1.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -35.650999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.650999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.650999 (E_RNA)
where:
Base-Base interactions energy: -15.190
where: short stacking energy: -15.190
Base-Backbone interact. energy: -0.000
local terms energy: -20.461158
where:
bonds (distance) C4'-P energy: -3.745
bonds (distance) P-C4' energy: -4.406
flat angles C4'-P-C4' energy: -4.065
flat angles P-C4'-P energy: -3.545
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: 6, replica: 9
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -26.803988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.803988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.803988 (E_RNA)
where:
Base-Base interactions energy: -9.379
where: short stacking energy: -9.379
Base-Backbone interact. energy: -0.000
local terms energy: -17.424513
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -2.349
flat angles C4'-P-C4' energy: -4.338
flat angles P-C4'-P energy: -2.967
tors. eta vs tors. theta energy: -3.671
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: 7, replica: 5
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -34.714705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.714705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.714705 (E_RNA)
where:
Base-Base interactions energy: -14.801
where: short stacking energy: -14.801
Base-Backbone interact. energy: -0.000
local terms energy: -19.913676
where:
bonds (distance) C4'-P energy: -3.629
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -3.958
flat angles P-C4'-P energy: -2.841
tors. eta vs tors. theta energy: -4.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -29.894686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.894686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.894686 (E_RNA)
where:
Base-Base interactions energy: -12.431
where: short stacking energy: -12.431
Base-Backbone interact. energy: -0.000
local terms energy: -17.463275
where:
bonds (distance) C4'-P energy: -4.233
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -3.907
flat angles P-C4'-P energy: -0.919
tors. eta vs tors. theta energy: -3.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -25.989006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.989006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.989006 (E_RNA)
where:
Base-Base interactions energy: -9.167
where: short stacking energy: -9.167
Base-Backbone interact. energy: -0.000
local terms energy: -16.821447
where:
bonds (distance) C4'-P energy: -3.691
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -3.265
flat angles P-C4'-P energy: -0.401
tors. eta vs tors. theta energy: -4.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -22.961649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.961649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.961649 (E_RNA)
where:
Base-Base interactions energy: -8.057
where: short stacking energy: -8.057
Base-Backbone interact. energy: -0.000
local terms energy: -14.904233
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -3.103
flat angles C4'-P-C4' energy: -3.696
flat angles P-C4'-P energy: -2.649
tors. eta vs tors. theta energy: -1.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -33.263424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.263424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.263424 (E_RNA)
where:
Base-Base interactions energy: -13.357
where: short stacking energy: -13.357
Base-Backbone interact. energy: -0.000
local terms energy: -19.906500
where:
bonds (distance) C4'-P energy: -3.152
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -4.766
flat angles P-C4'-P energy: -3.235
tors. eta vs tors. theta energy: -3.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -34.497978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.497978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.497978 (E_RNA)
where:
Base-Base interactions energy: -15.812
where: short stacking energy: -15.812
Base-Backbone interact. energy: -0.000
local terms energy: -18.685480
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -4.600
flat angles C4'-P-C4' energy: -4.717
flat angles P-C4'-P energy: -2.676
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: 3, replica: 7
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -33.272023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.272023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.272023 (E_RNA)
where:
Base-Base interactions energy: -13.706
where: short stacking energy: -13.706
Base-Backbone interact. energy: -0.000
local terms energy: -19.565572
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -4.016
flat angles P-C4'-P energy: -3.538
tors. eta vs tors. theta energy: -3.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -35.333642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.333642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.333642 (E_RNA)
where:
Base-Base interactions energy: -18.313
where: short stacking energy: -8.907
Base-Backbone interact. energy: -0.012
local terms energy: -17.008968
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.254
flat angles P-C4'-P energy: -2.246
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: 5, replica: 4
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -34.095960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.095960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.095960 (E_RNA)
where:
Base-Base interactions energy: -15.377
where: short stacking energy: -15.377
Base-Backbone interact. energy: -0.000
local terms energy: -18.719097
where:
bonds (distance) C4'-P energy: -3.939
bonds (distance) P-C4' energy: -3.944
flat angles C4'-P-C4' energy: -3.603
flat angles P-C4'-P energy: -3.299
tors. eta vs tors. theta energy: -3.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -33.277468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.277468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.277468 (E_RNA)
where:
Base-Base interactions energy: -11.015
where: short stacking energy: -11.015
Base-Backbone interact. energy: -0.000
local terms energy: -22.262760
where:
bonds (distance) C4'-P energy: -3.691
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -4.099
flat angles P-C4'-P energy: -3.617
tors. eta vs tors. theta energy: -5.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -37.928874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.928874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.928874 (E_RNA)
where:
Base-Base interactions energy: -17.591
where: short stacking energy: -17.591
Base-Backbone interact. energy: -0.000
local terms energy: -20.337696
where:
bonds (distance) C4'-P energy: -3.815
bonds (distance) P-C4' energy: -3.790
flat angles C4'-P-C4' energy: -4.066
flat angles P-C4'-P energy: -3.750
tors. eta vs tors. theta energy: -4.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -24.733205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.733205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.733205 (E_RNA)
where:
Base-Base interactions energy: -9.252
where: short stacking energy: -9.252
Base-Backbone interact. energy: -0.000
local terms energy: -15.481293
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -3.131
flat angles C4'-P-C4' energy: -2.735
flat angles P-C4'-P energy: -2.993
tors. eta vs tors. theta energy: -1.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -29.144873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.144873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.144873 (E_RNA)
where:
Base-Base interactions energy: -13.314
where: short stacking energy: -13.314
Base-Backbone interact. energy: -0.000
local terms energy: -15.831329
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -3.360
flat angles C4'-P-C4' energy: -2.852
flat angles P-C4'-P energy: -3.356
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: 2
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -28.099448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.099448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.099448 (E_RNA)
where:
Base-Base interactions energy: -9.394
where: short stacking energy: -9.394
Base-Backbone interact. energy: -0.000
local terms energy: -18.705336
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.341
flat angles P-C4'-P energy: -2.974
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: 1, replica: 6
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -38.602218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.602218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.602218 (E_RNA)
where:
Base-Base interactions energy: -17.749
where: short stacking energy: -17.749
Base-Backbone interact. energy: -0.000
local terms energy: -20.853498
where:
bonds (distance) C4'-P energy: -4.332
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.470
flat angles P-C4'-P energy: -3.027
tors. eta vs tors. theta energy: -5.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -32.200151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.200151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.200151 (E_RNA)
where:
Base-Base interactions energy: -13.636
where: short stacking energy: -13.636
Base-Backbone interact. energy: -0.000
local terms energy: -18.564637
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -4.241
flat angles P-C4'-P energy: -3.127
tors. eta vs tors. theta energy: -1.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -28.743701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.743701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.743701 (E_RNA)
where:
Base-Base interactions energy: -12.649
where: short stacking energy: -12.445
Base-Backbone interact. energy: -0.000
local terms energy: -16.094445
where:
bonds (distance) C4'-P energy: -4.419
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -2.884
flat angles P-C4'-P energy: -1.545
tors. eta vs tors. theta energy: -2.153
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: 7
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -31.015155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.015155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.015155 (E_RNA)
where:
Base-Base interactions energy: -13.767
where: short stacking energy: -13.767
Base-Backbone interact. energy: -0.036
local terms energy: -17.212790
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.376
flat angles P-C4'-P energy: -3.242
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: 5, replica: 5
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -32.285332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.285332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.285332 (E_RNA)
where:
Base-Base interactions energy: -13.553
where: short stacking energy: -13.553
Base-Backbone interact. energy: -0.000
local terms energy: -18.732129
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -3.585
flat angles C4'-P-C4' energy: -4.388
flat angles P-C4'-P energy: -1.712
tors. eta vs tors. theta energy: -4.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -33.083862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.083862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.083862 (E_RNA)
where:
Base-Base interactions energy: -14.951
where: short stacking energy: -7.112
Base-Backbone interact. energy: 1.057
local terms energy: -19.189860
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.398
flat angles P-C4'-P energy: -1.994
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: 158
Temperature: 1.200000
Total energy: -28.224428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.224428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.224428 (E_RNA)
where:
Base-Base interactions energy: -7.806
where: short stacking energy: -7.806
Base-Backbone interact. energy: -0.000
local terms energy: -20.418619
where:
bonds (distance) C4'-P energy: -4.154
bonds (distance) P-C4' energy: -5.361
flat angles C4'-P-C4' energy: -4.662
flat angles P-C4'-P energy: -3.522
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: 8, replica: 1
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -28.256973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.256973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.256973 (E_RNA)
where:
Base-Base interactions energy: -12.633
where: short stacking energy: -12.633
Base-Backbone interact. energy: -0.000
local terms energy: -15.624108
where:
bonds (distance) C4'-P energy: -3.629
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -2.336
flat angles P-C4'-P energy: -1.764
tors. eta vs tors. theta energy: -2.770
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: 2
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -28.174790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.174790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.174790 (E_RNA)
where:
Base-Base interactions energy: -12.570
where: short stacking energy: -12.570
Base-Backbone interact. energy: -0.001
local terms energy: -15.603584
where:
bonds (distance) C4'-P energy: -2.387
bonds (distance) P-C4' energy: -4.581
flat angles C4'-P-C4' energy: -4.061
flat angles P-C4'-P energy: -3.575
tors. eta vs tors. theta energy: -1.000
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: 8
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -31.021077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.021077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.021077 (E_RNA)
where:
Base-Base interactions energy: -12.339
where: short stacking energy: -12.339
Base-Backbone interact. energy: -0.000
local terms energy: -18.681582
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.044
flat angles C4'-P-C4' energy: -3.959
flat angles P-C4'-P energy: -3.384
tors. eta vs tors. theta energy: -2.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -34.365942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.365942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.365942 (E_RNA)
where:
Base-Base interactions energy: -15.077
where: short stacking energy: -15.077
Base-Backbone interact. energy: -0.000
local terms energy: -19.288810
where:
bonds (distance) C4'-P energy: -3.673
bonds (distance) P-C4' energy: -4.180
flat angles C4'-P-C4' energy: -2.976
flat angles P-C4'-P energy: -3.318
tors. eta vs tors. theta energy: -5.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -30.792678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.792678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.792678 (E_RNA)
where:
Base-Base interactions energy: -12.798
where: short stacking energy: -12.798
Base-Backbone interact. energy: -0.000
local terms energy: -17.994357
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.716
flat angles P-C4'-P energy: -1.522
tors. eta vs tors. theta energy: -2.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -35.512119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.512119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.512119 (E_RNA)
where:
Base-Base interactions energy: -16.345
where: short stacking energy: -16.345
Base-Backbone interact. energy: -0.000
local terms energy: -19.166627
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -4.149
flat angles C4'-P-C4' energy: -3.606
flat angles P-C4'-P energy: -3.496
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: 4, replica: 5
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -32.154188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.154188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.154188 (E_RNA)
where:
Base-Base interactions energy: -13.390
where: short stacking energy: -13.390
Base-Backbone interact. energy: -0.000
local terms energy: -18.764476
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.774
flat angles P-C4'-P energy: -2.195
tors. eta vs tors. theta energy: -3.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -36.532972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.532972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.532972 (E_RNA)
where:
Base-Base interactions energy: -16.408
where: short stacking energy: -16.408
Base-Backbone interact. energy: -0.000
local terms energy: -20.124496
where:
bonds (distance) C4'-P energy: -1.418
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.514
flat angles P-C4'-P energy: -3.869
tors. eta vs tors. theta energy: -5.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -35.726378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.726378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.726378 (E_RNA)
where:
Base-Base interactions energy: -17.068
where: short stacking energy: -17.068
Base-Backbone interact. energy: -0.000
local terms energy: -18.658011
where:
bonds (distance) C4'-P energy: -3.691
bonds (distance) P-C4' energy: -4.575
flat angles C4'-P-C4' energy: -3.550
flat angles P-C4'-P energy: -2.324
tors. eta vs tors. theta energy: -4.518
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: 4
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -23.815440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.815440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.815440 (E_RNA)
where:
Base-Base interactions energy: -8.626
where: short stacking energy: -8.626
Base-Backbone interact. energy: -0.002
local terms energy: -15.187648
where:
bonds (distance) C4'-P energy: -3.070
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -4.557
flat angles P-C4'-P energy: -2.683
tors. eta vs tors. theta energy: 0.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -25.203560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.203560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.203560 (E_RNA)
where:
Base-Base interactions energy: -9.782
where: short stacking energy: -9.782
Base-Backbone interact. energy: -0.028
local terms energy: -15.394230
where:
bonds (distance) C4'-P energy: -2.680
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -3.836
flat angles P-C4'-P energy: -2.168
tors. eta vs tors. theta energy: -1.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -28.769378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.769378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.769378 (E_RNA)
where:
Base-Base interactions energy: -11.148
where: short stacking energy: -11.148
Base-Backbone interact. energy: -0.000
local terms energy: -17.621061
where:
bonds (distance) C4'-P energy: -3.161
bonds (distance) P-C4' energy: -4.177
flat angles C4'-P-C4' energy: -3.946
flat angles P-C4'-P energy: -2.719
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: 10, replica: 8
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -25.559661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.559661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.559661 (E_RNA)
where:
Base-Base interactions energy: -10.698
where: short stacking energy: -10.698
Base-Backbone interact. energy: -0.000
local terms energy: -14.861011
where:
bonds (distance) C4'-P energy: -2.797
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.768
flat angles P-C4'-P energy: -1.965
tors. eta vs tors. theta energy: -1.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -36.794939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.794939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.794939 (E_RNA)
where:
Base-Base interactions energy: -18.931
where: short stacking energy: -9.412
Base-Backbone interact. energy: -0.001
local terms energy: -17.863045
where:
bonds (distance) C4'-P energy: -3.566
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.533
flat angles P-C4'-P energy: -3.778
tors. eta vs tors. theta energy: -1.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -38.523780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.523780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.523780 (E_RNA)
where:
Base-Base interactions energy: -18.947
where: short stacking energy: -9.422
Base-Backbone interact. energy: -0.009
local terms energy: -19.567348
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.016
flat angles P-C4'-P energy: -3.155
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: 3, replica: 10
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -34.907728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.907728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.907728 (E_RNA)
where:
Base-Base interactions energy: -16.807
where: short stacking energy: -16.807
Base-Backbone interact. energy: -0.000
local terms energy: -18.100476
where:
bonds (distance) C4'-P energy: -2.271
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -4.139
flat angles P-C4'-P energy: -1.872
tors. eta vs tors. theta energy: -4.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -37.842255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.842255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.842255 (E_RNA)
where:
Base-Base interactions energy: -16.279
where: short stacking energy: -16.279
Base-Backbone interact. energy: -0.000
local terms energy: -21.563026
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -4.613
flat angles P-C4'-P energy: -2.527
tors. eta vs tors. theta energy: -5.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -28.831170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.831170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.831170 (E_RNA)
where:
Base-Base interactions energy: -11.643
where: short stacking energy: -11.643
Base-Backbone interact. energy: -0.002
local terms energy: -17.186499
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -3.517
flat angles P-C4'-P energy: -2.847
tors. eta vs tors. theta energy: -1.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -33.135403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.135403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.135403 (E_RNA)
where:
Base-Base interactions energy: -15.321
where: short stacking energy: -15.321
Base-Backbone interact. energy: -0.000
local terms energy: -17.814668
where:
bonds (distance) C4'-P energy: -4.038
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -2.967
flat angles P-C4'-P energy: -1.114
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: 7, replica: 2
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -32.899478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.899478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.899478 (E_RNA)
where:
Base-Base interactions energy: -14.366
where: short stacking energy: -14.366
Base-Backbone interact. energy: -0.000
local terms energy: -18.533662
where:
bonds (distance) C4'-P energy: -4.742
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -3.746
flat angles P-C4'-P energy: -1.678
tors. eta vs tors. theta energy: -3.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -27.568122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.568122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.568122 (E_RNA)
where:
Base-Base interactions energy: -10.361
where: short stacking energy: -6.523
Base-Backbone interact. energy: -0.001
local terms energy: -17.205971
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -2.969
flat angles P-C4'-P energy: -2.493
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: 9, replica: 8
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -22.054065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.054065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.054065 (E_RNA)
where:
Base-Base interactions energy: -8.974
where: short stacking energy: -8.974
Base-Backbone interact. energy: -0.055
local terms energy: -13.025140
where:
bonds (distance) C4'-P energy: -4.419
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -2.365
flat angles P-C4'-P energy: -0.863
tors. eta vs tors. theta energy: -0.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -29.738188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.738188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.738188 (E_RNA)
where:
Base-Base interactions energy: -12.439
where: short stacking energy: -12.439
Base-Backbone interact. energy: 0.974
local terms energy: -18.273348
where:
bonds (distance) C4'-P energy: -3.869
bonds (distance) P-C4' energy: -3.578
flat angles C4'-P-C4' energy: -4.592
flat angles P-C4'-P energy: -2.921
tors. eta vs tors. theta energy: -3.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -33.219608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.219608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.219608 (E_RNA)
where:
Base-Base interactions energy: -12.986
where: short stacking energy: -12.986
Base-Backbone interact. energy: -0.000
local terms energy: -20.233584
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -4.006
flat angles P-C4'-P energy: -3.071
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: 2, replica: 6
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -30.153647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.153647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.153647 (E_RNA)
where:
Base-Base interactions energy: -10.639
where: short stacking energy: -10.639
Base-Backbone interact. energy: -0.000
local terms energy: -19.515038
where:
bonds (distance) C4'-P energy: -4.419
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -3.635
flat angles P-C4'-P energy: -2.341
tors. eta vs tors. theta energy: -4.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -28.821304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.821304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.821304 (E_RNA)
where:
Base-Base interactions energy: -12.376
where: short stacking energy: -9.248
Base-Backbone interact. energy: -0.032
local terms energy: -16.413218
where:
bonds (distance) C4'-P energy: -3.264
bonds (distance) P-C4' energy: -4.572
flat angles C4'-P-C4' energy: -4.324
flat angles P-C4'-P energy: -2.541
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: 4, replica: 5
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -30.805468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.805468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.805468 (E_RNA)
where:
Base-Base interactions energy: -13.001
where: short stacking energy: -13.001
Base-Backbone interact. energy: -0.000
local terms energy: -17.804396
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.459
flat angles P-C4'-P energy: -1.821
tors. eta vs tors. theta energy: -3.123
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: 5, replica: 9
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -26.789276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.789276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.789276 (E_RNA)
where:
Base-Base interactions energy: -7.880
where: short stacking energy: -7.880
Base-Backbone interact. energy: -0.000
local terms energy: -18.909524
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -4.174
flat angles C4'-P-C4' energy: -3.806
flat angles P-C4'-P energy: -3.177
tors. eta vs tors. theta energy: -3.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -27.142147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.142147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.142147 (E_RNA)
where:
Base-Base interactions energy: -10.825
where: short stacking energy: -10.825
Base-Backbone interact. energy: -0.014
local terms energy: -16.303669
where:
bonds (distance) C4'-P energy: -3.306
bonds (distance) P-C4' energy: -4.867
flat angles C4'-P-C4' energy: -3.074
flat angles P-C4'-P energy: -3.075
tors. eta vs tors. theta energy: -1.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -32.098155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.098155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.098155 (E_RNA)
where:
Base-Base interactions energy: -13.555
where: short stacking energy: -13.555
Base-Backbone interact. energy: -0.000
local terms energy: -18.543003
where:
bonds (distance) C4'-P energy: -3.459
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.816
flat angles P-C4'-P energy: -2.661
tors. eta vs tors. theta energy: -3.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -29.693511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.693511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.693511 (E_RNA)
where:
Base-Base interactions energy: -9.972
where: short stacking energy: -9.972
Base-Backbone interact. energy: -0.000
local terms energy: -19.721479
where:
bonds (distance) C4'-P energy: -3.637
bonds (distance) P-C4' energy: -4.600
flat angles C4'-P-C4' energy: -4.752
flat angles P-C4'-P energy: -3.056
tors. eta vs tors. theta energy: -3.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -25.336165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.336165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.336165 (E_RNA)
where:
Base-Base interactions energy: -7.295
where: short stacking energy: -7.295
Base-Backbone interact. energy: -0.001
local terms energy: -18.040295
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -2.638
flat angles P-C4'-P energy: -3.765
tors. eta vs tors. theta energy: -2.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -24.168996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.168996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.168996 (E_RNA)
where:
Base-Base interactions energy: -8.452
where: short stacking energy: -8.452
Base-Backbone interact. energy: -0.000
local terms energy: -15.716578
where:
bonds (distance) C4'-P energy: -3.344
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.044
flat angles P-C4'-P energy: -2.419
tors. eta vs tors. theta energy: -0.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -37.383674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.383674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.383674 (E_RNA)
where:
Base-Base interactions energy: -16.545
where: short stacking energy: -16.545
Base-Backbone interact. energy: -0.000
local terms energy: -20.838480
where:
bonds (distance) C4'-P energy: -3.363
bonds (distance) P-C4' energy: -3.656
flat angles C4'-P-C4' energy: -4.557
flat angles P-C4'-P energy: -4.021
tors. eta vs tors. theta energy: -5.242
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: 3
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -35.514594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.514594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.514594 (E_RNA)
where:
Base-Base interactions energy: -15.477
where: short stacking energy: -13.256
Base-Backbone interact. energy: -1.020
local terms energy: -19.017668
where:
bonds (distance) C4'-P energy: -3.939
bonds (distance) P-C4' energy: -4.579
flat angles C4'-P-C4' energy: -3.612
flat angles P-C4'-P energy: -3.374
tors. eta vs tors. theta energy: -3.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -37.438605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.438605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.438605 (E_RNA)
where:
Base-Base interactions energy: -16.085
where: short stacking energy: -16.085
Base-Backbone interact. energy: -0.000
local terms energy: -21.353330
where:
bonds (distance) C4'-P energy: -3.185
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.376
flat angles P-C4'-P energy: -3.816
tors. eta vs tors. theta energy: -4.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -32.301503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.301503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.301503 (E_RNA)
where:
Base-Base interactions energy: -15.899
where: short stacking energy: -15.899
Base-Backbone interact. energy: -0.000
local terms energy: -16.402391
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -3.751
flat angles C4'-P-C4' energy: -3.937
flat angles P-C4'-P energy: -0.493
tors. eta vs tors. theta energy: -3.695
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: 5, replica: 2
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -30.036725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.036725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.036725 (E_RNA)
where:
Base-Base interactions energy: -12.449
where: short stacking energy: -12.449
Base-Backbone interact. energy: -0.001
local terms energy: -17.587117
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.478
flat angles P-C4'-P energy: -3.021
tors. eta vs tors. theta energy: -1.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -29.498248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.498248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.498248 (E_RNA)
where:
Base-Base interactions energy: -10.363
where: short stacking energy: -10.363
Base-Backbone interact. energy: -0.000
local terms energy: -19.135559
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -2.585
flat angles P-C4'-P energy: -2.960
tors. eta vs tors. theta energy: -3.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -31.577309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.577309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.577309 (E_RNA)
where:
Base-Base interactions energy: -12.241
where: short stacking energy: -12.241
Base-Backbone interact. energy: -0.000
local terms energy: -19.336209
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -4.614
flat angles P-C4'-P energy: -1.731
tors. eta vs tors. theta energy: -3.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -30.820405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.820405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.820405 (E_RNA)
where:
Base-Base interactions energy: -13.465
where: short stacking energy: -13.465
Base-Backbone interact. energy: -0.000
local terms energy: -17.355427
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -3.723
flat angles C4'-P-C4' energy: -3.068
flat angles P-C4'-P energy: -3.235
tors. eta vs tors. theta energy: -3.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -29.460603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.460603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.460603 (E_RNA)
where:
Base-Base interactions energy: -11.771
where: short stacking energy: -11.771
Base-Backbone interact. energy: -0.000
local terms energy: -17.689489
where:
bonds (distance) C4'-P energy: -2.518
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -4.422
flat angles P-C4'-P energy: -3.078
tors. eta vs tors. theta energy: -3.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -26.404618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.404618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.404618 (E_RNA)
where:
Base-Base interactions energy: -10.413
where: short stacking energy: -10.413
Base-Backbone interact. energy: -0.000
local terms energy: -15.991760
where:
bonds (distance) C4'-P energy: -3.152
bonds (distance) P-C4' energy: -5.128
flat angles C4'-P-C4' energy: -1.535
flat angles P-C4'-P energy: -2.326
tors. eta vs tors. theta energy: -3.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -38.637571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.637571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.637571 (E_RNA)
where:
Base-Base interactions energy: -17.170
where: short stacking energy: -17.170
Base-Backbone interact. energy: -0.000
local terms energy: -21.467753
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -3.815
flat angles C4'-P-C4' energy: -4.717
flat angles P-C4'-P energy: -3.441
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: 2, replica: 3
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -35.986199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.986199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.986199 (E_RNA)
where:
Base-Base interactions energy: -16.726
where: short stacking energy: -16.726
Base-Backbone interact. energy: -0.000
local terms energy: -19.260536
where:
bonds (distance) C4'-P energy: -4.038
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.972
flat angles P-C4'-P energy: -2.417
tors. eta vs tors. theta energy: -3.482
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: 3, replica: 5
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -31.621431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.621431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.621431 (E_RNA)
where:
Base-Base interactions energy: -12.196
where: short stacking energy: -12.196
Base-Backbone interact. energy: -0.000
local terms energy: -19.424930
where:
bonds (distance) C4'-P energy: -4.332
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.328
flat angles P-C4'-P energy: -2.783
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: 4, replica: 2
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -28.239242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.239242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.239242 (E_RNA)
where:
Base-Base interactions energy: -10.664
where: short stacking energy: -10.664
Base-Backbone interact. energy: -0.015
local terms energy: -17.559884
where:
bonds (distance) C4'-P energy: -3.384
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -3.139
flat angles P-C4'-P energy: -3.245
tors. eta vs tors. theta energy: -2.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -26.557117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.557117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.557117 (E_RNA)
where:
Base-Base interactions energy: -12.442
where: short stacking energy: -11.562
Base-Backbone interact. energy: -0.041
local terms energy: -14.074753
where:
bonds (distance) C4'-P energy: -3.637
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -2.499
flat angles P-C4'-P energy: -2.933
tors. eta vs tors. theta energy: -0.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -27.426433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.426433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.426433 (E_RNA)
where:
Base-Base interactions energy: -13.950
where: short stacking energy: -9.899
Base-Backbone interact. energy: 0.561
local terms energy: -14.036889
where:
bonds (distance) C4'-P energy: -3.372
bonds (distance) P-C4' energy: -4.674
flat angles C4'-P-C4' energy: -2.118
flat angles P-C4'-P energy: -3.023
tors. eta vs tors. theta energy: -0.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -28.554684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.554684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.554684 (E_RNA)
where:
Base-Base interactions energy: -12.666
where: short stacking energy: -12.666
Base-Backbone interact. energy: -0.006
local terms energy: -15.882591
where:
bonds (distance) C4'-P energy: -2.962
bonds (distance) P-C4' energy: -4.631
flat angles C4'-P-C4' energy: -4.084
flat angles P-C4'-P energy: -2.608
tors. eta vs tors. theta energy: -1.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -29.365263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.365263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.365263 (E_RNA)
where:
Base-Base interactions energy: -16.276
where: short stacking energy: -16.276
Base-Backbone interact. energy: -0.000
local terms energy: -13.089076
where:
bonds (distance) C4'-P energy: -3.301
bonds (distance) P-C4' energy: -1.349
flat angles C4'-P-C4' energy: -3.341
flat angles P-C4'-P energy: -2.177
tors. eta vs tors. theta energy: -2.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -25.655961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.655961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.655961 (E_RNA)
where:
Base-Base interactions energy: -12.904
where: short stacking energy: -12.904
Base-Backbone interact. energy: 0.073
local terms energy: -12.824815
where:
bonds (distance) C4'-P energy: -2.892
bonds (distance) P-C4' energy: -1.694
flat angles C4'-P-C4' energy: -4.061
flat angles P-C4'-P energy: -2.398
tors. eta vs tors. theta energy: -1.780
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: 4
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -25.140086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.140086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.140086 (E_RNA)
where:
Base-Base interactions energy: -8.196
where: short stacking energy: -8.196
Base-Backbone interact. energy: -0.058
local terms energy: -16.886250
where:
bonds (distance) C4'-P energy: -4.038
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -3.530
flat angles P-C4'-P energy: -3.425
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: 3
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -38.303419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.303419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.303419 (E_RNA)
where:
Base-Base interactions energy: -17.057
where: short stacking energy: -17.057
Base-Backbone interact. energy: -0.000
local terms energy: -21.246840
where:
bonds (distance) C4'-P energy: -4.154
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -4.801
flat angles P-C4'-P energy: -3.817
tors. eta vs tors. theta energy: -3.810
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: 6
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -33.764013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.764013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.764013 (E_RNA)
where:
Base-Base interactions energy: -12.677
where: short stacking energy: -12.677
Base-Backbone interact. energy: -0.000
local terms energy: -21.087038
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -3.830
flat angles P-C4'-P energy: -3.241
tors. eta vs tors. theta energy: -4.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -29.843412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.843412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.843412 (E_RNA)
where:
Base-Base interactions energy: -14.180
where: short stacking energy: -9.465
Base-Backbone interact. energy: -0.006
local terms energy: -15.656625
where:
bonds (distance) C4'-P energy: -1.852
bonds (distance) P-C4' energy: -4.177
flat angles C4'-P-C4' energy: -4.343
flat angles P-C4'-P energy: -1.922
tors. eta vs tors. theta energy: -3.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -33.380470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.380470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.380470 (E_RNA)
where:
Base-Base interactions energy: -15.369
where: short stacking energy: -8.899
Base-Backbone interact. energy: 0.775
local terms energy: -18.786295
where:
bonds (distance) C4'-P energy: -4.303
bonds (distance) P-C4' energy: -4.103
flat angles C4'-P-C4' energy: -3.851
flat angles P-C4'-P energy: -3.072
tors. eta vs tors. theta energy: -3.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -30.487391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.487391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.487391 (E_RNA)
where:
Base-Base interactions energy: -11.964
where: short stacking energy: -11.964
Base-Backbone interact. energy: -0.006
local terms energy: -18.517414
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.468
flat angles P-C4'-P energy: -2.469
tors. eta vs tors. theta energy: -2.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -29.429764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.429764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.429764 (E_RNA)
where:
Base-Base interactions energy: -12.923
where: short stacking energy: -12.923
Base-Backbone interact. energy: -0.000
local terms energy: -16.506684
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.649
flat angles C4'-P-C4' energy: -3.819
flat angles P-C4'-P energy: -2.207
tors. eta vs tors. theta energy: -1.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -27.839621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.839621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.839621 (E_RNA)
where:
Base-Base interactions energy: -10.199
where: short stacking energy: -3.514
Base-Backbone interact. energy: -0.005
local terms energy: -17.635850
where:
bonds (distance) C4'-P energy: -3.566
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.614
flat angles P-C4'-P energy: -2.355
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: 8, replica: 9
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -24.431926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.431926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.431926 (E_RNA)
where:
Base-Base interactions energy: -8.963
where: short stacking energy: -8.963
Base-Backbone interact. energy: -0.023
local terms energy: -15.446786
where:
bonds (distance) C4'-P energy: -3.773
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -2.167
flat angles P-C4'-P energy: -3.376
tors. eta vs tors. theta energy: -1.013
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: 4
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -29.378924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.378924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.378924 (E_RNA)
where:
Base-Base interactions energy: -12.124
where: short stacking energy: -12.124
Base-Backbone interact. energy: -0.000
local terms energy: -17.255144
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -3.981
flat angles C4'-P-C4' energy: -4.080
flat angles P-C4'-P energy: -1.572
tors. eta vs tors. theta energy: -3.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -23.873601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.873601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.873601 (E_RNA)
where:
Base-Base interactions energy: -9.041
where: short stacking energy: -9.041
Base-Backbone interact. energy: -0.000
local terms energy: -14.832592
where:
bonds (distance) C4'-P energy: -3.152
bonds (distance) P-C4' energy: -3.364
flat angles C4'-P-C4' energy: -2.641
flat angles P-C4'-P energy: -2.874
tors. eta vs tors. theta energy: -2.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -35.921247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.921247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.921247 (E_RNA)
where:
Base-Base interactions energy: -15.650
where: short stacking energy: -15.650
Base-Backbone interact. energy: -0.000
local terms energy: -20.271622
where:
bonds (distance) C4'-P energy: -3.923
bonds (distance) P-C4' energy: -5.128
flat angles C4'-P-C4' energy: -3.979
flat angles P-C4'-P energy: -3.825
tors. eta vs tors. theta energy: -3.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -34.146128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.146128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.146128 (E_RNA)
where:
Base-Base interactions energy: -14.151
where: short stacking energy: -14.151
Base-Backbone interact. energy: -0.000
local terms energy: -19.994686
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -4.736
flat angles P-C4'-P energy: -3.274
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: 3, replica: 6
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -31.736501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.736501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.736501 (E_RNA)
where:
Base-Base interactions energy: -12.830
where: short stacking energy: -12.830
Base-Backbone interact. energy: -0.000
local terms energy: -18.905964
where:
bonds (distance) C4'-P energy: -2.130
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.711
flat angles P-C4'-P energy: -3.661
tors. eta vs tors. theta energy: -4.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -31.033466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.033466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.033466 (E_RNA)
where:
Base-Base interactions energy: -14.423
where: short stacking energy: -14.423
Base-Backbone interact. energy: -0.000
local terms energy: -16.610024
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -3.811
flat angles C4'-P-C4' energy: -3.337
flat angles P-C4'-P energy: -1.593
tors. eta vs tors. theta energy: -3.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -30.410152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.410152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.410152 (E_RNA)
where:
Base-Base interactions energy: -12.363
where: short stacking energy: -12.363
Base-Backbone interact. energy: -0.000
local terms energy: -18.047437
where:
bonds (distance) C4'-P energy: -1.439
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.200
flat angles P-C4'-P energy: -3.750
tors. eta vs tors. theta energy: -3.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -27.725063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.725063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.725063 (E_RNA)
where:
Base-Base interactions energy: -9.665
where: short stacking energy: -9.665
Base-Backbone interact. energy: -0.000
local terms energy: -18.060217
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.378
flat angles P-C4'-P energy: -2.408
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: 10
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -26.811224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.811224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.811224 (E_RNA)
where:
Base-Base interactions energy: -7.483
where: short stacking energy: -7.483
Base-Backbone interact. energy: -0.002
local terms energy: -19.327105
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.324
flat angles P-C4'-P energy: -4.117
tors. eta vs tors. theta energy: -1.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -26.509571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.509571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.509571 (E_RNA)
where:
Base-Base interactions energy: -11.512
where: short stacking energy: -11.512
Base-Backbone interact. energy: -0.000
local terms energy: -14.997309
where:
bonds (distance) C4'-P energy: -1.861
bonds (distance) P-C4' energy: -4.410
flat angles C4'-P-C4' energy: -4.570
flat angles P-C4'-P energy: -2.376
tors. eta vs tors. theta energy: -1.781
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: 9
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -29.783752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.783752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.783752 (E_RNA)
where:
Base-Base interactions energy: -11.918
where: short stacking energy: -11.918
Base-Backbone interact. energy: -0.000
local terms energy: -17.865452
where:
bonds (distance) C4'-P energy: -1.835
bonds (distance) P-C4' energy: -4.202
flat angles C4'-P-C4' energy: -4.452
flat angles P-C4'-P energy: -3.362
tors. eta vs tors. theta energy: -4.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -34.196038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.196038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.196038 (E_RNA)
where:
Base-Base interactions energy: -15.862
where: short stacking energy: -15.862
Base-Backbone interact. energy: -0.000
local terms energy: -18.333861
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -4.174
flat angles C4'-P-C4' energy: -3.185
flat angles P-C4'-P energy: -3.105
tors. eta vs tors. theta energy: -3.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -39.575693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.575693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.575693 (E_RNA)
where:
Base-Base interactions energy: -17.487
where: short stacking energy: -17.487
Base-Backbone interact. energy: -0.000
local terms energy: -22.088739
where:
bonds (distance) C4'-P energy: -4.303
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.904
flat angles P-C4'-P energy: -3.672
tors. eta vs tors. theta energy: -5.092
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: 2, replica: 5
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -30.120442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.120442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.120442 (E_RNA)
where:
Base-Base interactions energy: -12.618
where: short stacking energy: -11.852
Base-Backbone interact. energy: -0.001
local terms energy: -17.501362
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -4.595
flat angles P-C4'-P energy: -1.065
tors. eta vs tors. theta energy: -3.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -35.097063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.097063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.097063 (E_RNA)
where:
Base-Base interactions energy: -17.430
where: short stacking energy: -17.430
Base-Backbone interact. energy: -0.000
local terms energy: -17.666674
where:
bonds (distance) C4'-P energy: -3.815
bonds (distance) P-C4' energy: -4.156
flat angles C4'-P-C4' energy: -3.410
flat angles P-C4'-P energy: -2.509
tors. eta vs tors. theta energy: -3.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -37.946035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.946035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.946035 (E_RNA)
where:
Base-Base interactions energy: -17.888
where: short stacking energy: -17.888
Base-Backbone interact. energy: -0.000
local terms energy: -20.057843
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -4.311
flat angles C4'-P-C4' energy: -4.402
flat angles P-C4'-P energy: -3.126
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: 5, replica: 1
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -26.724389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.724389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.724389 (E_RNA)
where:
Base-Base interactions energy: -8.637
where: short stacking energy: -8.637
Base-Backbone interact. energy: -0.013
local terms energy: -18.074161
where:
bonds (distance) C4'-P energy: -3.753
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -2.864
flat angles P-C4'-P energy: -2.668
tors. eta vs tors. theta energy: -3.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -26.714468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.714468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.714468 (E_RNA)
where:
Base-Base interactions energy: -8.435
where: short stacking energy: -8.435
Base-Backbone interact. energy: -0.000
local terms energy: -18.278799
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -4.406
flat angles C4'-P-C4' energy: -4.594
flat angles P-C4'-P energy: -1.533
tors. eta vs tors. theta energy: -3.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -27.465688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.465688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.465688 (E_RNA)
where:
Base-Base interactions energy: -10.804
where: short stacking energy: -10.804
Base-Backbone interact. energy: -0.001
local terms energy: -16.661252
where:
bonds (distance) C4'-P energy: -3.078
bonds (distance) P-C4' energy: -4.674
flat angles C4'-P-C4' energy: -3.400
flat angles P-C4'-P energy: -1.077
tors. eta vs tors. theta energy: -4.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -25.886286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.886286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.886286 (E_RNA)
where:
Base-Base interactions energy: -9.926
where: short stacking energy: -9.926
Base-Backbone interact. energy: -0.000
local terms energy: -15.959888
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -2.001
flat angles P-C4'-P energy: -2.533
tors. eta vs tors. theta energy: -1.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -25.615521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.615521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.615521 (E_RNA)
where:
Base-Base interactions energy: -7.429
where: short stacking energy: -7.429
Base-Backbone interact. energy: -0.000
local terms energy: -18.186450
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.207
flat angles P-C4'-P energy: -2.147
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: 10, replica: 7
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -24.598665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.598665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.598665 (E_RNA)
where:
Base-Base interactions energy: -11.192
where: short stacking energy: -11.192
Base-Backbone interact. energy: -0.029
local terms energy: -13.377694
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -2.296
flat angles C4'-P-C4' energy: -3.821
flat angles P-C4'-P energy: -0.216
tors. eta vs tors. theta energy: -2.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -37.266103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.266103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.266103 (E_RNA)
where:
Base-Base interactions energy: -17.308
where: short stacking energy: -17.308
Base-Backbone interact. energy: -0.000
local terms energy: -19.957914
where:
bonds (distance) C4'-P energy: -3.923
bonds (distance) P-C4' energy: -3.656
flat angles C4'-P-C4' energy: -4.799
flat angles P-C4'-P energy: -3.560
tors. eta vs tors. theta energy: -4.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -33.333720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.333720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.333720 (E_RNA)
where:
Base-Base interactions energy: -14.333
where: short stacking energy: -14.333
Base-Backbone interact. energy: -0.000
local terms energy: -19.000457
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -3.578
flat angles C4'-P-C4' energy: -4.186
flat angles P-C4'-P energy: -2.624
tors. eta vs tors. theta energy: -3.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -32.638882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.638882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.638882 (E_RNA)
where:
Base-Base interactions energy: -12.778
where: short stacking energy: -12.778
Base-Backbone interact. energy: -0.000
local terms energy: -19.861294
where:
bonds (distance) C4'-P energy: -4.427
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.235
flat angles P-C4'-P energy: -3.617
tors. eta vs tors. theta energy: -3.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -30.116760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.116760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.116760 (E_RNA)
where:
Base-Base interactions energy: -13.258
where: short stacking energy: -13.258
Base-Backbone interact. energy: -0.002
local terms energy: -16.856723
where:
bonds (distance) C4'-P energy: -2.387
bonds (distance) P-C4' energy: -3.790
flat angles C4'-P-C4' energy: -3.308
flat angles P-C4'-P energy: -3.747
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: 5, replica: 8
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -32.693199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.693199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.693199 (E_RNA)
where:
Base-Base interactions energy: -12.592
where: short stacking energy: -12.592
Base-Backbone interact. energy: -0.000
local terms energy: -20.101143
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -2.874
flat angles P-C4'-P energy: -2.851
tors. eta vs tors. theta energy: -4.764
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: 6, replica: 4
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -29.667819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.667819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.667819 (E_RNA)
where:
Base-Base interactions energy: -9.856
where: short stacking energy: -9.856
Base-Backbone interact. energy: -0.000
local terms energy: -19.812099
where:
bonds (distance) C4'-P energy: -3.691
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.306
flat angles P-C4'-P energy: -2.840
tors. eta vs tors. theta energy: -3.621
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: 7, replica: 2
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -25.081661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.081661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.081661 (E_RNA)
where:
Base-Base interactions energy: -10.478
where: short stacking energy: -10.478
Base-Backbone interact. energy: -0.001
local terms energy: -14.602925
where:
bonds (distance) C4'-P energy: -0.548
bonds (distance) P-C4' energy: -4.867
flat angles C4'-P-C4' energy: -3.015
flat angles P-C4'-P energy: -2.970
tors. eta vs tors. theta energy: -3.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -27.542998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.542998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.542998 (E_RNA)
where:
Base-Base interactions energy: -10.754
where: short stacking energy: -10.754
Base-Backbone interact. energy: -0.092
local terms energy: -16.696525
where:
bonds (distance) C4'-P energy: -4.634
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.444
flat angles P-C4'-P energy: -0.981
tors. eta vs tors. theta energy: -2.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -27.441455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.441455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.441455 (E_RNA)
where:
Base-Base interactions energy: -9.307
where: short stacking energy: -9.307
Base-Backbone interact. energy: -0.042
local terms energy: -18.092441
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -4.123
flat angles P-C4'-P energy: -4.043
tors. eta vs tors. theta energy: -0.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -24.959006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.959006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.959006 (E_RNA)
where:
Base-Base interactions energy: -8.972
where: short stacking energy: -8.972
Base-Backbone interact. energy: 0.516
local terms energy: -16.503478
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -3.315
flat angles C4'-P-C4' energy: -4.130
flat angles P-C4'-P energy: -2.405
tors. eta vs tors. theta energy: -2.127
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: 1, replica: 3
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -29.084662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.084662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.084662 (E_RNA)
where:
Base-Base interactions energy: -12.151
where: short stacking energy: -12.151
Base-Backbone interact. energy: -0.059
local terms energy: -16.874640
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.321
flat angles P-C4'-P energy: -2.778
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: 2, replica: 6
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -35.249485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.249485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.249485 (E_RNA)
where:
Base-Base interactions energy: -17.159
where: short stacking energy: -17.159
Base-Backbone interact. energy: -0.000
local terms energy: -18.090494
where:
bonds (distance) C4'-P energy: -2.804
bonds (distance) P-C4' energy: -4.417
flat angles C4'-P-C4' energy: -3.772
flat angles P-C4'-P energy: -3.259
tors. eta vs tors. theta energy: -3.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -33.674931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.674931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.674931 (E_RNA)
where:
Base-Base interactions energy: -14.346
where: short stacking energy: -14.346
Base-Backbone interact. energy: -0.000
local terms energy: -19.328983
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -4.413
flat angles C4'-P-C4' energy: -3.504
flat angles P-C4'-P energy: -3.987
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: 4, replica: 5
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -37.680750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.680750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.680750 (E_RNA)
where:
Base-Base interactions energy: -17.401
where: short stacking energy: -17.401
Base-Backbone interact. energy: -0.000
local terms energy: -20.279274
where:
bonds (distance) C4'-P energy: -4.303
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -3.977
flat angles P-C4'-P energy: -2.730
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: 5, replica: 4
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -32.647914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.647914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.647914 (E_RNA)
where:
Base-Base interactions energy: -14.509
where: short stacking energy: -14.509
Base-Backbone interact. energy: -0.000
local terms energy: -18.138680
where:
bonds (distance) C4'-P energy: -1.960
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.466
flat angles P-C4'-P energy: -3.559
tors. eta vs tors. theta energy: -3.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -31.944689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.944689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.944689 (E_RNA)
where:
Base-Base interactions energy: -12.237
where: short stacking energy: -12.237
Base-Backbone interact. energy: -0.000
local terms energy: -19.708182
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -3.597
flat angles P-C4'-P energy: -3.843
tors. eta vs tors. theta energy: -3.551
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: 9
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -31.081463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.081463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.081463 (E_RNA)
where:
Base-Base interactions energy: -11.422
where: short stacking energy: -11.422
Base-Backbone interact. energy: -0.000
local terms energy: -19.659764
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -3.941
flat angles C4'-P-C4' energy: -4.218
flat angles P-C4'-P energy: -3.715
tors. eta vs tors. theta energy: -3.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -26.741347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.741347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.741347 (E_RNA)
where:
Base-Base interactions energy: -11.402
where: short stacking energy: -11.402
Base-Backbone interact. energy: -0.000
local terms energy: -15.339684
where:
bonds (distance) C4'-P energy: -2.796
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -2.340
flat angles P-C4'-P energy: -2.277
tors. eta vs tors. theta energy: -3.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -27.421235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.421235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.421235 (E_RNA)
where:
Base-Base interactions energy: -12.029
where: short stacking energy: -12.029
Base-Backbone interact. energy: -0.043
local terms energy: -15.349372
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -3.103
flat angles C4'-P-C4' energy: -4.157
flat angles P-C4'-P energy: -2.121
tors. eta vs tors. theta energy: -1.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -28.199385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.199385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.199385 (E_RNA)
where:
Base-Base interactions energy: -12.896
where: short stacking energy: -12.896
Base-Backbone interact. energy: -0.001
local terms energy: -15.302752
where:
bonds (distance) C4'-P energy: -2.006
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -4.388
flat angles P-C4'-P energy: -3.264
tors. eta vs tors. theta energy: -0.975
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: 3
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -40.445926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.445926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.445926 (E_RNA)
where:
Base-Base interactions energy: -18.168
where: short stacking energy: -18.168
Base-Backbone interact. energy: -0.000
local terms energy: -22.277724
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.649
flat angles C4'-P-C4' energy: -4.555
flat angles P-C4'-P energy: -3.666
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: 2, replica: 6
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -34.303056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.303056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.303056 (E_RNA)
where:
Base-Base interactions energy: -16.596
where: short stacking energy: -16.596
Base-Backbone interact. energy: -0.000
local terms energy: -17.707327
where:
bonds (distance) C4'-P energy: -2.697
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -3.709
flat angles P-C4'-P energy: -3.607
tors. eta vs tors. theta energy: -3.260
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: 1
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -29.674020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.674020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.674020 (E_RNA)
where:
Base-Base interactions energy: -10.077
where: short stacking energy: -10.077
Base-Backbone interact. energy: -0.000
local terms energy: -19.597359
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.271
flat angles P-C4'-P energy: -2.345
tors. eta vs tors. theta energy: -3.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -31.657020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.657020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.657020 (E_RNA)
where:
Base-Base interactions energy: -14.276
where: short stacking energy: -14.276
Base-Backbone interact. energy: -0.000
local terms energy: -17.380973
where:
bonds (distance) C4'-P energy: -2.564
bonds (distance) P-C4' energy: -4.867
flat angles C4'-P-C4' energy: -3.430
flat angles P-C4'-P energy: -1.834
tors. eta vs tors. theta energy: -4.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -26.027807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.027807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.027807 (E_RNA)
where:
Base-Base interactions energy: -9.874
where: short stacking energy: -9.874
Base-Backbone interact. energy: -0.000
local terms energy: -16.154229
where:
bonds (distance) C4'-P energy: -3.541
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.555
flat angles P-C4'-P energy: -1.820
tors. eta vs tors. theta energy: -2.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -30.206963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.206963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.206963 (E_RNA)
where:
Base-Base interactions energy: -12.959
where: short stacking energy: -12.959
Base-Backbone interact. energy: -0.000
local terms energy: -17.248231
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -3.818
flat angles C4'-P-C4' energy: -4.118
flat angles P-C4'-P energy: -1.534
tors. eta vs tors. theta energy: -4.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -29.642771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.642771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.642771 (E_RNA)
where:
Base-Base interactions energy: -12.462
where: short stacking energy: -12.462
Base-Backbone interact. energy: -0.000
local terms energy: -17.180814
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -2.383
flat angles C4'-P-C4' energy: -4.364
flat angles P-C4'-P energy: -3.016
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: 8, replica: 7
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -25.966935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.966935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.966935 (E_RNA)
where:
Base-Base interactions energy: -11.644
where: short stacking energy: -11.644
Base-Backbone interact. energy: -0.002
local terms energy: -14.320703
where:
bonds (distance) C4'-P energy: -2.672
bonds (distance) P-C4' energy: -3.096
flat angles C4'-P-C4' energy: -3.751
flat angles P-C4'-P energy: -2.511
tors. eta vs tors. theta energy: -2.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -26.264244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.264244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.264244 (E_RNA)
where:
Base-Base interactions energy: -6.964
where: short stacking energy: -7.664
Base-Backbone interact. energy: -0.045
local terms energy: -19.255460
where:
bonds (distance) C4'-P energy: -3.016
bonds (distance) P-C4' energy: -4.572
flat angles C4'-P-C4' energy: -4.574
flat angles P-C4'-P energy: -3.835
tors. eta vs tors. theta energy: -3.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -32.646580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.646580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.646580 (E_RNA)
where:
Base-Base interactions energy: -12.442
where: short stacking energy: -12.442
Base-Backbone interact. energy: -0.000
local terms energy: -20.204799
where:
bonds (distance) C4'-P energy: -3.566
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -3.710
flat angles P-C4'-P energy: -2.932
tors. eta vs tors. theta energy: -4.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -37.752136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.752136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.752136 (E_RNA)
where:
Base-Base interactions energy: -15.562
where: short stacking energy: -15.562
Base-Backbone interact. energy: -0.000
local terms energy: -22.190193
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -4.534
flat angles P-C4'-P energy: -3.419
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: 2, replica: 6
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -39.193810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.193810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.193810 (E_RNA)
where:
Base-Base interactions energy: -17.980
where: short stacking energy: -17.980
Base-Backbone interact. energy: -0.000
local terms energy: -21.213623
where:
bonds (distance) C4'-P energy: -4.303
bonds (distance) P-C4' energy: -4.892
flat angles C4'-P-C4' energy: -3.503
flat angles P-C4'-P energy: -2.976
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: 3, replica: 4
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -33.032443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.032443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.032443 (E_RNA)
where:
Base-Base interactions energy: -12.990
where: short stacking energy: -12.990
Base-Backbone interact. energy: -0.001
local terms energy: -20.040817
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.993
flat angles P-C4'-P energy: -3.479
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: 4, replica: 1
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -33.965118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.965118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.965118 (E_RNA)
where:
Base-Base interactions energy: -13.368
where: short stacking energy: -13.368
Base-Backbone interact. energy: -0.000
local terms energy: -20.597282
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -4.167
flat angles P-C4'-P energy: -3.008
tors. eta vs tors. theta energy: -3.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -25.568841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.568841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.568841 (E_RNA)
where:
Base-Base interactions energy: -9.932
where: short stacking energy: -9.932
Base-Backbone interact. energy: -0.000
local terms energy: -15.636434
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -3.727
flat angles P-C4'-P energy: -0.604
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: 6, replica: 5
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -26.168041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.168041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.168041 (E_RNA)
where:
Base-Base interactions energy: -11.039
where: short stacking energy: -11.039
Base-Backbone interact. energy: -0.000
local terms energy: -15.129148
where:
bonds (distance) C4'-P energy: -3.363
bonds (distance) P-C4' energy: -3.578
flat angles C4'-P-C4' energy: -3.695
flat angles P-C4'-P energy: -2.570
tors. eta vs tors. theta energy: -1.923
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: 7
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -25.144183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.144183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.144183 (E_RNA)
where:
Base-Base interactions energy: -8.115
where: short stacking energy: -8.115
Base-Backbone interact. energy: -0.001
local terms energy: -17.028989
where:
bonds (distance) C4'-P energy: -2.308
bonds (distance) P-C4' energy: -4.628
flat angles C4'-P-C4' energy: -4.467
flat angles P-C4'-P energy: -2.644
tors. eta vs tors. theta energy: -2.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -31.610978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.610978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.610978 (E_RNA)
where:
Base-Base interactions energy: -14.655
where: short stacking energy: -7.741
Base-Backbone interact. energy: 0.163
local terms energy: -17.118444
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.172
flat angles P-C4'-P energy: -2.513
tors. eta vs tors. theta energy: -1.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -27.692101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.692101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.692101 (E_RNA)
where:
Base-Base interactions energy: -11.003
where: short stacking energy: -11.003
Base-Backbone interact. energy: -0.000
local terms energy: -16.689218
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -0.663
flat angles P-C4'-P energy: -3.081
tors. eta vs tors. theta energy: -4.407
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: 2
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -23.046820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.046820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.046820 (E_RNA)
where:
Base-Base interactions energy: -8.881
where: short stacking energy: -8.881
Base-Backbone interact. energy: -0.000
local terms energy: -14.166188
where:
bonds (distance) C4'-P energy: -2.962
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -4.148
flat angles P-C4'-P energy: -2.260
tors. eta vs tors. theta energy: -0.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -36.241994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.241994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.241994 (E_RNA)
where:
Base-Base interactions energy: -17.018
where: short stacking energy: -17.018
Base-Backbone interact. energy: -0.000
local terms energy: -19.224232
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -3.608
flat angles P-C4'-P energy: -2.789
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: 2, replica: 6
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -38.309028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.309028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.309028 (E_RNA)
where:
Base-Base interactions energy: -17.831
where: short stacking energy: -17.831
Base-Backbone interact. energy: -0.000
local terms energy: -20.477995
where:
bonds (distance) C4'-P energy: -3.344
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.852
flat angles P-C4'-P energy: -2.792
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: 3, replica: 4
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -26.289770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.289770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.289770 (E_RNA)
where:
Base-Base interactions energy: -9.251
where: short stacking energy: -9.251
Base-Backbone interact. energy: -0.000
local terms energy: -17.038480
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -3.981
flat angles C4'-P-C4' energy: -4.869
flat angles P-C4'-P energy: -3.050
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: 4, replica: 9
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -32.238544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.238544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.238544 (E_RNA)
where:
Base-Base interactions energy: -16.014
where: short stacking energy: -16.014
Base-Backbone interact. energy: -0.000
local terms energy: -16.225029
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -3.811
flat angles C4'-P-C4' energy: -3.454
flat angles P-C4'-P energy: -1.095
tors. eta vs tors. theta energy: -3.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -29.693726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.693726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.693726 (E_RNA)
where:
Base-Base interactions energy: -12.994
where: short stacking energy: -12.994
Base-Backbone interact. energy: -0.000
local terms energy: -16.700040
where:
bonds (distance) C4'-P energy: -2.859
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -3.828
flat angles P-C4'-P energy: -3.574
tors. eta vs tors. theta energy: -1.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -31.058110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.058110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.058110 (E_RNA)
where:
Base-Base interactions energy: -15.815
where: short stacking energy: -15.815
Base-Backbone interact. energy: -0.000
local terms energy: -15.243189
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -0.027
flat angles P-C4'-P energy: -2.803
tors. eta vs tors. theta energy: -3.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -28.944952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.944952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.944952 (E_RNA)
where:
Base-Base interactions energy: -11.746
where: short stacking energy: -11.746
Base-Backbone interact. energy: -0.000
local terms energy: -17.199163
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.012
flat angles P-C4'-P energy: -1.973
tors. eta vs tors. theta energy: -2.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -34.428518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.428518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.428518 (E_RNA)
where:
Base-Base interactions energy: -15.044
where: short stacking energy: -15.044
Base-Backbone interact. energy: -0.000
local terms energy: -19.384028
where:
bonds (distance) C4'-P energy: -4.009
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -3.672
flat angles P-C4'-P energy: -2.186
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: 9, replica: 8
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -27.160153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.160153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.160153 (E_RNA)
where:
Base-Base interactions energy: -10.042
where: short stacking energy: -10.042
Base-Backbone interact. energy: -0.000
local terms energy: -17.118506
where:
bonds (distance) C4'-P energy: -3.169
bonds (distance) P-C4' energy: -4.867
flat angles C4'-P-C4' energy: -4.135
flat angles P-C4'-P energy: -1.174
tors. eta vs tors. theta energy: -3.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -23.966990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.966990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.966990 (E_RNA)
where:
Base-Base interactions energy: -7.522
where: short stacking energy: -7.522
Base-Backbone interact. energy: -0.000
local terms energy: -16.444852
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -1.983
flat angles C4'-P-C4' energy: -4.282
flat angles P-C4'-P energy: -3.637
tors. eta vs tors. theta energy: -2.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -34.884885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.884885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.884885 (E_RNA)
where:
Base-Base interactions energy: -15.794
where: short stacking energy: -15.794
Base-Backbone interact. energy: -0.000
local terms energy: -19.091254
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.355
flat angles P-C4'-P energy: -2.461
tors. eta vs tors. theta energy: -3.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -39.245446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.245446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.245446 (E_RNA)
where:
Base-Base interactions energy: -18.140
where: short stacking energy: -18.140
Base-Backbone interact. energy: -0.000
local terms energy: -21.104951
where:
bonds (distance) C4'-P energy: -3.264
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.413
flat angles P-C4'-P energy: -3.765
tors. eta vs tors. theta energy: -4.802
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: 3, replica: 9
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -31.544940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.544940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.544940 (E_RNA)
where:
Base-Base interactions energy: -13.332
where: short stacking energy: -13.332
Base-Backbone interact. energy: -0.000
local terms energy: -18.212241
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -5.128
flat angles C4'-P-C4' energy: -3.307
flat angles P-C4'-P energy: -2.619
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: 4, replica: 4
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -23.781984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.781984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.781984 (E_RNA)
where:
Base-Base interactions energy: -8.745
where: short stacking energy: -8.745
Base-Backbone interact. energy: -0.001
local terms energy: -15.036705
where:
bonds (distance) C4'-P energy: -4.643
bonds (distance) P-C4' energy: -2.416
flat angles C4'-P-C4' energy: -2.766
flat angles P-C4'-P energy: -3.306
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: 5, replica: 7
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -31.929253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.929253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.929253 (E_RNA)
where:
Base-Base interactions energy: -12.638
where: short stacking energy: -12.638
Base-Backbone interact. energy: -0.000
local terms energy: -19.291227
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -3.557
flat angles C4'-P-C4' energy: -4.170
flat angles P-C4'-P energy: -2.558
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: 6, replica: 1
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -28.721970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.721970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.721970 (E_RNA)
where:
Base-Base interactions energy: -13.621
where: short stacking energy: -13.621
Base-Backbone interact. energy: -0.000
local terms energy: -15.100569
where:
bonds (distance) C4'-P energy: -2.432
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.054
flat angles P-C4'-P energy: -2.149
tors. eta vs tors. theta energy: -2.351
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: 10
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -29.184770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.184770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.184770 (E_RNA)
where:
Base-Base interactions energy: -10.178
where: short stacking energy: -10.178
Base-Backbone interact. energy: -0.000
local terms energy: -19.007241
where:
bonds (distance) C4'-P energy: -3.745
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -4.042
flat angles P-C4'-P energy: -2.768
tors. eta vs tors. theta energy: -3.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -27.589946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.589946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.589946 (E_RNA)
where:
Base-Base interactions energy: -9.532
where: short stacking energy: -9.532
Base-Backbone interact. energy: -0.000
local terms energy: -18.058144
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -4.663
flat angles P-C4'-P energy: -3.108
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: 9, replica: 2
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -26.675859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.675859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.675859 (E_RNA)
where:
Base-Base interactions energy: -10.779
where: short stacking energy: -10.779
Base-Backbone interact. energy: -0.000
local terms energy: -15.896521
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -4.569
flat angles C4'-P-C4' energy: -2.465
flat angles P-C4'-P energy: -2.933
tors. eta vs tors. theta energy: -2.272
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: 8
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -25.490626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.490626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.490626 (E_RNA)
where:
Base-Base interactions energy: -8.745
where: short stacking energy: -4.234
Base-Backbone interact. energy: -0.042
local terms energy: -16.704407
where:
bonds (distance) C4'-P energy: -2.680
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -4.534
flat angles P-C4'-P energy: -3.618
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: 1, replica: 3
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -34.145329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.145329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.145329 (E_RNA)
where:
Base-Base interactions energy: -16.238
where: short stacking energy: -16.238
Base-Backbone interact. energy: -0.000
local terms energy: -17.907450
where:
bonds (distance) C4'-P energy: -4.303
bonds (distance) P-C4' energy: -4.867
flat angles C4'-P-C4' energy: -4.061
flat angles P-C4'-P energy: -1.801
tors. eta vs tors. theta energy: -2.875
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: 9
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -38.099414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.099414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.099414 (E_RNA)
where:
Base-Base interactions energy: -16.958
where: short stacking energy: -16.958
Base-Backbone interact. energy: -0.000
local terms energy: -21.141579
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.827
flat angles P-C4'-P energy: -2.471
tors. eta vs tors. theta energy: -5.505
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: 6
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -30.744174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.744174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.744174 (E_RNA)
where:
Base-Base interactions energy: -12.469
where: short stacking energy: -12.469
Base-Backbone interact. energy: -0.000
local terms energy: -18.275355
where:
bonds (distance) C4'-P energy: -4.154
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -3.384
flat angles P-C4'-P energy: -3.417
tors. eta vs tors. theta energy: -2.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -31.236387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.236387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.236387 (E_RNA)
where:
Base-Base interactions energy: -13.993
where: short stacking energy: -13.993
Base-Backbone interact. energy: -0.001
local terms energy: -17.242421
where:
bonds (distance) C4'-P energy: -2.395
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.337
flat angles P-C4'-P energy: -3.441
tors. eta vs tors. theta energy: -3.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -31.562605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.562605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.562605 (E_RNA)
where:
Base-Base interactions energy: -14.387
where: short stacking energy: -14.387
Base-Backbone interact. energy: -0.006
local terms energy: -17.169847
where:
bonds (distance) C4'-P energy: -3.745
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -3.674
flat angles P-C4'-P energy: -3.540
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: 6, replica: 10
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -28.140987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.140987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.140987 (E_RNA)
where:
Base-Base interactions energy: -11.417
where: short stacking energy: -11.417
Base-Backbone interact. energy: -0.002
local terms energy: -16.722301
where:
bonds (distance) C4'-P energy: -2.254
bonds (distance) P-C4' energy: -4.413
flat angles C4'-P-C4' energy: -4.114
flat angles P-C4'-P energy: -3.560
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: 7, replica: 1
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -31.238250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.238250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.238250 (E_RNA)
where:
Base-Base interactions energy: -10.796
where: short stacking energy: -10.796
Base-Backbone interact. energy: -0.000
local terms energy: -20.442135
where:
bonds (distance) C4'-P energy: -4.163
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.765
flat angles P-C4'-P energy: -2.941
tors. eta vs tors. theta energy: -4.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -26.246070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.246070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.246070 (E_RNA)
where:
Base-Base interactions energy: -17.121
where: short stacking energy: -8.743
Base-Backbone interact. energy: -0.014
local terms energy: -9.111726
where:
bonds (distance) C4'-P energy: -3.194
bonds (distance) P-C4' energy: -2.861
flat angles C4'-P-C4' energy: -4.116
flat angles P-C4'-P energy: 0.284
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: 9, replica: 5
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -24.903802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.903802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.903802 (E_RNA)
where:
Base-Base interactions energy: -7.091
where: short stacking energy: -7.091
Base-Backbone interact. energy: -0.000
local terms energy: -17.812583
where:
bonds (distance) C4'-P energy: -4.303
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -3.718
flat angles P-C4'-P energy: -3.574
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: 10, replica: 8
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -26.012712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.012712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.012712 (E_RNA)
where:
Base-Base interactions energy: -12.277
where: short stacking energy: -12.277
Base-Backbone interact. energy: -0.000
local terms energy: -13.735397
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -1.965
flat angles P-C4'-P energy: 1.273
tors. eta vs tors. theta energy: -3.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -37.085570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.085570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.085570 (E_RNA)
where:
Base-Base interactions energy: -16.535
where: short stacking energy: -16.535
Base-Backbone interact. energy: -0.000
local terms energy: -20.550116
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -3.728
flat angles P-C4'-P energy: -4.006
tors. eta vs tors. theta energy: -3.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -37.061074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.061074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.061074 (E_RNA)
where:
Base-Base interactions energy: -14.972
where: short stacking energy: -14.972
Base-Backbone interact. energy: -0.000
local terms energy: -22.088765
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.383
flat angles P-C4'-P energy: -3.899
tors. eta vs tors. theta energy: -4.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -34.106869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.106869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.106869 (E_RNA)
where:
Base-Base interactions energy: -13.353
where: short stacking energy: -13.353
Base-Backbone interact. energy: -0.000
local terms energy: -20.753889
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.606
flat angles C4'-P-C4' energy: -4.163
flat angles P-C4'-P energy: -2.657
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: 4, replica: 6
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -27.721990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.721990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.721990 (E_RNA)
where:
Base-Base interactions energy: -11.246
where: short stacking energy: -6.871
Base-Backbone interact. energy: -0.005
local terms energy: -16.471071
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -4.026
flat angles P-C4'-P energy: -2.555
tors. eta vs tors. theta energy: -1.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -31.004734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.004734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.004734 (E_RNA)
where:
Base-Base interactions energy: -12.672
where: short stacking energy: -12.672
Base-Backbone interact. energy: -0.000
local terms energy: -18.333120
where:
bonds (distance) C4'-P energy: -3.182
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -4.099
flat angles P-C4'-P energy: -3.276
tors. eta vs tors. theta energy: -3.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -36.393094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.393094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.393094 (E_RNA)
where:
Base-Base interactions energy: -17.237
where: short stacking energy: -17.237
Base-Backbone interact. energy: -0.000
local terms energy: -19.156226
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -4.674
flat angles C4'-P-C4' energy: -3.444
flat angles P-C4'-P energy: -2.416
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: 7, replica: 2
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -25.284533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.284533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.284533 (E_RNA)
where:
Base-Base interactions energy: -8.744
where: short stacking energy: -8.744
Base-Backbone interact. energy: -0.000
local terms energy: -16.540132
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.272
flat angles P-C4'-P energy: -2.973
tors. eta vs tors. theta energy: -0.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -30.714768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.714768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.714768 (E_RNA)
where:
Base-Base interactions energy: -12.416
where: short stacking energy: -12.416
Base-Backbone interact. energy: -0.000
local terms energy: -18.299046
where:
bonds (distance) C4'-P energy: -2.867
bonds (distance) P-C4' energy: -3.751
flat angles C4'-P-C4' energy: -3.961
flat angles P-C4'-P energy: -2.531
tors. eta vs tors. theta energy: -5.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -29.540471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.540471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.540471 (E_RNA)
where:
Base-Base interactions energy: -8.821
where: short stacking energy: -8.821
Base-Backbone interact. energy: -0.000
local terms energy: -20.719787
where:
bonds (distance) C4'-P energy: -2.163
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.958
flat angles P-C4'-P energy: -3.872
tors. eta vs tors. theta energy: -5.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -22.480026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.480026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.480026 (E_RNA)
where:
Base-Base interactions energy: -10.195
where: short stacking energy: -10.195
Base-Backbone interact. energy: -0.010
local terms energy: -12.275747
where:
bonds (distance) C4'-P energy: -0.183
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -1.070
flat angles P-C4'-P energy: -2.966
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: 3
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -37.600797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.600797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.600797 (E_RNA)
where:
Base-Base interactions energy: -16.558
where: short stacking energy: -16.558
Base-Backbone interact. energy: -0.000
local terms energy: -21.042408
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -4.202
flat angles C4'-P-C4' energy: -4.713
flat angles P-C4'-P energy: -2.820
tors. eta vs tors. theta energy: -5.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -35.404082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.404082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.404082 (E_RNA)
where:
Base-Base interactions energy: -13.627
where: short stacking energy: -13.627
Base-Backbone interact. energy: -0.000
local terms energy: -21.776931
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.734
flat angles P-C4'-P energy: -3.211
tors. eta vs tors. theta energy: -5.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -33.878717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.878717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.878717 (E_RNA)
where:
Base-Base interactions energy: -14.326
where: short stacking energy: -14.326
Base-Backbone interact. energy: -0.000
local terms energy: -19.553141
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.600
flat angles P-C4'-P energy: -1.784
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: 4, replica: 10
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -26.810821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.810821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.810821 (E_RNA)
where:
Base-Base interactions energy: -9.053
where: short stacking energy: -9.053
Base-Backbone interact. energy: -0.000
local terms energy: -17.758183
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.047
flat angles C4'-P-C4' energy: -4.104
flat angles P-C4'-P energy: -3.574
tors. eta vs tors. theta energy: -1.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -27.596053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.596053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.596053 (E_RNA)
where:
Base-Base interactions energy: -13.434
where: short stacking energy: -13.434
Base-Backbone interact. energy: -0.000
local terms energy: -14.161798
where:
bonds (distance) C4'-P energy: -1.774
bonds (distance) P-C4' energy: -4.392
flat angles C4'-P-C4' energy: -1.811
flat angles P-C4'-P energy: -2.277
tors. eta vs tors. theta energy: -3.908
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: 2
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -30.099067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.099067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.099067 (E_RNA)
where:
Base-Base interactions energy: -15.598
where: short stacking energy: -12.014
Base-Backbone interact. energy: -0.000
local terms energy: -14.501278
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -3.628
flat angles C4'-P-C4' energy: -3.019
flat angles P-C4'-P energy: -2.568
tors. eta vs tors. theta energy: -1.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -29.626809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.626809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.626809 (E_RNA)
where:
Base-Base interactions energy: -16.710
where: short stacking energy: -16.710
Base-Backbone interact. energy: -0.000
local terms energy: -12.916189
where:
bonds (distance) C4'-P energy: -2.859
bonds (distance) P-C4' energy: -3.339
flat angles C4'-P-C4' energy: -1.952
flat angles P-C4'-P energy: -0.855
tors. eta vs tors. theta energy: -3.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -29.686211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.686211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.686211 (E_RNA)
where:
Base-Base interactions energy: -12.584
where: short stacking energy: -12.584
Base-Backbone interact. energy: -0.000
local terms energy: -17.101929
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -3.786
flat angles C4'-P-C4' energy: -4.448
flat angles P-C4'-P energy: -1.988
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: 1
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -28.437510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.437510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.437510 (E_RNA)
where:
Base-Base interactions energy: -9.045
where: short stacking energy: -9.045
Base-Backbone interact. energy: -0.000
local terms energy: -19.392131
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -3.936
flat angles P-C4'-P energy: -3.325
tors. eta vs tors. theta energy: -2.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -26.345729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.345729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.345729 (E_RNA)
where:
Base-Base interactions energy: -8.550
where: short stacking energy: -8.550
Base-Backbone interact. energy: -0.000
local terms energy: -17.795692
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -4.028
flat angles P-C4'-P energy: -3.484
tors. eta vs tors. theta energy: -1.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -38.161863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.161863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.161863 (E_RNA)
where:
Base-Base interactions energy: -17.061
where: short stacking energy: -17.061
Base-Backbone interact. energy: -0.000
local terms energy: -21.101147
where:
bonds (distance) C4'-P energy: -3.745
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -4.771
flat angles P-C4'-P energy: -2.243
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: 2, replica: 3
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -33.328859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.328859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.328859 (E_RNA)
where:
Base-Base interactions energy: -15.370
where: short stacking energy: -15.370
Base-Backbone interact. energy: -0.000
local terms energy: -17.958395
where:
bonds (distance) C4'-P energy: -3.016
bonds (distance) P-C4' energy: -3.748
flat angles C4'-P-C4' energy: -4.452
flat angles P-C4'-P energy: -2.370
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: 3, replica: 10
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -31.289519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.289519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.289519 (E_RNA)
where:
Base-Base interactions energy: -12.851
where: short stacking energy: -12.851
Base-Backbone interact. energy: -0.000
local terms energy: -18.438520
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -2.937
flat angles P-C4'-P energy: -2.711
tors. eta vs tors. theta energy: -3.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -25.796931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.796931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.796931 (E_RNA)
where:
Base-Base interactions energy: -8.768
where: short stacking energy: -8.768
Base-Backbone interact. energy: -0.000
local terms energy: -17.028437
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -4.441
flat angles C4'-P-C4' energy: -4.245
flat angles P-C4'-P energy: -3.028
tors. eta vs tors. theta energy: -1.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -28.945720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.945720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.945720 (E_RNA)
where:
Base-Base interactions energy: -12.230
where: short stacking energy: -12.230
Base-Backbone interact. energy: -0.000
local terms energy: -16.715779
where:
bonds (distance) C4'-P energy: -2.457
bonds (distance) P-C4' energy: -3.578
flat angles C4'-P-C4' energy: -3.100
flat angles P-C4'-P energy: -3.539
tors. eta vs tors. theta energy: -4.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -30.683241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.683241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.683241 (E_RNA)
where:
Base-Base interactions energy: -13.838
where: short stacking energy: -13.838
Base-Backbone interact. energy: -0.000
local terms energy: -16.845655
where:
bonds (distance) C4'-P energy: -3.317
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -2.925
flat angles P-C4'-P energy: -2.302
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: 7, replica: 8
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -28.112348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.112348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.112348 (E_RNA)
where:
Base-Base interactions energy: -7.715
where: short stacking energy: -7.715
Base-Backbone interact. energy: -0.029
local terms energy: -20.367822
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.503
flat angles P-C4'-P energy: -3.753
tors. eta vs tors. theta energy: -2.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -33.992879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.992879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.992879 (E_RNA)
where:
Base-Base interactions energy: -15.111
where: short stacking energy: -15.111
Base-Backbone interact. energy: -0.000
local terms energy: -18.881970
where:
bonds (distance) C4'-P energy: -3.045
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.755
flat angles P-C4'-P energy: -0.944
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: 9, replica: 1
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -24.196424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.196424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.196424 (E_RNA)
where:
Base-Base interactions energy: -9.414
where: short stacking energy: -9.414
Base-Backbone interact. energy: -0.000
local terms energy: -14.781886
where:
bonds (distance) C4'-P energy: -2.556
bonds (distance) P-C4' energy: -5.361
flat angles C4'-P-C4' energy: -4.013
flat angles P-C4'-P energy: -0.676
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: 10, replica: 5
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -31.135794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.135794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.135794 (E_RNA)
where:
Base-Base interactions energy: -12.449
where: short stacking energy: -12.449
Base-Backbone interact. energy: -0.002
local terms energy: -18.684819
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -4.202
flat angles C4'-P-C4' energy: -4.456
flat angles P-C4'-P energy: -2.654
tors. eta vs tors. theta energy: -3.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -37.933071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.933071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.933071 (E_RNA)
where:
Base-Base interactions energy: -16.307
where: short stacking energy: -16.307
Base-Backbone interact. energy: -0.000
local terms energy: -21.626309
where:
bonds (distance) C4'-P energy: -2.921
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.924
flat angles P-C4'-P energy: -3.327
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: 2, replica: 10
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -34.725868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.725868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.725868 (E_RNA)
where:
Base-Base interactions energy: -13.199
where: short stacking energy: -13.199
Base-Backbone interact. energy: -0.000
local terms energy: -21.527234
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.291
flat angles P-C4'-P energy: -3.185
tors. eta vs tors. theta energy: -4.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -34.330393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.330393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.330393 (E_RNA)
where:
Base-Base interactions energy: -16.118
where: short stacking energy: -16.118
Base-Backbone interact. energy: -0.000
local terms energy: -18.212574
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -3.282
flat angles C4'-P-C4' energy: -4.013
flat angles P-C4'-P energy: -2.460
tors. eta vs tors. theta energy: -4.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -29.884690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.884690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.884690 (E_RNA)
where:
Base-Base interactions energy: -14.140
where: short stacking energy: -14.140
Base-Backbone interact. energy: -0.000
local terms energy: -15.744238
where:
bonds (distance) C4'-P energy: -4.125
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.504
flat angles P-C4'-P energy: -1.712
tors. eta vs tors. theta energy: -1.309
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: 9
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -32.723122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.723122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.723122 (E_RNA)
where:
Base-Base interactions energy: -14.530
where: short stacking energy: -14.530
Base-Backbone interact. energy: -0.000
local terms energy: -18.193353
where:
bonds (distance) C4'-P energy: -3.691
bonds (distance) P-C4' energy: -3.138
flat angles C4'-P-C4' energy: -4.114
flat angles P-C4'-P energy: -2.274
tors. eta vs tors. theta energy: -4.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -27.959822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.959822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.959822 (E_RNA)
where:
Base-Base interactions energy: -8.779
where: short stacking energy: -8.779
Base-Backbone interact. energy: -0.000
local terms energy: -19.180652
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.727
flat angles P-C4'-P energy: -1.900
tors. eta vs tors. theta energy: -3.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -26.942731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.942731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.942731 (E_RNA)
where:
Base-Base interactions energy: -9.987
where: short stacking energy: -6.375
Base-Backbone interact. energy: -0.007
local terms energy: -16.948872
where:
bonds (distance) C4'-P energy: -2.900
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.625
flat angles P-C4'-P energy: -3.007
tors. eta vs tors. theta energy: -2.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -24.338137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.338137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.338137 (E_RNA)
where:
Base-Base interactions energy: -8.395
where: short stacking energy: -8.395
Base-Backbone interact. energy: -0.000
local terms energy: -15.943034
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.430
flat angles P-C4'-P energy: -0.375
tors. eta vs tors. theta energy: -2.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -24.759723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.759723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.759723 (E_RNA)
where:
Base-Base interactions energy: -7.708
where: short stacking energy: -7.708
Base-Backbone interact. energy: -0.021
local terms energy: -17.030577
where:
bonds (distance) C4'-P energy: -4.332
bonds (distance) P-C4' energy: -3.987
flat angles C4'-P-C4' energy: -4.816
flat angles P-C4'-P energy: -1.945
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: 10, replica: 5
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -26.116560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.116560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.116560 (E_RNA)
where:
Base-Base interactions energy: -12.432
where: short stacking energy: -12.432
Base-Backbone interact. energy: -0.000
local terms energy: -13.684866
where:
bonds (distance) C4'-P energy: -3.673
bonds (distance) P-C4' energy: -0.460
flat angles C4'-P-C4' energy: -4.281
flat angles P-C4'-P energy: -2.867
tors. eta vs tors. theta energy: -2.404
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: 1, replica: 10
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -33.684137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.684137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.684137 (E_RNA)
where:
Base-Base interactions energy: -13.486
where: short stacking energy: -13.486
Base-Backbone interact. energy: -0.000
local terms energy: -20.198047
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.061
flat angles P-C4'-P energy: -2.556
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: 2, replica: 7
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -32.630943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.630943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.630943 (E_RNA)
where:
Base-Base interactions energy: -15.274
where: short stacking energy: -15.274
Base-Backbone interact. energy: -0.000
local terms energy: -17.356430
where:
bonds (distance) C4'-P energy: -2.564
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -2.701
flat angles P-C4'-P energy: -1.980
tors. eta vs tors. theta energy: -4.990
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: 3
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -36.959189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.959189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.959189 (E_RNA)
where:
Base-Base interactions energy: -17.765
where: short stacking energy: -17.765
Base-Backbone interact. energy: -0.000
local terms energy: -19.194540
where:
bonds (distance) C4'-P energy: -3.745
bonds (distance) P-C4' energy: -3.818
flat angles C4'-P-C4' energy: -4.801
flat angles P-C4'-P energy: -3.067
tors. eta vs tors. theta energy: -3.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -30.399072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.399072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.399072 (E_RNA)
where:
Base-Base interactions energy: -12.911
where: short stacking energy: -12.911
Base-Backbone interact. energy: -0.000
local terms energy: -17.488480
where:
bonds (distance) C4'-P energy: -4.303
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -3.761
flat angles P-C4'-P energy: -2.789
tors. eta vs tors. theta energy: -1.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -32.692605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.692605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.692605 (E_RNA)
where:
Base-Base interactions energy: -12.511
where: short stacking energy: -12.511
Base-Backbone interact. energy: -0.000
local terms energy: -20.181970
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.464
flat angles P-C4'-P energy: -3.338
tors. eta vs tors. theta energy: -3.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -35.800456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.800456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.800456 (E_RNA)
where:
Base-Base interactions energy: -15.414
where: short stacking energy: -15.414
Base-Backbone interact. energy: -0.000
local terms energy: -20.386786
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.363
flat angles P-C4'-P energy: -3.257
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: 7, replica: 6
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -25.519813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.519813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.519813 (E_RNA)
where:
Base-Base interactions energy: -8.509
where: short stacking energy: -8.509
Base-Backbone interact. energy: -0.093
local terms energy: -16.917807
where:
bonds (distance) C4'-P energy: -3.674
bonds (distance) P-C4' energy: -3.202
flat angles C4'-P-C4' energy: -4.561
flat angles P-C4'-P energy: -3.613
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: 8, replica: 1
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -28.382632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.382632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.382632 (E_RNA)
where:
Base-Base interactions energy: -8.317
where: short stacking energy: -8.317
Base-Backbone interact. energy: -0.000
local terms energy: -20.065636
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -3.745
flat angles P-C4'-P energy: -3.778
tors. eta vs tors. theta energy: -3.830
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: 5
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -27.221525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.221525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.221525 (E_RNA)
where:
Base-Base interactions energy: -9.434
where: short stacking energy: -9.434
Base-Backbone interact. energy: -0.000
local terms energy: -17.787727
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -3.723
flat angles C4'-P-C4' energy: -4.609
flat angles P-C4'-P energy: -2.460
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: 10, replica: 4
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -27.748333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.748333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.748333 (E_RNA)
where:
Base-Base interactions energy: -10.180
where: short stacking energy: -10.180
Base-Backbone interact. energy: -0.000
local terms energy: -17.568681
where:
bonds (distance) C4'-P energy: -3.024
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -4.188
flat angles P-C4'-P energy: -3.370
tors. eta vs tors. theta energy: -1.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -35.058600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.058600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.058600 (E_RNA)
where:
Base-Base interactions energy: -13.688
where: short stacking energy: -13.688
Base-Backbone interact. energy: -0.000
local terms energy: -21.371054
where:
bonds (distance) C4'-P energy: -3.799
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -4.168
flat angles P-C4'-P energy: -2.955
tors. eta vs tors. theta energy: -5.092
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: 2, replica: 3
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -35.931796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.931796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.931796 (E_RNA)
where:
Base-Base interactions energy: -16.847
where: short stacking energy: -16.847
Base-Backbone interact. energy: -0.000
local terms energy: -19.084503
where:
bonds (distance) C4'-P energy: -4.038
bonds (distance) P-C4' energy: -4.600
flat angles C4'-P-C4' energy: -4.199
flat angles P-C4'-P energy: -2.993
tors. eta vs tors. theta energy: -3.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -38.225894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.225894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.225894 (E_RNA)
where:
Base-Base interactions energy: -16.661
where: short stacking energy: -16.661
Base-Backbone interact. energy: -0.000
local terms energy: -21.564796
where:
bonds (distance) C4'-P energy: -3.112
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.148
flat angles P-C4'-P energy: -3.976
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: 4, replica: 8
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -29.884722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.884722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.884722 (E_RNA)
where:
Base-Base interactions energy: -11.723
where: short stacking energy: -11.540
Base-Backbone interact. energy: -0.000
local terms energy: -18.161025
where:
bonds (distance) C4'-P energy: -3.020
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.067
flat angles P-C4'-P energy: -2.808
tors. eta vs tors. theta energy: -3.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -32.048462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.048462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.048462 (E_RNA)
where:
Base-Base interactions energy: -16.377
where: short stacking energy: -16.377
Base-Backbone interact. energy: -0.000
local terms energy: -15.671456
where:
bonds (distance) C4'-P energy: -2.503
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -2.945
flat angles P-C4'-P energy: -1.546
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: 6, replica: 6
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -29.992256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.992256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.992256 (E_RNA)
where:
Base-Base interactions energy: -10.338
where: short stacking energy: -10.338
Base-Backbone interact. energy: -0.000
local terms energy: -19.654542
where:
bonds (distance) C4'-P energy: -2.743
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.455
flat angles P-C4'-P energy: -3.497
tors. eta vs tors. theta energy: -3.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -23.824783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.824783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.824783 (E_RNA)
where:
Base-Base interactions energy: -8.605
where: short stacking energy: -8.605
Base-Backbone interact. energy: -0.028
local terms energy: -15.191366
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.098
flat angles P-C4'-P energy: 0.623
tors. eta vs tors. theta energy: -1.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -27.483075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.483075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.483075 (E_RNA)
where:
Base-Base interactions energy: -10.863
where: short stacking energy: -10.863
Base-Backbone interact. energy: -0.000
local terms energy: -16.619641
where:
bonds (distance) C4'-P energy: -3.479
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.081
flat angles P-C4'-P energy: -1.582
tors. eta vs tors. theta energy: -3.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -24.893896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.893896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.893896 (E_RNA)
where:
Base-Base interactions energy: -12.754
where: short stacking energy: -12.754
Base-Backbone interact. energy: -0.000
local terms energy: -12.140028
where:
bonds (distance) C4'-P energy: -2.626
bonds (distance) P-C4' energy: -1.342
flat angles C4'-P-C4' energy: -3.561
flat angles P-C4'-P energy: -2.456
tors. eta vs tors. theta energy: -2.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -28.306332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.306332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.306332 (E_RNA)
where:
Base-Base interactions energy: -8.601
where: short stacking energy: -8.601
Base-Backbone interact. energy: -0.000
local terms energy: -19.705290
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.113
flat angles P-C4'-P energy: -3.008
tors. eta vs tors. theta energy: -3.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -34.192395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.192395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.192395 (E_RNA)
where:
Base-Base interactions energy: -13.907
where: short stacking energy: -13.907
Base-Backbone interact. energy: -0.000
local terms energy: -20.285124
where:
bonds (distance) C4'-P energy: -3.699
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -4.207
flat angles P-C4'-P energy: -3.503
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: 2, replica: 3
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -32.506205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.506205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.506205 (E_RNA)
where:
Base-Base interactions energy: -13.374
where: short stacking energy: -13.374
Base-Backbone interact. energy: -0.000
local terms energy: -19.132112
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.290
flat angles P-C4'-P energy: -3.732
tors. eta vs tors. theta energy: -2.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -37.310122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.310122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.310122 (E_RNA)
where:
Base-Base interactions energy: -17.022
where: short stacking energy: -17.022
Base-Backbone interact. energy: -0.000
local terms energy: -20.288509
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -3.134
flat angles C4'-P-C4' energy: -4.628
flat angles P-C4'-P energy: -3.481
tors. eta vs tors. theta energy: -4.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -32.437200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.437200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.437200 (E_RNA)
where:
Base-Base interactions energy: -12.201
where: short stacking energy: -12.201
Base-Backbone interact. energy: -0.000
local terms energy: -20.235748
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -4.324
flat angles P-C4'-P energy: -2.954
tors. eta vs tors. theta energy: -4.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -34.424416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.424416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.424416 (E_RNA)
where:
Base-Base interactions energy: -13.973
where: short stacking energy: -13.973
Base-Backbone interact. energy: -0.000
local terms energy: -20.451728
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -3.916
flat angles C4'-P-C4' energy: -4.338
flat angles P-C4'-P energy: -3.509
tors. eta vs tors. theta energy: -4.704
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: 2
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -33.320723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.320723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.320723 (E_RNA)
where:
Base-Base interactions energy: -14.575
where: short stacking energy: -14.575
Base-Backbone interact. energy: -0.000
local terms energy: -18.745347
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -2.153
flat angles C4'-P-C4' energy: -4.674
flat angles P-C4'-P energy: -3.522
tors. eta vs tors. theta energy: -3.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -27.172888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.172888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.172888 (E_RNA)
where:
Base-Base interactions energy: -14.377
where: short stacking energy: -8.710
Base-Backbone interact. energy: -0.021
local terms energy: -12.774935
where:
bonds (distance) C4'-P energy: -3.206
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.050
flat angles P-C4'-P energy: -1.608
tors. eta vs tors. theta energy: 0.524
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: 8, replica: 9
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -30.082907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.082907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.082907 (E_RNA)
where:
Base-Base interactions energy: -11.541
where: short stacking energy: -11.541
Base-Backbone interact. energy: -0.000
local terms energy: -18.541761
where:
bonds (distance) C4'-P energy: -3.691
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -3.347
flat angles P-C4'-P energy: -2.804
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: 4
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -25.397238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.397238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.397238 (E_RNA)
where:
Base-Base interactions energy: -7.815
where: short stacking energy: -7.815
Base-Backbone interact. energy: -0.000
local terms energy: -17.581934
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -2.819
flat angles P-C4'-P energy: -2.095
tors. eta vs tors. theta energy: -2.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -22.518785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.518785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.518785 (E_RNA)
where:
Base-Base interactions energy: -11.033
where: short stacking energy: -11.033
Base-Backbone interact. energy: -0.000
local terms energy: -11.485603
where:
bonds (distance) C4'-P energy: -3.487
bonds (distance) P-C4' energy: -4.410
flat angles C4'-P-C4' energy: -1.243
flat angles P-C4'-P energy: -0.271
tors. eta vs tors. theta energy: -2.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -34.785806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.785806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.785806 (E_RNA)
where:
Base-Base interactions energy: -18.595
where: short stacking energy: -8.891
Base-Backbone interact. energy: -0.095
local terms energy: -16.095289
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.082
flat angles C4'-P-C4' energy: -4.578
flat angles P-C4'-P energy: -3.483
tors. eta vs tors. theta energy: 0.558
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: 7
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -33.198735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.198735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.198735 (E_RNA)
where:
Base-Base interactions energy: -14.276
where: short stacking energy: -14.276
Base-Backbone interact. energy: -0.000
local terms energy: -18.922868
where:
bonds (distance) C4'-P energy: -4.154
bonds (distance) P-C4' energy: -4.410
flat angles C4'-P-C4' energy: -4.238
flat angles P-C4'-P energy: -3.040
tors. eta vs tors. theta energy: -3.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -27.488064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.488064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.488064 (E_RNA)
where:
Base-Base interactions energy: -11.467
where: short stacking energy: -11.467
Base-Backbone interact. energy: -0.001
local terms energy: -16.020446
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -2.995
flat angles P-C4'-P energy: -2.441
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: 4, replica: 8
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -28.098031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.098031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.098031 (E_RNA)
where:
Base-Base interactions energy: -12.900
where: short stacking energy: -9.517
Base-Backbone interact. energy: -0.000
local terms energy: -15.197617
where:
bonds (distance) C4'-P energy: -4.332
bonds (distance) P-C4' energy: -4.051
flat angles C4'-P-C4' energy: -3.867
flat angles P-C4'-P energy: -1.290
tors. eta vs tors. theta energy: -1.657
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: 6
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -27.211186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.211186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.211186 (E_RNA)
where:
Base-Base interactions energy: -8.793
where: short stacking energy: -8.793
Base-Backbone interact. energy: -0.000
local terms energy: -18.417720
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.765
flat angles P-C4'-P energy: -2.303
tors. eta vs tors. theta energy: -3.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -34.467864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.467864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.467864 (E_RNA)
where:
Base-Base interactions energy: -13.763
where: short stacking energy: -13.763
Base-Backbone interact. energy: -0.000
local terms energy: -20.704493
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -3.412
flat angles P-C4'-P energy: -2.704
tors. eta vs tors. theta energy: -4.862
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: 2
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -27.365548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.365548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.365548 (E_RNA)
where:
Base-Base interactions energy: -9.136
where: short stacking energy: -9.136
Base-Backbone interact. energy: -0.000
local terms energy: -18.229362
where:
bonds (distance) C4'-P energy: -3.923
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -4.049
flat angles P-C4'-P energy: -2.538
tors. eta vs tors. theta energy: -2.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -28.604503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.604503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.604503 (E_RNA)
where:
Base-Base interactions energy: -11.116
where: short stacking energy: -11.116
Base-Backbone interact. energy: -0.011
local terms energy: -17.477114
where:
bonds (distance) C4'-P energy: -3.433
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -4.169
flat angles P-C4'-P energy: -2.719
tors. eta vs tors. theta energy: -2.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -25.567237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.567237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.567237 (E_RNA)
where:
Base-Base interactions energy: -8.884
where: short stacking energy: -8.884
Base-Backbone interact. energy: -0.000
local terms energy: -16.683032
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.047
flat angles C4'-P-C4' energy: -3.180
flat angles P-C4'-P energy: -3.318
tors. eta vs tors. theta energy: -1.735
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: 10, replica: 1
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -22.634558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.634558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.634558 (E_RNA)
where:
Base-Base interactions energy: -6.612
where: short stacking energy: -6.612
Base-Backbone interact. energy: -0.001
local terms energy: -16.021657
where:
bonds (distance) C4'-P energy: -3.247
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.222
flat angles P-C4'-P energy: -2.112
tors. eta vs tors. theta energy: -1.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -36.671533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.671533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.671533 (E_RNA)
where:
Base-Base interactions energy: -16.571
where: short stacking energy: -16.571
Base-Backbone interact. energy: -0.000
local terms energy: -20.100240
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.727
flat angles P-C4'-P energy: -2.867
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: 2, replica: 10
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -35.491733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.491733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.491733 (E_RNA)
where:
Base-Base interactions energy: -14.736
where: short stacking energy: -14.736
Base-Backbone interact. energy: -0.000
local terms energy: -20.755757
where:
bonds (distance) C4'-P energy: -3.673
bonds (distance) P-C4' energy: -4.413
flat angles C4'-P-C4' energy: -4.939
flat angles P-C4'-P energy: -3.473
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: 3, replica: 8
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -36.895529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.895529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.895529 (E_RNA)
where:
Base-Base interactions energy: -16.509
where: short stacking energy: -16.509
Base-Backbone interact. energy: -0.000
local terms energy: -20.386569
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -3.339
flat angles P-C4'-P energy: -2.462
tors. eta vs tors. theta energy: -5.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -26.342664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.342664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.342664 (E_RNA)
where:
Base-Base interactions energy: -8.450
where: short stacking energy: -8.450
Base-Backbone interact. energy: -0.001
local terms energy: -17.891453
where:
bonds (distance) C4'-P energy: -2.121
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -3.743
flat angles P-C4'-P energy: -3.522
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: 5, replica: 5
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -32.992327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.992327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.992327 (E_RNA)
where:
Base-Base interactions energy: -14.656
where: short stacking energy: -14.656
Base-Backbone interact. energy: -0.000
local terms energy: -18.335980
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -4.649
flat angles C4'-P-C4' energy: -3.527
flat angles P-C4'-P energy: -1.777
tors. eta vs tors. theta energy: -4.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -30.012562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.012562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.012562 (E_RNA)
where:
Base-Base interactions energy: -14.834
where: short stacking energy: -14.834
Base-Backbone interact. energy: -0.000
local terms energy: -15.178469
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -1.496
flat angles C4'-P-C4' energy: -2.074
flat angles P-C4'-P energy: -2.243
tors. eta vs tors. theta energy: -4.963
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: 7, replica: 4
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -25.371384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.371384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.371384 (E_RNA)
where:
Base-Base interactions energy: -7.227
where: short stacking energy: -7.227
Base-Backbone interact. energy: -0.000
local terms energy: -18.144489
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.896
flat angles C4'-P-C4' energy: -4.375
flat angles P-C4'-P energy: -2.342
tors. eta vs tors. theta energy: -2.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -27.587489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.587489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.587489 (E_RNA)
where:
Base-Base interactions energy: -9.064
where: short stacking energy: -9.064
Base-Backbone interact. energy: -0.000
local terms energy: -18.523730
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -2.383
flat angles C4'-P-C4' energy: -4.102
flat angles P-C4'-P energy: -3.693
tors. eta vs tors. theta energy: -4.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -22.340656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.340656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.340656 (E_RNA)
where:
Base-Base interactions energy: -9.434
where: short stacking energy: -9.434
Base-Backbone interact. energy: -0.047
local terms energy: -12.859616
where:
bonds (distance) C4'-P energy: -3.637
bonds (distance) P-C4' energy: -4.892
flat angles C4'-P-C4' energy: -3.913
flat angles P-C4'-P energy: -1.525
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: 10, replica: 1
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -26.409103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.409103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.409103 (E_RNA)
where:
Base-Base interactions energy: -9.844
where: short stacking energy: -9.844
Base-Backbone interact. energy: -0.000
local terms energy: -16.565091
where:
bonds (distance) C4'-P energy: -2.518
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.037
flat angles P-C4'-P energy: -3.587
tors. eta vs tors. theta energy: -2.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -30.791812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.791812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.791812 (E_RNA)
where:
Base-Base interactions energy: -12.582
where: short stacking energy: -12.582
Base-Backbone interact. energy: -0.000
local terms energy: -18.209619
where:
bonds (distance) C4'-P energy: -4.154
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -4.207
flat angles P-C4'-P energy: -3.601
tors. eta vs tors. theta energy: -1.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -38.367878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.367878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.367878 (E_RNA)
where:
Base-Base interactions energy: -17.114
where: short stacking energy: -17.114
Base-Backbone interact. energy: -0.000
local terms energy: -21.254210
where:
bonds (distance) C4'-P energy: -4.038
bonds (distance) P-C4' energy: -4.177
flat angles C4'-P-C4' energy: -4.678
flat angles P-C4'-P energy: -2.971
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: 3, replica: 10
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -37.632801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.632801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.632801 (E_RNA)
where:
Base-Base interactions energy: -16.695
where: short stacking energy: -16.695
Base-Backbone interact. energy: -0.000
local terms energy: -20.937960
where:
bonds (distance) C4'-P energy: -3.939
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.544
flat angles P-C4'-P energy: -3.140
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: 4, replica: 5
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -33.513597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.513597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.513597 (E_RNA)
where:
Base-Base interactions energy: -18.780
where: short stacking energy: -13.036
Base-Backbone interact. energy: -0.000
local terms energy: -14.733793
where:
bonds (distance) C4'-P energy: -3.309
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -2.231
flat angles P-C4'-P energy: -2.821
tors. eta vs tors. theta energy: -1.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -25.531646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.531646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.531646 (E_RNA)
where:
Base-Base interactions energy: -8.707
where: short stacking energy: -8.707
Base-Backbone interact. energy: -0.000
local terms energy: -16.824938
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.589
flat angles P-C4'-P energy: -2.287
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: 6, replica: 4
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -29.509501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.509501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.509501 (E_RNA)
where:
Base-Base interactions energy: -14.570
where: short stacking energy: -6.082
Base-Backbone interact. energy: -0.002
local terms energy: -14.937307
where:
bonds (distance) C4'-P energy: -3.645
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.402
flat angles P-C4'-P energy: -2.654
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: 7, replica: 6
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -27.002981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.002981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.002981 (E_RNA)
where:
Base-Base interactions energy: -13.025
where: short stacking energy: -13.025
Base-Backbone interact. energy: -0.001
local terms energy: -13.976857
where:
bonds (distance) C4'-P energy: -3.558
bonds (distance) P-C4' energy: -3.723
flat angles C4'-P-C4' energy: -3.894
flat angles P-C4'-P energy: -1.018
tors. eta vs tors. theta energy: -1.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -32.062426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.062426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.062426 (E_RNA)
where:
Base-Base interactions energy: -12.788
where: short stacking energy: -12.788
Base-Backbone interact. energy: -0.007
local terms energy: -19.268137
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -4.524
flat angles P-C4'-P energy: -3.602
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: 9, replica: 2
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -24.281591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.281591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.281591 (E_RNA)
where:
Base-Base interactions energy: -6.963
where: short stacking energy: -6.963
Base-Backbone interact. energy: -0.000
local terms energy: -17.318365
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -5.361
flat angles C4'-P-C4' energy: -3.381
flat angles P-C4'-P energy: -3.541
tors. eta vs tors. theta energy: -0.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -29.454800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.454800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.454800 (E_RNA)
where:
Base-Base interactions energy: -9.799
where: short stacking energy: -9.799
Base-Backbone interact. energy: -0.000
local terms energy: -19.655606
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -3.708
flat angles C4'-P-C4' energy: -4.413
flat angles P-C4'-P energy: -3.785
tors. eta vs tors. theta energy: -3.348
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: 1, replica: 8
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -33.534614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.534614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.534614 (E_RNA)
where:
Base-Base interactions energy: -15.067
where: short stacking energy: -15.067
Base-Backbone interact. energy: -0.000
local terms energy: -18.467960
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.236
flat angles P-C4'-P energy: -2.706
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: 2, replica: 7
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -31.275983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.275983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.275983 (E_RNA)
where:
Base-Base interactions energy: -12.955
where: short stacking energy: -12.955
Base-Backbone interact. energy: -0.000
local terms energy: -18.320354
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.912
flat angles P-C4'-P energy: -3.537
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: 3, replica: 5
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -30.388064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.388064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.388064 (E_RNA)
where:
Base-Base interactions energy: -11.346
where: short stacking energy: -11.346
Base-Backbone interact. energy: -0.000
local terms energy: -19.042031
where:
bonds (distance) C4'-P energy: -4.125
bonds (distance) P-C4' energy: -4.575
flat angles C4'-P-C4' energy: -4.765
flat angles P-C4'-P energy: -1.962
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: 4, replica: 10
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -32.396210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.396210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.396210 (E_RNA)
where:
Base-Base interactions energy: -13.131
where: short stacking energy: -13.131
Base-Backbone interact. energy: -0.000
local terms energy: -19.265542
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.129
flat angles P-C4'-P energy: -2.041
tors. eta vs tors. theta energy: -3.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -31.220182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.220182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.220182 (E_RNA)
where:
Base-Base interactions energy: -16.444
where: short stacking energy: -8.288
Base-Backbone interact. energy: -0.000
local terms energy: -14.776037
where:
bonds (distance) C4'-P energy: -3.629
bonds (distance) P-C4' energy: -4.109
flat angles C4'-P-C4' energy: -2.573
flat angles P-C4'-P energy: -2.673
tors. eta vs tors. theta energy: -1.792
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: 6, replica: 3
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -29.953062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.953062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.953062 (E_RNA)
where:
Base-Base interactions energy: -13.271
where: short stacking energy: -13.271
Base-Backbone interact. energy: -0.000
local terms energy: -16.681609
where:
bonds (distance) C4'-P energy: -3.406
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -3.360
flat angles P-C4'-P energy: -2.267
tors. eta vs tors. theta energy: -3.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -27.111601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.111601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.111601 (E_RNA)
where:
Base-Base interactions energy: -6.078
where: short stacking energy: -6.078
Base-Backbone interact. energy: -0.004
local terms energy: -21.029249
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -4.167
flat angles P-C4'-P energy: -3.843
tors. eta vs tors. theta energy: -3.145
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: 6
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -26.100670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.100670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.100670 (E_RNA)
where:
Base-Base interactions energy: -11.462
where: short stacking energy: -11.462
Base-Backbone interact. energy: -0.007
local terms energy: -14.631204
where:
bonds (distance) C4'-P energy: -2.850
bonds (distance) P-C4' energy: -4.569
flat angles C4'-P-C4' energy: -4.633
flat angles P-C4'-P energy: -2.539
tors. eta vs tors. theta energy: -0.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -28.070793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.070793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.070793 (E_RNA)
where:
Base-Base interactions energy: -8.999
where: short stacking energy: -8.999
Base-Backbone interact. energy: -0.045
local terms energy: -19.026303
where:
bonds (distance) C4'-P energy: -4.055
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -4.113
flat angles P-C4'-P energy: -2.811
tors. eta vs tors. theta energy: -2.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -33.156308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.156308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.156308 (E_RNA)
where:
Base-Base interactions energy: -15.022
where: short stacking energy: -15.022
Base-Backbone interact. energy: -0.000
local terms energy: -18.134777
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -1.486
flat angles C4'-P-C4' energy: -3.814
flat angles P-C4'-P energy: -3.052
tors. eta vs tors. theta energy: -5.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -37.673557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.673557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.673557 (E_RNA)
where:
Base-Base interactions energy: -17.742
where: short stacking energy: -17.742
Base-Backbone interact. energy: -0.000
local terms energy: -19.931504
where:
bonds (distance) C4'-P energy: -3.645
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -4.476
flat angles P-C4'-P energy: -3.307
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: 2, replica: 5
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -29.535147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.535147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.535147 (E_RNA)
where:
Base-Base interactions energy: -14.576
where: short stacking energy: -4.971
Base-Backbone interact. energy: 0.012
local terms energy: -14.970672
where:
bonds (distance) C4'-P energy: -3.923
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.436
flat angles P-C4'-P energy: -2.924
tors. eta vs tors. theta energy: 1.663
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: 3, replica: 7
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -29.995285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.995285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.995285 (E_RNA)
where:
Base-Base interactions energy: -11.272
where: short stacking energy: -11.272
Base-Backbone interact. energy: -0.000
local terms energy: -18.723513
where:
bonds (distance) C4'-P energy: -3.637
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.467
flat angles P-C4'-P energy: -3.441
tors. eta vs tors. theta energy: -2.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -30.181801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.181801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.181801 (E_RNA)
where:
Base-Base interactions energy: -9.564
where: short stacking energy: -9.564
Base-Backbone interact. energy: -0.000
local terms energy: -20.617470
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -3.436
flat angles P-C4'-P energy: -3.120
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: 5, replica: 10
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -31.685525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.685525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.685525 (E_RNA)
where:
Base-Base interactions energy: -13.179
where: short stacking energy: -13.179
Base-Backbone interact. energy: -0.000
local terms energy: -18.506927
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -3.515
flat angles C4'-P-C4' energy: -3.922
flat angles P-C4'-P energy: -3.511
tors. eta vs tors. theta energy: -3.273
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: 9
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -27.144380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.144380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.144380 (E_RNA)
where:
Base-Base interactions energy: -10.220
where: short stacking energy: -10.220
Base-Backbone interact. energy: -0.000
local terms energy: -16.924723
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -4.279
flat angles P-C4'-P energy: -3.268
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: 7, replica: 3
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -27.068071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.068071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.068071 (E_RNA)
where:
Base-Base interactions energy: -9.498
where: short stacking energy: -9.498
Base-Backbone interact. energy: -0.017
local terms energy: -17.553386
where:
bonds (distance) C4'-P energy: -3.479
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -3.819
flat angles P-C4'-P energy: -2.519
tors. eta vs tors. theta energy: -2.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -24.343966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.343966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.343966 (E_RNA)
where:
Base-Base interactions energy: -8.744
where: short stacking energy: -8.744
Base-Backbone interact. energy: -0.001
local terms energy: -15.599083
where:
bonds (distance) C4'-P energy: -2.681
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -4.662
flat angles P-C4'-P energy: -3.236
tors. eta vs tors. theta energy: -0.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -26.141562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.141562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.141562 (E_RNA)
where:
Base-Base interactions energy: -9.149
where: short stacking energy: -9.149
Base-Backbone interact. energy: -0.000
local terms energy: -16.992594
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.074
flat angles P-C4'-P energy: -2.201
tors. eta vs tors. theta energy: -2.069
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: 2
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -27.702540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.702540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.702540 (E_RNA)
where:
Base-Base interactions energy: -10.806
where: short stacking energy: -7.534
Base-Backbone interact. energy: -0.049
local terms energy: -16.847701
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.026
flat angles P-C4'-P energy: -1.420
tors. eta vs tors. theta energy: -2.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -35.580027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.580027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.580027 (E_RNA)
where:
Base-Base interactions energy: -16.438
where: short stacking energy: -16.438
Base-Backbone interact. energy: -0.000
local terms energy: -19.141732
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -4.167
flat angles P-C4'-P energy: -1.697
tors. eta vs tors. theta energy: -3.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -37.372905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.372905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.372905 (E_RNA)
where:
Base-Base interactions energy: -17.469
where: short stacking energy: -17.469
Base-Backbone interact. energy: -0.000
local terms energy: -19.904229
where:
bonds (distance) C4'-P energy: -4.270
bonds (distance) P-C4' energy: -4.202
flat angles C4'-P-C4' energy: -4.850
flat angles P-C4'-P energy: -2.211
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: 3, replica: 7
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -30.812282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.812282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.812282 (E_RNA)
where:
Base-Base interactions energy: -14.067
where: short stacking energy: -14.067
Base-Backbone interact. energy: -0.000
local terms energy: -16.745014
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -3.815
flat angles C4'-P-C4' energy: -4.080
flat angles P-C4'-P energy: -1.294
tors. eta vs tors. theta energy: -3.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -32.024554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.024554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.024554 (E_RNA)
where:
Base-Base interactions energy: -14.145
where: short stacking energy: -14.145
Base-Backbone interact. energy: -0.000
local terms energy: -17.879259
where:
bonds (distance) C4'-P energy: -3.637
bonds (distance) P-C4' energy: -3.786
flat angles C4'-P-C4' energy: -4.750
flat angles P-C4'-P energy: -2.676
tors. eta vs tors. theta energy: -3.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -25.841105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.841105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.841105 (E_RNA)
where:
Base-Base interactions energy: -8.396
where: short stacking energy: -8.396
Base-Backbone interact. energy: -0.000
local terms energy: -17.445549
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.392
flat angles C4'-P-C4' energy: -2.825
flat angles P-C4'-P energy: -3.593
tors. eta vs tors. theta energy: -2.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -26.320179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.320179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.320179 (E_RNA)
where:
Base-Base interactions energy: -7.974
where: short stacking energy: -7.974
Base-Backbone interact. energy: -0.000
local terms energy: -18.346053
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -4.256
flat angles P-C4'-P energy: -2.523
tors. eta vs tors. theta energy: -1.817
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: 1
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -35.816892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.816892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.816892 (E_RNA)
where:
Base-Base interactions energy: -18.318
where: short stacking energy: -11.243
Base-Backbone interact. energy: -0.003
local terms energy: -17.495741
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.176
flat angles P-C4'-P energy: -3.070
tors. eta vs tors. theta energy: -1.034
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: 8, replica: 3
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -26.719932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.719932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.719932 (E_RNA)
where:
Base-Base interactions energy: -9.105
where: short stacking energy: -9.105
Base-Backbone interact. energy: -0.000
local terms energy: -17.615060
where:
bonds (distance) C4'-P energy: -1.935
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -4.761
flat angles P-C4'-P energy: -3.004
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: 9, replica: 2
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -27.200912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.200912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.200912 (E_RNA)
where:
Base-Base interactions energy: -9.901
where: short stacking energy: -9.901
Base-Backbone interact. energy: -0.000
local terms energy: -17.299808
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -2.972
flat angles P-C4'-P energy: -2.095
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: 10, replica: 6
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -27.530873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.530873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.530873 (E_RNA)
where:
Base-Base interactions energy: -11.580
where: short stacking energy: -11.580
Base-Backbone interact. energy: -0.000
local terms energy: -15.950415
where:
bonds (distance) C4'-P energy: -0.681
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -4.746
flat angles P-C4'-P energy: -2.766
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: 1, replica: 5
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -29.666851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.666851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.666851 (E_RNA)
where:
Base-Base interactions energy: -12.711
where: short stacking energy: -12.711
Base-Backbone interact. energy: -0.094
local terms energy: -16.862002
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.839
flat angles C4'-P-C4' energy: -3.226
flat angles P-C4'-P energy: -3.823
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: 2, replica: 7
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -29.671846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.671846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.671846 (E_RNA)
where:
Base-Base interactions energy: -12.616
where: short stacking energy: -12.616
Base-Backbone interact. energy: -0.003
local terms energy: -17.052964
where:
bonds (distance) C4'-P energy: -2.146
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -4.273
flat angles P-C4'-P energy: -2.295
tors. eta vs tors. theta energy: -3.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -38.295763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.295763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.295763 (E_RNA)
where:
Base-Base interactions energy: -17.750
where: short stacking energy: -17.750
Base-Backbone interact. energy: -0.000
local terms energy: -20.545567
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.569
flat angles C4'-P-C4' energy: -4.053
flat angles P-C4'-P energy: -2.660
tors. eta vs tors. theta energy: -5.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -34.695086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.695086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.695086 (E_RNA)
where:
Base-Base interactions energy: -16.335
where: short stacking energy: -16.335
Base-Backbone interact. energy: -0.000
local terms energy: -18.360160
where:
bonds (distance) C4'-P energy: -3.372
bonds (distance) P-C4' energy: -3.818
flat angles C4'-P-C4' energy: -4.129
flat angles P-C4'-P energy: -1.950
tors. eta vs tors. theta energy: -5.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -26.273440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.273440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.273440 (E_RNA)
where:
Base-Base interactions energy: -8.124
where: short stacking energy: -8.124
Base-Backbone interact. energy: -0.001
local terms energy: -18.148964
where:
bonds (distance) C4'-P energy: -4.634
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -3.802
flat angles P-C4'-P energy: -3.074
tors. eta vs tors. theta energy: -1.757
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: 187
Temperature: 1.150000
Total energy: -31.031829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.031829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.031829 (E_RNA)
where:
Base-Base interactions energy: -14.187
where: short stacking energy: -14.187
Base-Backbone interact. energy: -0.000
local terms energy: -16.844531
where:
bonds (distance) C4'-P energy: -3.372
bonds (distance) P-C4' energy: -4.339
flat angles C4'-P-C4' energy: -1.688
flat angles P-C4'-P energy: -3.738
tors. eta vs tors. theta energy: -3.708
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: 7, replica: 10
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -33.538148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.538148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.538148 (E_RNA)
where:
Base-Base interactions energy: -12.510
where: short stacking energy: -12.510
Base-Backbone interact. energy: -0.000
local terms energy: -21.028141
where:
bonds (distance) C4'-P energy: -3.414
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -4.438
flat angles P-C4'-P energy: -3.318
tors. eta vs tors. theta energy: -4.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -25.773880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.773880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.773880 (E_RNA)
where:
Base-Base interactions energy: -9.705
where: short stacking energy: -9.705
Base-Backbone interact. energy: -0.003
local terms energy: -16.066345
where:
bonds (distance) C4'-P energy: -3.363
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.815
flat angles P-C4'-P energy: -2.399
tors. eta vs tors. theta energy: -1.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -27.441037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.441037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.441037 (E_RNA)
where:
Base-Base interactions energy: -10.117
where: short stacking energy: -10.117
Base-Backbone interact. energy: -0.000
local terms energy: -17.323625
where:
bonds (distance) C4'-P energy: -3.567
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.835
flat angles P-C4'-P energy: -1.014
tors. eta vs tors. theta energy: -2.793
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: 6
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -28.711441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.711441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.711441 (E_RNA)
where:
Base-Base interactions energy: -12.836
where: short stacking energy: -12.836
Base-Backbone interact. energy: -0.000
local terms energy: -15.875410
where:
bonds (distance) C4'-P energy: -1.178
bonds (distance) P-C4' energy: -3.944
flat angles C4'-P-C4' energy: -3.970
flat angles P-C4'-P energy: -2.802
tors. eta vs tors. theta energy: -3.980
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: 7
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -37.797918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.797918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.797918 (E_RNA)
where:
Base-Base interactions energy: -18.859
where: short stacking energy: -18.859
Base-Backbone interact. energy: -0.000
local terms energy: -18.938960
where:
bonds (distance) C4'-P energy: -3.161
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.709
flat angles P-C4'-P energy: -3.892
tors. eta vs tors. theta energy: -2.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -33.794153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.794153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.794153 (E_RNA)
where:
Base-Base interactions energy: -14.089
where: short stacking energy: -14.089
Base-Backbone interact. energy: -0.000
local terms energy: -19.705342
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.419
flat angles P-C4'-P energy: -2.667
tors. eta vs tors. theta energy: -2.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -30.203283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.203283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.203283 (E_RNA)
where:
Base-Base interactions energy: -13.793
where: short stacking energy: -13.793
Base-Backbone interact. energy: -0.000
local terms energy: -16.410701
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -1.796
flat angles C4'-P-C4' energy: -3.728
flat angles P-C4'-P energy: -3.399
tors. eta vs tors. theta energy: -3.094
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: 4, replica: 8
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -26.847956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.847956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.847956 (E_RNA)
where:
Base-Base interactions energy: -8.480
where: short stacking energy: -8.480
Base-Backbone interact. energy: -0.000
local terms energy: -18.367633
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -3.845
flat angles P-C4'-P energy: -2.871
tors. eta vs tors. theta energy: -1.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -29.669532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.669532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.669532 (E_RNA)
where:
Base-Base interactions energy: -12.777
where: short stacking energy: -12.777
Base-Backbone interact. energy: -0.000
local terms energy: -16.892332
where:
bonds (distance) C4'-P energy: -4.419
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -4.168
flat angles P-C4'-P energy: -2.561
tors. eta vs tors. theta energy: -1.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -32.825581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.825581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.825581 (E_RNA)
where:
Base-Base interactions energy: -14.201
where: short stacking energy: -12.952
Base-Backbone interact. energy: -0.003
local terms energy: -18.621872
where:
bonds (distance) C4'-P energy: -3.745
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -3.306
flat angles P-C4'-P energy: -3.594
tors. eta vs tors. theta energy: -2.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -25.944909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.944909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.944909 (E_RNA)
where:
Base-Base interactions energy: -10.533
where: short stacking energy: -10.533
Base-Backbone interact. energy: -0.000
local terms energy: -15.411409
where:
bonds (distance) C4'-P energy: -4.634
bonds (distance) P-C4' energy: -2.870
flat angles C4'-P-C4' energy: -4.290
flat angles P-C4'-P energy: -2.288
tors. eta vs tors. theta energy: -1.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -24.989595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.989595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.989595 (E_RNA)
where:
Base-Base interactions energy: -10.338
where: short stacking energy: -10.338
Base-Backbone interact. energy: -0.023
local terms energy: -14.627919
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -2.919
flat angles P-C4'-P energy: -1.542
tors. eta vs tors. theta energy: -1.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -28.917201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.917201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.917201 (E_RNA)
where:
Base-Base interactions energy: -11.724
where: short stacking energy: -6.405
Base-Backbone interact. energy: -0.013
local terms energy: -17.179882
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.662
flat angles P-C4'-P energy: -2.466
tors. eta vs tors. theta energy: -0.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -23.026862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.026862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.026862 (E_RNA)
where:
Base-Base interactions energy: -8.210
where: short stacking energy: -4.451
Base-Backbone interact. energy: 0.743
local terms energy: -15.559616
where:
bonds (distance) C4'-P energy: -2.225
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -4.104
flat angles P-C4'-P energy: -3.509
tors. eta vs tors. theta energy: -0.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -33.551621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.551621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.551621 (E_RNA)
where:
Base-Base interactions energy: -13.347
where: short stacking energy: -13.347
Base-Backbone interact. energy: -0.000
local terms energy: -20.204356
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -4.325
flat angles P-C4'-P energy: -3.489
tors. eta vs tors. theta energy: -2.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -32.178214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.178214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.178214 (E_RNA)
where:
Base-Base interactions energy: -13.545
where: short stacking energy: -13.545
Base-Backbone interact. energy: -0.021
local terms energy: -18.612163
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.328
flat angles P-C4'-P energy: -2.704
tors. eta vs tors. theta energy: -1.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -37.427749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.427749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.427749 (E_RNA)
where:
Base-Base interactions energy: -16.006
where: short stacking energy: -16.006
Base-Backbone interact. energy: -0.000
local terms energy: -21.421771
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.138
flat angles P-C4'-P energy: -3.042
tors. eta vs tors. theta energy: -4.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -34.698450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.698450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.698450 (E_RNA)
where:
Base-Base interactions energy: -16.140
where: short stacking energy: -16.140
Base-Backbone interact. energy: -0.000
local terms energy: -18.558821
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -3.676
flat angles P-C4'-P energy: -0.680
tors. eta vs tors. theta energy: -5.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -32.390936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.390936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.390936 (E_RNA)
where:
Base-Base interactions energy: -15.783
where: short stacking energy: -15.783
Base-Backbone interact. energy: -0.000
local terms energy: -16.608146
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -4.656
flat angles C4'-P-C4' energy: -3.368
flat angles P-C4'-P energy: -1.381
tors. eta vs tors. theta energy: -3.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -32.994848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.994848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.994848 (E_RNA)
where:
Base-Base interactions energy: -15.192
where: short stacking energy: -15.192
Base-Backbone interact. energy: -0.000
local terms energy: -17.803070
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -3.479
flat angles P-C4'-P energy: -1.046
tors. eta vs tors. theta energy: -4.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -26.598794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.598794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.598794 (E_RNA)
where:
Base-Base interactions energy: -7.474
where: short stacking energy: -7.474
Base-Backbone interact. energy: -0.000
local terms energy: -19.124420
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -4.011
flat angles P-C4'-P energy: -3.805
tors. eta vs tors. theta energy: -1.442
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: 8, replica: 6
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -28.573662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.573662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.573662 (E_RNA)
where:
Base-Base interactions energy: -10.669
where: short stacking energy: -10.669
Base-Backbone interact. energy: -0.000
local terms energy: -17.905091
where:
bonds (distance) C4'-P energy: -3.372
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.472
flat angles P-C4'-P energy: -2.498
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: 9, replica: 10
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -29.723043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.723043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.723043 (E_RNA)
where:
Base-Base interactions energy: -12.168
where: short stacking energy: -12.168
Base-Backbone interact. energy: -0.021
local terms energy: -17.534258
where:
bonds (distance) C4'-P energy: -2.859
bonds (distance) P-C4' energy: -4.624
flat angles C4'-P-C4' energy: -4.731
flat angles P-C4'-P energy: -3.815
tors. eta vs tors. theta energy: -1.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -26.281329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.281329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.281329 (E_RNA)
where:
Base-Base interactions energy: -12.172
where: short stacking energy: -12.172
Base-Backbone interact. energy: -0.038
local terms energy: -14.071933
where:
bonds (distance) C4'-P energy: -1.969
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -3.870
flat angles P-C4'-P energy: -2.541
tors. eta vs tors. theta energy: -0.811
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: 9
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -39.328165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.328165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.328165 (E_RNA)
where:
Base-Base interactions energy: -16.665
where: short stacking energy: -16.665
Base-Backbone interact. energy: -0.000
local terms energy: -22.662675
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -4.628
flat angles C4'-P-C4' energy: -4.383
flat angles P-C4'-P energy: -4.155
tors. eta vs tors. theta energy: -5.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -36.193285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.193285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.193285 (E_RNA)
where:
Base-Base interactions energy: -16.464
where: short stacking energy: -16.464
Base-Backbone interact. energy: -0.000
local terms energy: -19.729092
where:
bonds (distance) C4'-P energy: -3.781
bonds (distance) P-C4' energy: -5.361
flat angles C4'-P-C4' energy: -3.677
flat angles P-C4'-P energy: -3.270
tors. eta vs tors. theta energy: -3.640
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: 8
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -28.824224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.824224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.824224 (E_RNA)
where:
Base-Base interactions energy: -13.639
where: short stacking energy: -13.639
Base-Backbone interact. energy: -0.000
local terms energy: -15.185349
where:
bonds (distance) C4'-P energy: -4.742
bonds (distance) P-C4' energy: -2.842
flat angles C4'-P-C4' energy: -2.574
flat angles P-C4'-P energy: -2.665
tors. eta vs tors. theta energy: -2.363
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: 5
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -28.723387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.723387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.723387 (E_RNA)
where:
Base-Base interactions energy: -11.332
where: short stacking energy: -11.332
Base-Backbone interact. energy: -0.000
local terms energy: -17.391633
where:
bonds (distance) C4'-P energy: -2.556
bonds (distance) P-C4' energy: -4.413
flat angles C4'-P-C4' energy: -4.324
flat angles P-C4'-P energy: -3.683
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: 5, replica: 1
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -30.641836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.641836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.641836 (E_RNA)
where:
Base-Base interactions energy: -15.821
where: short stacking energy: -15.821
Base-Backbone interact. energy: -0.000
local terms energy: -14.820654
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -4.205
flat angles C4'-P-C4' energy: -0.918
flat angles P-C4'-P energy: -2.254
tors. eta vs tors. theta energy: -3.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -28.874071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.874071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.874071 (E_RNA)
where:
Base-Base interactions energy: -14.235
where: short stacking energy: -9.037
Base-Backbone interact. energy: -0.043
local terms energy: -14.596144
where:
bonds (distance) C4'-P energy: -2.503
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -2.726
flat angles P-C4'-P energy: -2.427
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: 7, replica: 6
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -33.982587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.982587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.982587 (E_RNA)
where:
Base-Base interactions energy: -14.046
where: short stacking energy: -14.046
Base-Backbone interact. energy: -0.000
local terms energy: -19.936892
where:
bonds (distance) C4'-P energy: -2.867
bonds (distance) P-C4' energy: -4.624
flat angles C4'-P-C4' energy: -4.272
flat angles P-C4'-P energy: -3.053
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: 8, replica: 4
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -30.180346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.180346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.180346 (E_RNA)
where:
Base-Base interactions energy: -17.345
where: short stacking energy: -17.345
Base-Backbone interact. energy: -0.000
local terms energy: -12.835045
where:
bonds (distance) C4'-P energy: -0.718
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -4.295
flat angles P-C4'-P energy: 0.639
tors. eta vs tors. theta energy: -3.336
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: 3
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -23.381573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.381573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.381573 (E_RNA)
where:
Base-Base interactions energy: -7.075
where: short stacking energy: -7.075
Base-Backbone interact. energy: -0.000
local terms energy: -16.306461
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -2.590
flat angles P-C4'-P energy: -3.721
tors. eta vs tors. theta energy: -0.392
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: 10
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -24.089341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.089341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.089341 (E_RNA)
where:
Base-Base interactions energy: -9.554
where: short stacking energy: -9.554
Base-Backbone interact. energy: -0.000
local terms energy: -14.535131
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -0.215
flat angles P-C4'-P energy: -2.128
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: 1, replica: 9
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -34.060352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.060352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.060352 (E_RNA)
where:
Base-Base interactions energy: -13.271
where: short stacking energy: -13.271
Base-Backbone interact. energy: -0.000
local terms energy: -20.789461
where:
bonds (distance) C4'-P energy: -3.691
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.030
flat angles P-C4'-P energy: -3.502
tors. eta vs tors. theta energy: -4.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -34.230111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.230111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.230111 (E_RNA)
where:
Base-Base interactions energy: -14.608
where: short stacking energy: -14.608
Base-Backbone interact. energy: -0.000
local terms energy: -19.621798
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.615
flat angles P-C4'-P energy: -3.428
tors. eta vs tors. theta energy: -3.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -32.862680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.862680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.862680 (E_RNA)
where:
Base-Base interactions energy: -13.627
where: short stacking energy: -13.627
Base-Backbone interact. energy: -0.000
local terms energy: -19.236136
where:
bonds (distance) C4'-P energy: -3.637
bonds (distance) P-C4' energy: -4.336
flat angles C4'-P-C4' energy: -4.271
flat angles P-C4'-P energy: -3.692
tors. eta vs tors. theta energy: -3.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -33.552110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.552110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.552110 (E_RNA)
where:
Base-Base interactions energy: -13.052
where: short stacking energy: -13.052
Base-Backbone interact. energy: -0.000
local terms energy: -20.500213
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.233
flat angles P-C4'-P energy: -3.405
tors. eta vs tors. theta energy: -3.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -36.040455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.040455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.040455 (E_RNA)
where:
Base-Base interactions energy: -16.642
where: short stacking energy: -16.642
Base-Backbone interact. energy: -0.000
local terms energy: -19.398562
where:
bonds (distance) C4'-P energy: -3.335
bonds (distance) P-C4' energy: -4.205
flat angles C4'-P-C4' energy: -3.919
flat angles P-C4'-P energy: -2.903
tors. eta vs tors. theta energy: -5.036
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: 6, replica: 2
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -27.565471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.565471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.565471 (E_RNA)
where:
Base-Base interactions energy: -9.145
where: short stacking energy: -9.145
Base-Backbone interact. energy: -0.000
local terms energy: -18.419932
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -3.033
flat angles P-C4'-P energy: -1.420
tors. eta vs tors. theta energy: -4.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -31.496798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.496798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.496798 (E_RNA)
where:
Base-Base interactions energy: -15.199
where: short stacking energy: -15.199
Base-Backbone interact. energy: -0.000
local terms energy: -16.297813
where:
bonds (distance) C4'-P energy: -4.009
bonds (distance) P-C4' energy: -4.569
flat angles C4'-P-C4' energy: -1.592
flat angles P-C4'-P energy: -2.894
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: 8, replica: 3
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -28.084735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.084735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.084735 (E_RNA)
where:
Base-Base interactions energy: -12.321
where: short stacking energy: -12.321
Base-Backbone interact. energy: -0.000
local terms energy: -15.763951
where:
bonds (distance) C4'-P energy: -1.492
bonds (distance) P-C4' energy: -4.367
flat angles C4'-P-C4' energy: -3.569
flat angles P-C4'-P energy: -3.064
tors. eta vs tors. theta energy: -3.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -26.049433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.049433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.049433 (E_RNA)
where:
Base-Base interactions energy: -8.557
where: short stacking energy: -8.557
Base-Backbone interact. energy: -0.000
local terms energy: -17.492854
where:
bonds (distance) C4'-P energy: -4.634
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -4.360
flat angles P-C4'-P energy: -0.951
tors. eta vs tors. theta energy: -2.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -28.134060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.134060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.134060 (E_RNA)
where:
Base-Base interactions energy: -13.224
where: short stacking energy: -13.224
Base-Backbone interact. energy: -0.001
local terms energy: -14.909328
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -4.867
flat angles C4'-P-C4' energy: -0.886
flat angles P-C4'-P energy: -2.957
tors. eta vs tors. theta energy: -2.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -37.957978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.957978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.957978 (E_RNA)
where:
Base-Base interactions energy: -17.424
where: short stacking energy: -17.424
Base-Backbone interact. energy: -0.000
local terms energy: -20.534046
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.558
flat angles P-C4'-P energy: -2.422
tors. eta vs tors. theta energy: -5.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -32.775682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.775682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.775682 (E_RNA)
where:
Base-Base interactions energy: -12.365
where: short stacking energy: -12.365
Base-Backbone interact. energy: -0.000
local terms energy: -20.410670
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -4.892
flat angles C4'-P-C4' energy: -4.687
flat angles P-C4'-P energy: -3.547
tors. eta vs tors. theta energy: -3.060
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: 1
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -32.768348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.768348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.768348 (E_RNA)
where:
Base-Base interactions energy: -13.209
where: short stacking energy: -13.209
Base-Backbone interact. energy: -0.000
local terms energy: -19.559347
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -4.177
flat angles C4'-P-C4' energy: -4.564
flat angles P-C4'-P energy: -3.850
tors. eta vs tors. theta energy: -3.161
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: 7
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -30.269818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.269818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.269818 (E_RNA)
where:
Base-Base interactions energy: -11.723
where: short stacking energy: -11.227
Base-Backbone interact. energy: -0.031
local terms energy: -18.515269
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.459
flat angles P-C4'-P energy: -3.653
tors. eta vs tors. theta energy: -2.059
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: 5, replica: 2
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -31.395086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.395086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.395086 (E_RNA)
where:
Base-Base interactions energy: -13.947
where: short stacking energy: -13.947
Base-Backbone interact. energy: -0.000
local terms energy: -17.447780
where:
bonds (distance) C4'-P energy: -3.645
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -4.311
flat angles P-C4'-P energy: -2.010
tors. eta vs tors. theta energy: -2.124
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: 5
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -34.084450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.084450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.084450 (E_RNA)
where:
Base-Base interactions energy: -16.124
where: short stacking energy: -16.124
Base-Backbone interact. energy: -0.000
local terms energy: -17.960067
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -3.654
flat angles P-C4'-P energy: -2.091
tors. eta vs tors. theta energy: -3.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -24.285657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.285657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.285657 (E_RNA)
where:
Base-Base interactions energy: -8.427
where: short stacking energy: -8.427
Base-Backbone interact. energy: -0.002
local terms energy: -15.856801
where:
bonds (distance) C4'-P energy: -3.152
bonds (distance) P-C4' energy: -3.494
flat angles C4'-P-C4' energy: -3.137
flat angles P-C4'-P energy: -3.370
tors. eta vs tors. theta energy: -2.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -25.313273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.313273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.313273 (E_RNA)
where:
Base-Base interactions energy: -9.159
where: short stacking energy: -9.159
Base-Backbone interact. energy: -0.000
local terms energy: -16.154487
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -3.708
flat angles C4'-P-C4' energy: -3.853
flat angles P-C4'-P energy: -3.208
tors. eta vs tors. theta energy: -1.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -25.208203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.208203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.208203 (E_RNA)
where:
Base-Base interactions energy: -10.346
where: short stacking energy: -10.346
Base-Backbone interact. energy: -0.000
local terms energy: -14.861703
where:
bonds (distance) C4'-P energy: -2.954
bonds (distance) P-C4' energy: -2.606
flat angles C4'-P-C4' energy: -3.728
flat angles P-C4'-P energy: -3.647
tors. eta vs tors. theta energy: -1.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -27.865586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.865586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.865586 (E_RNA)
where:
Base-Base interactions energy: -12.701
where: short stacking energy: -12.701
Base-Backbone interact. energy: -0.000
local terms energy: -15.164748
where:
bonds (distance) C4'-P energy: -2.751
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -3.715
flat angles P-C4'-P energy: -1.059
tors. eta vs tors. theta energy: -2.758
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: 8
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -40.334514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.334514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.334514 (E_RNA)
where:
Base-Base interactions energy: -18.252
where: short stacking energy: -18.252
Base-Backbone interact. energy: -0.000
local terms energy: -22.082492
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -4.343
flat angles C4'-P-C4' energy: -4.644
flat angles P-C4'-P energy: -3.636
tors. eta vs tors. theta energy: -5.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -34.045617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.045617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.045617 (E_RNA)
where:
Base-Base interactions energy: -13.825
where: short stacking energy: -13.825
Base-Backbone interact. energy: -0.000
local terms energy: -20.220717
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -4.842
flat angles C4'-P-C4' energy: -4.394
flat angles P-C4'-P energy: -3.887
tors. eta vs tors. theta energy: -2.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -26.802282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.802282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.802282 (E_RNA)
where:
Base-Base interactions energy: -8.079
where: short stacking energy: -8.079
Base-Backbone interact. energy: -0.069
local terms energy: -18.654430
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -4.603
flat angles C4'-P-C4' energy: -4.782
flat angles P-C4'-P energy: -3.173
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: 4, replica: 2
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -34.190948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.190948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.190948 (E_RNA)
where:
Base-Base interactions energy: -16.034
where: short stacking energy: -16.034
Base-Backbone interact. energy: -0.000
local terms energy: -18.156676
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.600
flat angles C4'-P-C4' energy: -4.256
flat angles P-C4'-P energy: -1.420
tors. eta vs tors. theta energy: -3.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -32.492054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.492054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.492054 (E_RNA)
where:
Base-Base interactions energy: -13.805
where: short stacking energy: -13.805
Base-Backbone interact. energy: -0.000
local terms energy: -18.686805
where:
bonds (distance) C4'-P energy: -2.263
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -3.942
flat angles P-C4'-P energy: -3.588
tors. eta vs tors. theta energy: -4.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -32.307954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.307954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.307954 (E_RNA)
where:
Base-Base interactions energy: -13.288
where: short stacking energy: -13.288
Base-Backbone interact. energy: -0.000
local terms energy: -19.020249
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -5.128
flat angles C4'-P-C4' energy: -3.690
flat angles P-C4'-P energy: -3.518
tors. eta vs tors. theta energy: -3.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -25.324792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.324792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.324792 (E_RNA)
where:
Base-Base interactions energy: -11.301
where: short stacking energy: -11.301
Base-Backbone interact. energy: 0.184
local terms energy: -14.208581
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -2.867
flat angles C4'-P-C4' energy: -3.905
flat angles P-C4'-P energy: -2.010
tors. eta vs tors. theta energy: -1.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -24.372911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.372911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.372911 (E_RNA)
where:
Base-Base interactions energy: -7.317
where: short stacking energy: -7.317
Base-Backbone interact. energy: -0.000
local terms energy: -17.055497
where:
bonds (distance) C4'-P energy: -3.459
bonds (distance) P-C4' energy: -3.656
flat angles C4'-P-C4' energy: -4.727
flat angles P-C4'-P energy: -3.136
tors. eta vs tors. theta energy: -2.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -31.359999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.359999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.359999 (E_RNA)
where:
Base-Base interactions energy: -12.255
where: short stacking energy: -12.255
Base-Backbone interact. energy: -0.000
local terms energy: -19.104701
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -3.220
flat angles P-C4'-P energy: -1.479
tors. eta vs tors. theta energy: -5.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -24.641573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.641573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.641573 (E_RNA)
where:
Base-Base interactions energy: -6.735
where: short stacking energy: -6.735
Base-Backbone interact. energy: -0.000
local terms energy: -17.906321
where:
bonds (distance) C4'-P energy: -3.211
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -4.383
flat angles P-C4'-P energy: -3.946
tors. eta vs tors. theta energy: -1.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -33.010247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.010247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.010247 (E_RNA)
where:
Base-Base interactions energy: -13.374
where: short stacking energy: -13.374
Base-Backbone interact. energy: -0.000
local terms energy: -19.635917
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -4.051
flat angles C4'-P-C4' energy: -4.271
flat angles P-C4'-P energy: -3.234
tors. eta vs tors. theta energy: -4.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -33.622049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.622049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.622049 (E_RNA)
where:
Base-Base interactions energy: -17.285
where: short stacking energy: -7.903
Base-Backbone interact. energy: -0.004
local terms energy: -16.332373
where:
bonds (distance) C4'-P energy: -3.691
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -4.009
flat angles P-C4'-P energy: -2.590
tors. eta vs tors. theta energy: -0.942
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: 2
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -32.022284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.022284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.022284 (E_RNA)
where:
Base-Base interactions energy: -13.042
where: short stacking energy: -11.798
Base-Backbone interact. energy: -1.017
local terms energy: -17.963175
where:
bonds (distance) C4'-P energy: -2.379
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.305
flat angles P-C4'-P energy: -2.752
tors. eta vs tors. theta energy: -3.177
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: 9
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -31.984655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.984655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.984655 (E_RNA)
where:
Base-Base interactions energy: -12.694
where: short stacking energy: -12.694
Base-Backbone interact. energy: -0.000
local terms energy: -19.290940
where:
bonds (distance) C4'-P energy: -3.256
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -4.539
flat angles P-C4'-P energy: -3.777
tors. eta vs tors. theta energy: -3.049
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: 3
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -31.283048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.283048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.283048 (E_RNA)
where:
Base-Base interactions energy: -11.979
where: short stacking energy: -11.979
Base-Backbone interact. energy: -0.000
local terms energy: -19.303907
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -3.578
flat angles C4'-P-C4' energy: -4.046
flat angles P-C4'-P energy: -2.882
tors. eta vs tors. theta energy: -5.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -28.999147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.999147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.999147 (E_RNA)
where:
Base-Base interactions energy: -12.619
where: short stacking energy: -12.619
Base-Backbone interact. energy: -0.000
local terms energy: -16.380325
where:
bonds (distance) C4'-P energy: -3.479
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.430
flat angles P-C4'-P energy: -1.181
tors. eta vs tors. theta energy: -2.939
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: 194
Temperature: 1.200000
Total energy: -25.616788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.616788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.616788 (E_RNA)
where:
Base-Base interactions energy: -7.953
where: short stacking energy: -7.953
Base-Backbone interact. energy: -0.000
local terms energy: -17.663771
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -4.378
flat angles P-C4'-P energy: -1.082
tors. eta vs tors. theta energy: -3.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -24.337410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.337410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.337410 (E_RNA)
where:
Base-Base interactions energy: -7.658
where: short stacking energy: -7.658
Base-Backbone interact. energy: -0.001
local terms energy: -16.678269
where:
bonds (distance) C4'-P energy: -4.303
bonds (distance) P-C4' energy: -4.311
flat angles C4'-P-C4' energy: -4.716
flat angles P-C4'-P energy: -3.096
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: 9, replica: 4
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -25.833409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.833409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.833409 (E_RNA)
where:
Base-Base interactions energy: -10.681
where: short stacking energy: -10.681
Base-Backbone interact. energy: -0.038
local terms energy: -15.114557
where:
bonds (distance) C4'-P energy: -2.387
bonds (distance) P-C4' energy: -4.420
flat angles C4'-P-C4' energy: -3.690
flat angles P-C4'-P energy: -2.875
tors. eta vs tors. theta energy: -1.743
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: 6
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -29.192061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.192061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.192061 (E_RNA)
where:
Base-Base interactions energy: -10.721
where: short stacking energy: -10.721
Base-Backbone interact. energy: -0.000
local terms energy: -18.470887
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.394
flat angles P-C4'-P energy: -3.009
tors. eta vs tors. theta energy: -1.844
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: 1
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -38.081760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.081760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.081760 (E_RNA)
where:
Base-Base interactions energy: -17.320
where: short stacking energy: -17.320
Base-Backbone interact. energy: -0.000
local terms energy: -20.761614
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -3.984
flat angles C4'-P-C4' energy: -4.574
flat angles P-C4'-P energy: -3.612
tors. eta vs tors. theta energy: -4.181
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: 195
Temperature: 0.950000
Total energy: -35.076126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.076126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.076126 (E_RNA)
where:
Base-Base interactions energy: -13.172
where: short stacking energy: -13.172
Base-Backbone interact. energy: -0.000
local terms energy: -21.904605
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.514
flat angles P-C4'-P energy: -2.935
tors. eta vs tors. theta energy: -5.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -39.264274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.264274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.264274 (E_RNA)
where:
Base-Base interactions energy: -17.853
where: short stacking energy: -17.853
Base-Backbone interact. energy: -0.000
local terms energy: -21.411758
where:
bonds (distance) C4'-P energy: -3.745
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.625
flat angles P-C4'-P energy: -2.300
tors. eta vs tors. theta energy: -5.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -30.003162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.003162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.003162 (E_RNA)
where:
Base-Base interactions energy: -11.315
where: short stacking energy: -11.315
Base-Backbone interact. energy: -0.000
local terms energy: -18.688314
where:
bonds (distance) C4'-P energy: -3.152
bonds (distance) P-C4' energy: -4.628
flat angles C4'-P-C4' energy: -4.500
flat angles P-C4'-P energy: -3.070
tors. eta vs tors. theta energy: -3.338
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: 5, replica: 9
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -29.599107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.599107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.599107 (E_RNA)
where:
Base-Base interactions energy: -12.873
where: short stacking energy: -12.873
Base-Backbone interact. energy: -0.074
local terms energy: -16.652643
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -2.985
flat angles P-C4'-P energy: -2.240
tors. eta vs tors. theta energy: -2.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -30.322579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.322579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.322579 (E_RNA)
where:
Base-Base interactions energy: -10.223
where: short stacking energy: -10.223
Base-Backbone interact. energy: -0.000
local terms energy: -20.099721
where:
bonds (distance) C4'-P energy: -3.389
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -4.182
flat angles P-C4'-P energy: -1.952
tors. eta vs tors. theta energy: -5.229
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: 7, replica: 7
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -32.773041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.773041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.773041 (E_RNA)
where:
Base-Base interactions energy: -14.354
where: short stacking energy: -14.354
Base-Backbone interact. energy: -0.000
local terms energy: -18.419030
where:
bonds (distance) C4'-P energy: -4.427
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -2.773
flat angles P-C4'-P energy: -3.011
tors. eta vs tors. theta energy: -3.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -25.461875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.461875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.461875 (E_RNA)
where:
Base-Base interactions energy: -7.528
where: short stacking energy: -7.528
Base-Backbone interact. energy: 1.398
local terms energy: -19.331621
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -3.865
flat angles P-C4'-P energy: -3.682
tors. eta vs tors. theta energy: -2.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -28.618422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.618422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.618422 (E_RNA)
where:
Base-Base interactions energy: -11.632
where: short stacking energy: -11.632
Base-Backbone interact. energy: -0.000
local terms energy: -16.986041
where:
bonds (distance) C4'-P energy: -2.510
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -3.674
flat angles P-C4'-P energy: -3.920
tors. eta vs tors. theta energy: -2.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -20.052204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.052204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.052204 (E_RNA)
where:
Base-Base interactions energy: -4.091
where: short stacking energy: -4.091
Base-Backbone interact. energy: -0.000
local terms energy: -15.961600
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -3.634
flat angles C4'-P-C4' energy: -4.746
flat angles P-C4'-P energy: -2.776
tors. eta vs tors. theta energy: -0.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -36.304441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.304441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.304441 (E_RNA)
where:
Base-Base interactions energy: -17.405
where: short stacking energy: -17.405
Base-Backbone interact. energy: -0.000
local terms energy: -18.899138
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.137
flat angles C4'-P-C4' energy: -3.532
flat angles P-C4'-P energy: -3.150
tors. eta vs tors. theta energy: -3.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -35.724255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.724255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.724255 (E_RNA)
where:
Base-Base interactions energy: -17.200
where: short stacking energy: -17.200
Base-Backbone interact. energy: -0.000
local terms energy: -18.524221
where:
bonds (distance) C4'-P energy: -3.314
bonds (distance) P-C4' energy: -3.293
flat angles C4'-P-C4' energy: -4.871
flat angles P-C4'-P energy: -3.532
tors. eta vs tors. theta energy: -3.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -30.084717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.084717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.084717 (E_RNA)
where:
Base-Base interactions energy: -12.441
where: short stacking energy: -12.441
Base-Backbone interact. energy: -0.001
local terms energy: -17.643136
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -3.324
flat angles C4'-P-C4' energy: -4.150
flat angles P-C4'-P energy: -3.709
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: 4, replica: 8
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -32.613531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.613531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.613531 (E_RNA)
where:
Base-Base interactions energy: -14.061
where: short stacking energy: -14.061
Base-Backbone interact. energy: -0.000
local terms energy: -18.552194
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -3.476
flat angles P-C4'-P energy: -1.576
tors. eta vs tors. theta energy: -4.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -33.696843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.696843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.696843 (E_RNA)
where:
Base-Base interactions energy: -16.296
where: short stacking energy: -16.296
Base-Backbone interact. energy: -0.000
local terms energy: -17.400690
where:
bonds (distance) C4'-P energy: -0.842
bonds (distance) P-C4' energy: -4.674
flat angles C4'-P-C4' energy: -3.910
flat angles P-C4'-P energy: -2.597
tors. eta vs tors. theta energy: -5.377
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: 9
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -36.380995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.380995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.380995 (E_RNA)
where:
Base-Base interactions energy: -16.662
where: short stacking energy: -16.662
Base-Backbone interact. energy: -0.000
local terms energy: -19.719439
where:
bonds (distance) C4'-P energy: -3.708
bonds (distance) P-C4' energy: -3.332
flat angles C4'-P-C4' energy: -3.941
flat angles P-C4'-P energy: -3.481
tors. eta vs tors. theta energy: -5.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -31.486354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.486354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.486354 (E_RNA)
where:
Base-Base interactions energy: -13.274
where: short stacking energy: -13.274
Base-Backbone interact. energy: -0.004
local terms energy: -18.208386
where:
bonds (distance) C4'-P energy: -4.055
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.885
flat angles P-C4'-P energy: -3.865
tors. eta vs tors. theta energy: -1.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -26.464438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.464438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.464438 (E_RNA)
where:
Base-Base interactions energy: -6.655
where: short stacking energy: -6.655
Base-Backbone interact. energy: -0.000
local terms energy: -19.809674
where:
bonds (distance) C4'-P energy: -4.154
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.853
flat angles P-C4'-P energy: -2.802
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: 6
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -24.285469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.285469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.285469 (E_RNA)
where:
Base-Base interactions energy: -6.218
where: short stacking energy: -6.218
Base-Backbone interact. energy: -0.004
local terms energy: -18.063504
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -4.174
flat angles C4'-P-C4' energy: -4.592
flat angles P-C4'-P energy: -3.490
tors. eta vs tors. theta energy: -1.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -24.456446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.456446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.456446 (E_RNA)
where:
Base-Base interactions energy: -7.719
where: short stacking energy: -7.719
Base-Backbone interact. energy: -0.088
local terms energy: -16.649215
where:
bonds (distance) C4'-P energy: -3.708
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.610
flat angles P-C4'-P energy: -0.691
tors. eta vs tors. theta energy: -2.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -33.900691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.900691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.900691 (E_RNA)
where:
Base-Base interactions energy: -14.432
where: short stacking energy: -14.432
Base-Backbone interact. energy: -0.000
local terms energy: -19.468803
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.583
flat angles P-C4'-P energy: -3.502
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: 2, replica: 3
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -26.197854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.197854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.197854 (E_RNA)
where:
Base-Base interactions energy: -8.158
where: short stacking energy: -8.158
Base-Backbone interact. energy: -0.083
local terms energy: -17.957156
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.324
flat angles P-C4'-P energy: -3.691
tors. eta vs tors. theta energy: -1.300
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: 1
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -34.011721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.011721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.011721 (E_RNA)
where:
Base-Base interactions energy: -14.958
where: short stacking energy: -14.958
Base-Backbone interact. energy: -0.000
local terms energy: -19.053798
where:
bonds (distance) C4'-P energy: -3.522
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -3.772
flat angles P-C4'-P energy: -3.234
tors. eta vs tors. theta energy: -4.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -28.816910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.816910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.816910 (E_RNA)
where:
Base-Base interactions energy: -14.558
where: short stacking energy: -14.558
Base-Backbone interact. energy: -0.001
local terms energy: -14.257567
where:
bonds (distance) C4'-P energy: -3.558
bonds (distance) P-C4' energy: -2.419
flat angles C4'-P-C4' energy: -3.851
flat angles P-C4'-P energy: -2.449
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: 5, replica: 8
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -24.863745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.863745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.863745 (E_RNA)
where:
Base-Base interactions energy: -7.993
where: short stacking energy: -7.993
Base-Backbone interact. energy: -0.009
local terms energy: -16.862051
where:
bonds (distance) C4'-P energy: -3.380
bonds (distance) P-C4' energy: -4.395
flat angles C4'-P-C4' energy: -3.694
flat angles P-C4'-P energy: -1.491
tors. eta vs tors. theta energy: -3.902
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: 4
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -25.859367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.859367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.859367 (E_RNA)
where:
Base-Base interactions energy: -7.143
where: short stacking energy: -7.143
Base-Backbone interact. energy: -0.000
local terms energy: -18.716537
where:
bonds (distance) C4'-P energy: -4.055
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.475
flat angles P-C4'-P energy: -2.377
tors. eta vs tors. theta energy: -3.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -25.200004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.200004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.200004 (E_RNA)
where:
Base-Base interactions energy: -8.290
where: short stacking energy: -8.290
Base-Backbone interact. energy: -0.017
local terms energy: -16.892791
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -3.661
flat angles P-C4'-P energy: -3.057
tors. eta vs tors. theta energy: -1.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -25.708757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.708757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.708757 (E_RNA)
where:
Base-Base interactions energy: -8.964
where: short stacking energy: -8.964
Base-Backbone interact. energy: -0.000
local terms energy: -16.744272
where:
bonds (distance) C4'-P energy: -2.113
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.758
flat angles P-C4'-P energy: -3.212
tors. eta vs tors. theta energy: -2.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -23.970628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.970628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.970628 (E_RNA)
where:
Base-Base interactions energy: -12.836
where: short stacking energy: -12.836
Base-Backbone interact. energy: -0.000
local terms energy: -11.134273
where:
bonds (distance) C4'-P energy: -1.066
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -3.726
flat angles P-C4'-P energy: -0.376
tors. eta vs tors. theta energy: -1.768
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: 5
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -32.645134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.645134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.645134 (E_RNA)
where:
Base-Base interactions energy: -14.899
where: short stacking energy: -14.899
Base-Backbone interact. energy: -0.000
local terms energy: -17.746239
where:
bonds (distance) C4'-P energy: -3.194
bonds (distance) P-C4' energy: -3.885
flat angles C4'-P-C4' energy: -4.888
flat angles P-C4'-P energy: -0.426
tors. eta vs tors. theta energy: -5.354
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: 3
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -36.201383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.201383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.201383 (E_RNA)
where:
Base-Base interactions energy: -19.358
where: short stacking energy: -9.285
Base-Backbone interact. energy: -0.001
local terms energy: -16.842392
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.674
flat angles C4'-P-C4' energy: -3.651
flat angles P-C4'-P energy: -3.624
tors. eta vs tors. theta energy: -0.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -37.098150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.098150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.098150 (E_RNA)
where:
Base-Base interactions energy: -16.908
where: short stacking energy: -16.908
Base-Backbone interact. energy: -0.000
local terms energy: -20.189732
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.578
flat angles P-C4'-P energy: -3.701
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: 3, replica: 10
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -33.229612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.229612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.229612 (E_RNA)
where:
Base-Base interactions energy: -12.528
where: short stacking energy: -12.528
Base-Backbone interact. energy: -0.030
local terms energy: -20.671186
where:
bonds (distance) C4'-P energy: -4.270
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.712
flat angles P-C4'-P energy: -3.430
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: 4, replica: 1
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -27.496413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.496413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.496413 (E_RNA)
where:
Base-Base interactions energy: -13.811
where: short stacking energy: -8.886
Base-Backbone interact. energy: -0.025
local terms energy: -13.661113
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -0.686
flat angles P-C4'-P energy: -2.446
tors. eta vs tors. theta energy: -1.017
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: 4
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -27.269023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.269023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.269023 (E_RNA)
where:
Base-Base interactions energy: -10.681
where: short stacking energy: -10.681
Base-Backbone interact. energy: -0.000
local terms energy: -16.588395
where:
bonds (distance) C4'-P energy: -3.699
bonds (distance) P-C4' energy: -4.051
flat angles C4'-P-C4' energy: -2.410
flat angles P-C4'-P energy: -3.016
tors. eta vs tors. theta energy: -3.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -29.832865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.832865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.832865 (E_RNA)
where:
Base-Base interactions energy: -11.509
where: short stacking energy: -11.509
Base-Backbone interact. energy: -0.003
local terms energy: -18.320428
where:
bonds (distance) C4'-P energy: -3.708
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.172
flat angles P-C4'-P energy: -1.836
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: 6
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -28.973236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.973236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.973236 (E_RNA)
where:
Base-Base interactions energy: -13.815
where: short stacking energy: -13.815
Base-Backbone interact. energy: -0.000
local terms energy: -15.157963
where:
bonds (distance) C4'-P energy: -1.057
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -1.164
flat angles P-C4'-P energy: -3.522
tors. eta vs tors. theta energy: -4.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -26.811309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.811309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.811309 (E_RNA)
where:
Base-Base interactions energy: -8.883
where: short stacking energy: -8.883
Base-Backbone interact. energy: -0.000
local terms energy: -17.928214
where:
bonds (distance) C4'-P energy: -4.270
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -3.661
flat angles P-C4'-P energy: -2.593
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: 9, replica: 7
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -24.112140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.112140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.112140 (E_RNA)
where:
Base-Base interactions energy: -11.359
where: short stacking energy: -11.359
Base-Backbone interact. energy: -0.003
local terms energy: -12.750824
where:
bonds (distance) C4'-P energy: -2.598
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -3.005
flat angles P-C4'-P energy: -1.902
tors. eta vs tors. theta energy: 0.112
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: 198
Temperature: 1.350000
Total energy: -25.126860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.126860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.126860 (E_RNA)
where:
Base-Base interactions energy: -9.301
where: short stacking energy: -9.301
Base-Backbone interact. energy: -0.000
local terms energy: -15.825515
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -3.916
flat angles C4'-P-C4' energy: -3.066
flat angles P-C4'-P energy: -2.006
tors. eta vs tors. theta energy: -2.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -34.447395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.447395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.447395 (E_RNA)
where:
Base-Base interactions energy: -12.528
where: short stacking energy: -12.528
Base-Backbone interact. energy: -0.000
local terms energy: -21.919222
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.134
flat angles P-C4'-P energy: -3.626
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: 2, replica: 10
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -34.445540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.445540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.445540 (E_RNA)
where:
Base-Base interactions energy: -13.809
where: short stacking energy: -13.809
Base-Backbone interact. energy: -0.000
local terms energy: -20.636066
where:
bonds (distance) C4'-P energy: -3.699
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.580
flat angles P-C4'-P energy: -2.808
tors. eta vs tors. theta energy: -4.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -30.981852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.981852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.981852 (E_RNA)
where:
Base-Base interactions energy: -12.472
where: short stacking energy: -12.472
Base-Backbone interact. energy: -0.000
local terms energy: -18.509777
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.905
flat angles P-C4'-P energy: -1.927
tors. eta vs tors. theta energy: -3.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -32.211249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.211249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.211249 (E_RNA)
where:
Base-Base interactions energy: -12.036
where: short stacking energy: -12.036
Base-Backbone interact. energy: -0.000
local terms energy: -20.175401
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -4.221
flat angles P-C4'-P energy: -3.357
tors. eta vs tors. theta energy: -3.784
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: 1
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -29.477665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.477665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.477665 (E_RNA)
where:
Base-Base interactions energy: -12.104
where: short stacking energy: -12.104
Base-Backbone interact. energy: -0.000
local terms energy: -17.373607
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.849
flat angles P-C4'-P energy: -3.036
tors. eta vs tors. theta energy: -1.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -32.578810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.578810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.578810 (E_RNA)
where:
Base-Base interactions energy: -14.309
where: short stacking energy: -14.309
Base-Backbone interact. energy: -0.000
local terms energy: -18.270024
where:
bonds (distance) C4'-P energy: -3.247
bonds (distance) P-C4' energy: -4.575
flat angles C4'-P-C4' energy: -2.631
flat angles P-C4'-P energy: -2.585
tors. eta vs tors. theta energy: -5.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -29.400965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.400965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.400965 (E_RNA)
where:
Base-Base interactions energy: -12.414
where: short stacking energy: -12.414
Base-Backbone interact. energy: -0.000
local terms energy: -16.986619
where:
bonds (distance) C4'-P energy: -1.819
bonds (distance) P-C4' energy: -3.790
flat angles C4'-P-C4' energy: -4.471
flat angles P-C4'-P energy: -2.469
tors. eta vs tors. theta energy: -4.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -25.779578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.779578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.779578 (E_RNA)
where:
Base-Base interactions energy: -8.061
where: short stacking energy: -8.061
Base-Backbone interact. energy: -0.019
local terms energy: -17.699159
where:
bonds (distance) C4'-P energy: -3.745
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.871
flat angles P-C4'-P energy: -3.005
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: 9
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -22.882766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.882766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.882766 (E_RNA)
where:
Base-Base interactions energy: -10.438
where: short stacking energy: -4.098
Base-Backbone interact. energy: -0.067
local terms energy: -12.377676
where:
bonds (distance) C4'-P energy: -3.053
bonds (distance) P-C4' energy: -3.748
flat angles C4'-P-C4' energy: -3.146
flat angles P-C4'-P energy: -2.808
tors. eta vs tors. theta energy: 0.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -24.405383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.405383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.405383 (E_RNA)
where:
Base-Base interactions energy: -8.251
where: short stacking energy: -4.262
Base-Backbone interact. energy: -0.008
local terms energy: -16.146590
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -3.747
flat angles P-C4'-P energy: -3.059
tors. eta vs tors. theta energy: -0.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -33.080149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.080149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.080149 (E_RNA)
where:
Base-Base interactions energy: -12.745
where: short stacking energy: -12.745
Base-Backbone interact. energy: -0.000
local terms energy: -20.335494
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -3.217
flat angles P-C4'-P energy: -2.905
tors. eta vs tors. theta energy: -5.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -35.397163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.397163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.397163 (E_RNA)
where:
Base-Base interactions energy: -15.861
where: short stacking energy: -15.861
Base-Backbone interact. energy: -0.000
local terms energy: -19.536318
where:
bonds (distance) C4'-P energy: -3.363
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.926
flat angles P-C4'-P energy: -3.007
tors. eta vs tors. theta energy: -3.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -30.926365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.926365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.926365 (E_RNA)
where:
Base-Base interactions energy: -12.032
where: short stacking energy: -12.032
Base-Backbone interact. energy: -0.000
local terms energy: -18.894297
where:
bonds (distance) C4'-P energy: -2.928
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -4.625
flat angles P-C4'-P energy: -3.786
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: 4, replica: 2
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -31.759462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.759462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.759462 (E_RNA)
where:
Base-Base interactions energy: -12.988
where: short stacking energy: -12.988
Base-Backbone interact. energy: -0.000
local terms energy: -18.771268
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -2.921
flat angles P-C4'-P energy: -3.428
tors. eta vs tors. theta energy: -2.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -29.810081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.810081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.810081 (E_RNA)
where:
Base-Base interactions energy: -12.069
where: short stacking energy: -12.069
Base-Backbone interact. energy: -0.000
local terms energy: -17.740581
where:
bonds (distance) C4'-P energy: -4.154
bonds (distance) P-C4' energy: -4.311
flat angles C4'-P-C4' energy: -2.358
flat angles P-C4'-P energy: -2.001
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: 6, replica: 1
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -28.989323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.989323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.989323 (E_RNA)
where:
Base-Base interactions energy: -13.070
where: short stacking energy: -13.070
Base-Backbone interact. energy: -0.000
local terms energy: -15.919720
where:
bonds (distance) C4'-P energy: -3.363
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -1.966
flat angles P-C4'-P energy: -2.308
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: 7, replica: 7
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -28.300969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.300969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.300969 (E_RNA)
where:
Base-Base interactions energy: -11.538
where: short stacking energy: -11.538
Base-Backbone interact. energy: -0.000
local terms energy: -16.762824
where:
bonds (distance) C4'-P energy: -3.745
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -3.368
flat angles P-C4'-P energy: -2.482
tors. eta vs tors. theta energy: -2.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -26.895171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.895171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.895171 (E_RNA)
where:
Base-Base interactions energy: -11.124
where: short stacking energy: -11.124
Base-Backbone interact. energy: -0.006
local terms energy: -15.764896
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -2.355
flat angles P-C4'-P energy: -1.376
tors. eta vs tors. theta energy: -2.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -22.256085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.256085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.256085 (E_RNA)
where:
Base-Base interactions energy: -7.466
where: short stacking energy: -7.466
Base-Backbone interact. energy: -0.005
local terms energy: -14.785123
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -3.790
flat angles C4'-P-C4' energy: -1.003
flat angles P-C4'-P energy: -2.672
tors. eta vs tors. theta energy: -2.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -21.988209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.988209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.988209 (E_RNA)
where:
Base-Base interactions energy: -6.934
where: short stacking energy: -6.934
Base-Backbone interact. energy: -0.004
local terms energy: -15.049854
where:
bonds (distance) C4'-P energy: -3.745
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -3.067
flat angles P-C4'-P energy: -2.674
tors. eta vs tors. theta energy: -0.217
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: 10
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -38.094229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.094229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.094229 (E_RNA)
where:
Base-Base interactions energy: -18.080
where: short stacking energy: -18.080
Base-Backbone interact. energy: -0.000
local terms energy: -20.014157
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.837
flat angles P-C4'-P energy: -3.202
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: 2, replica: 4
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -31.154214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.154214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.154214 (E_RNA)
where:
Base-Base interactions energy: -12.598
where: short stacking energy: -12.598
Base-Backbone interact. energy: -0.000
local terms energy: -18.556425
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -2.475
flat angles P-C4'-P energy: -3.903
tors. eta vs tors. theta energy: -3.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -32.969206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.969206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.969206 (E_RNA)
where:
Base-Base interactions energy: -14.145
where: short stacking energy: -14.145
Base-Backbone interact. energy: -0.000
local terms energy: -18.823940
where:
bonds (distance) C4'-P energy: -3.264
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -4.357
flat angles P-C4'-P energy: -2.618
tors. eta vs tors. theta energy: -3.461
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: 6
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -34.441569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.441569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.441569 (E_RNA)
where:
Base-Base interactions energy: -15.971
where: short stacking energy: -15.971
Base-Backbone interact. energy: -0.000
local terms energy: -18.470298
where:
bonds (distance) C4'-P energy: -4.038
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.939
flat angles P-C4'-P energy: -0.275
tors. eta vs tors. theta energy: -5.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -26.770874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.770874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.770874 (E_RNA)
where:
Base-Base interactions energy: -12.233
where: short stacking energy: -7.770
Base-Backbone interact. energy: -0.139
local terms energy: -14.398932
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -3.582
flat angles C4'-P-C4' energy: -4.341
flat angles P-C4'-P energy: -2.369
tors. eta vs tors. theta energy: 0.180
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: 6, replica: 7
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -31.869977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.869977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.869977 (E_RNA)
where:
Base-Base interactions energy: -13.210
where: short stacking energy: -13.210
Base-Backbone interact. energy: -0.000
local terms energy: -18.660292
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -3.987
flat angles C4'-P-C4' energy: -4.349
flat angles P-C4'-P energy: -2.902
tors. eta vs tors. theta energy: -3.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -28.152249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.152249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.152249 (E_RNA)
where:
Base-Base interactions energy: -7.582
where: short stacking energy: -7.582
Base-Backbone interact. energy: -0.000
local terms energy: -20.570085
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -4.871
flat angles P-C4'-P energy: -3.797
tors. eta vs tors. theta energy: -3.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -25.018055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.018055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.018055 (E_RNA)
where:
Base-Base interactions energy: -7.402
where: short stacking energy: -7.402
Base-Backbone interact. energy: -0.000
local terms energy: -17.616352
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -2.733
flat angles P-C4'-P energy: -2.764
tors. eta vs tors. theta energy: -3.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -31.036152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.036152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.036152 (E_RNA)
where:
Base-Base interactions energy: -12.867
where: short stacking energy: -12.867
Base-Backbone interact. energy: 0.167
local terms energy: -18.336690
where:
bonds (distance) C4'-P energy: -3.637
bonds (distance) P-C4' energy: -3.981
flat angles C4'-P-C4' energy: -3.514
flat angles P-C4'-P energy: -2.037
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: 10, replica: 9
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -25.964986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.964986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.964986 (E_RNA)
where:
Base-Base interactions energy: -7.705
where: short stacking energy: -7.705
Base-Backbone interact. energy: -0.000
local terms energy: -18.260225
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -3.762
flat angles P-C4'-P energy: -3.228
tors. eta vs tors. theta energy: -2.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -36.318919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.318919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.318919 (E_RNA)
where:
Base-Base interactions energy: -17.156
where: short stacking energy: -17.156
Base-Backbone interact. energy: -0.000
local terms energy: -19.162910
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.815
flat angles P-C4'-P energy: -2.049
tors. eta vs tors. theta energy: -4.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -32.019571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.019571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.019571 (E_RNA)
where:
Base-Base interactions energy: -13.293
where: short stacking energy: -13.293
Base-Backbone interact. energy: -0.000
local terms energy: -18.726129
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.465
flat angles P-C4'-P energy: -3.591
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: 3, replica: 6
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -31.719246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.719246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.719246 (E_RNA)
where:
Base-Base interactions energy: -13.284
where: short stacking energy: -13.284
Base-Backbone interact. energy: -0.000
local terms energy: -18.435470
where:
bonds (distance) C4'-P energy: -2.681
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -4.358
flat angles P-C4'-P energy: -2.922
tors. eta vs tors. theta energy: -3.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -31.319224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.319224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.319224 (E_RNA)
where:
Base-Base interactions energy: -13.031
where: short stacking energy: -13.031
Base-Backbone interact. energy: -0.000
local terms energy: -18.288573
where:
bonds (distance) C4'-P energy: -3.185
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.572
flat angles P-C4'-P energy: -3.051
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: 5, replica: 7
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -31.181740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.181740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.181740 (E_RNA)
where:
Base-Base interactions energy: -13.353
where: short stacking energy: -13.353
Base-Backbone interact. energy: -0.000
local terms energy: -17.828441
where:
bonds (distance) C4'-P energy: -3.629
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -2.595
flat angles P-C4'-P energy: -3.140
tors. eta vs tors. theta energy: -3.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -28.847289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.847289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.847289 (E_RNA)
where:
Base-Base interactions energy: -9.274
where: short stacking energy: -9.274
Base-Backbone interact. energy: -0.000
local terms energy: -19.572937
where:
bonds (distance) C4'-P energy: -3.781
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.595
flat angles P-C4'-P energy: -2.172
tors. eta vs tors. theta energy: -3.674
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: 202
Temperature: 1.200000
Total energy: -29.202723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.202723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.202723 (E_RNA)
where:
Base-Base interactions energy: -10.943
where: short stacking energy: -10.943
Base-Backbone interact. energy: -0.000
local terms energy: -18.259635
where:
bonds (distance) C4'-P energy: -3.363
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -3.989
flat angles P-C4'-P energy: -2.685
tors. eta vs tors. theta energy: -3.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -26.109467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.109467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.109467 (E_RNA)
where:
Base-Base interactions energy: -8.937
where: short stacking energy: -8.937
Base-Backbone interact. energy: -0.000
local terms energy: -17.172328
where:
bonds (distance) C4'-P energy: -2.804
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.013
flat angles P-C4'-P energy: -3.251
tors. eta vs tors. theta energy: -1.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -28.557199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.557199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.557199 (E_RNA)
where:
Base-Base interactions energy: -12.180
where: short stacking energy: -12.180
Base-Backbone interact. energy: -0.000
local terms energy: -16.377559
where:
bonds (distance) C4'-P energy: -2.975
bonds (distance) P-C4' energy: -4.318
flat angles C4'-P-C4' energy: -4.436
flat angles P-C4'-P energy: -1.361
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: 10, replica: 8
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -29.907218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.907218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.907218 (E_RNA)
where:
Base-Base interactions energy: -11.131
where: short stacking energy: -11.131
Base-Backbone interact. energy: -0.000
local terms energy: -18.776564
where:
bonds (distance) C4'-P energy: -3.699
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.481
flat angles P-C4'-P energy: -2.172
tors. eta vs tors. theta energy: -3.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -34.842819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.842819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.842819 (E_RNA)
where:
Base-Base interactions energy: -14.747
where: short stacking energy: -14.747
Base-Backbone interact. energy: -0.000
local terms energy: -20.095719
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -4.254
flat angles P-C4'-P energy: -3.291
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: 2, replica: 6
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -35.685510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.685510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.685510 (E_RNA)
where:
Base-Base interactions energy: -17.033
where: short stacking energy: -17.033
Base-Backbone interact. energy: -0.000
local terms energy: -18.652296
where:
bonds (distance) C4'-P energy: -3.314
bonds (distance) P-C4' energy: -3.944
flat angles C4'-P-C4' energy: -3.546
flat angles P-C4'-P energy: -2.728
tors. eta vs tors. theta energy: -5.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -35.501796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.501796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.501796 (E_RNA)
where:
Base-Base interactions energy: -16.567
where: short stacking energy: -16.567
Base-Backbone interact. energy: -0.000
local terms energy: -18.935000
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.406
flat angles C4'-P-C4' energy: -3.465
flat angles P-C4'-P energy: -2.044
tors. eta vs tors. theta energy: -4.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -28.323351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.323351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.323351 (E_RNA)
where:
Base-Base interactions energy: -12.711
where: short stacking energy: -12.711
Base-Backbone interact. energy: -0.000
local terms energy: -15.612412
where:
bonds (distance) C4'-P energy: -2.387
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -2.801
flat angles P-C4'-P energy: -3.417
tors. eta vs tors. theta energy: -1.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -29.378140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.378140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.378140 (E_RNA)
where:
Base-Base interactions energy: -13.657
where: short stacking energy: -13.657
Base-Backbone interact. energy: -0.000
local terms energy: -15.720642
where:
bonds (distance) C4'-P energy: -3.322
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -3.688
flat angles P-C4'-P energy: -2.838
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: 6, replica: 5
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -28.255295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.255295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.255295 (E_RNA)
where:
Base-Base interactions energy: -10.402
where: short stacking energy: -10.402
Base-Backbone interact. energy: -0.000
local terms energy: -17.853315
where:
bonds (distance) C4'-P energy: -3.301
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -3.345
flat angles P-C4'-P energy: -2.615
tors. eta vs tors. theta energy: -3.495
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: 2
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -29.309156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.309156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.309156 (E_RNA)
where:
Base-Base interactions energy: -10.743
where: short stacking energy: -10.743
Base-Backbone interact. energy: -0.001
local terms energy: -18.565526
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -4.653
flat angles C4'-P-C4' energy: -4.172
flat angles P-C4'-P energy: -3.732
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: 8, replica: 9
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -25.258488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.258488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.258488 (E_RNA)
where:
Base-Base interactions energy: -9.241
where: short stacking energy: -9.241
Base-Backbone interact. energy: -0.020
local terms energy: -15.997497
where:
bonds (distance) C4'-P energy: -4.154
bonds (distance) P-C4' energy: -4.202
flat angles C4'-P-C4' energy: -2.117
flat angles P-C4'-P energy: -3.814
tors. eta vs tors. theta energy: -1.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -22.535863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.535863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.535863 (E_RNA)
where:
Base-Base interactions energy: -7.428
where: short stacking energy: -7.428
Base-Backbone interact. energy: -0.001
local terms energy: -15.106951
where:
bonds (distance) C4'-P energy: -4.303
bonds (distance) P-C4' energy: -3.984
flat angles C4'-P-C4' energy: -2.881
flat angles P-C4'-P energy: -3.209
tors. eta vs tors. theta energy: -0.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -24.947289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.947289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.947289 (E_RNA)
where:
Base-Base interactions energy: -10.032
where: short stacking energy: -10.032
Base-Backbone interact. energy: -0.000
local terms energy: -14.915252
where:
bonds (distance) C4'-P energy: -2.797
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.767
flat angles P-C4'-P energy: -1.224
tors. eta vs tors. theta energy: -2.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -37.527544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.527544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.527544 (E_RNA)
where:
Base-Base interactions energy: -15.815
where: short stacking energy: -15.815
Base-Backbone interact. energy: -0.000
local terms energy: -21.712952
where:
bonds (distance) C4'-P energy: -3.036
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -4.555
flat angles P-C4'-P energy: -3.729
tors. eta vs tors. theta energy: -5.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -26.973553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.973553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.973553 (E_RNA)
where:
Base-Base interactions energy: -9.329
where: short stacking energy: -9.329
Base-Backbone interact. energy: -0.000
local terms energy: -17.644793
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -3.299
flat angles C4'-P-C4' energy: -4.118
flat angles P-C4'-P energy: -3.594
tors. eta vs tors. theta energy: -2.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -31.648310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.648310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.648310 (E_RNA)
where:
Base-Base interactions energy: -12.829
where: short stacking energy: -12.829
Base-Backbone interact. energy: -0.000
local terms energy: -18.819426
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.156
flat angles C4'-P-C4' energy: -4.379
flat angles P-C4'-P energy: -2.400
tors. eta vs tors. theta energy: -3.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -36.208602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.208602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.208602 (E_RNA)
where:
Base-Base interactions energy: -16.285
where: short stacking energy: -16.285
Base-Backbone interact. energy: -0.000
local terms energy: -19.923897
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -3.989
flat angles P-C4'-P energy: -3.139
tors. eta vs tors. theta energy: -3.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -32.561314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.561314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.561314 (E_RNA)
where:
Base-Base interactions energy: -14.815
where: short stacking energy: -14.815
Base-Backbone interact. energy: -0.000
local terms energy: -17.745894
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -4.832
flat angles C4'-P-C4' energy: -2.904
flat angles P-C4'-P energy: -2.147
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: 6, replica: 3
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -26.929269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.929269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.929269 (E_RNA)
where:
Base-Base interactions energy: -9.113
where: short stacking energy: -9.113
Base-Backbone interact. energy: -0.000
local terms energy: -17.816232
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -4.078
flat angles P-C4'-P energy: -1.118
tors. eta vs tors. theta energy: -3.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -25.332352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.332352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.332352 (E_RNA)
where:
Base-Base interactions energy: -7.821
where: short stacking energy: -4.121
Base-Backbone interact. energy: -0.081
local terms energy: -17.430747
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.640
flat angles P-C4'-P energy: -1.891
tors. eta vs tors. theta energy: -2.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -26.649005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.649005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.649005 (E_RNA)
where:
Base-Base interactions energy: -15.177
where: short stacking energy: -5.483
Base-Backbone interact. energy: -0.009
local terms energy: -11.463163
where:
bonds (distance) C4'-P energy: -1.008
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -3.031
flat angles P-C4'-P energy: -1.090
tors. eta vs tors. theta energy: -1.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -26.679952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.679952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.679952 (E_RNA)
where:
Base-Base interactions energy: -9.986
where: short stacking energy: -9.986
Base-Backbone interact. energy: -0.000
local terms energy: -16.693911
where:
bonds (distance) C4'-P energy: -3.637
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -3.684
flat angles P-C4'-P energy: -3.022
tors. eta vs tors. theta energy: -1.251
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: 1
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -27.136909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.136909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.136909 (E_RNA)
where:
Base-Base interactions energy: -12.248
where: short stacking energy: -11.841
Base-Backbone interact. energy: -0.016
local terms energy: -14.873341
where:
bonds (distance) C4'-P energy: -1.340
bonds (distance) P-C4' energy: -4.152
flat angles C4'-P-C4' energy: -4.032
flat angles P-C4'-P energy: -1.554
tors. eta vs tors. theta energy: -3.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -35.265246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.265246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.265246 (E_RNA)
where:
Base-Base interactions energy: -16.090
where: short stacking energy: -16.090
Base-Backbone interact. energy: -0.000
local terms energy: -19.175601
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -3.494
flat angles C4'-P-C4' energy: -4.206
flat angles P-C4'-P energy: -3.135
tors. eta vs tors. theta energy: -3.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -37.178576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.178576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.178576 (E_RNA)
where:
Base-Base interactions energy: -17.326
where: short stacking energy: -17.326
Base-Backbone interact. energy: -0.000
local terms energy: -19.852360
where:
bonds (distance) C4'-P energy: -1.861
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.210
flat angles P-C4'-P energy: -3.281
tors. eta vs tors. theta energy: -5.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -32.913297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.913297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.913297 (E_RNA)
where:
Base-Base interactions energy: -17.088
where: short stacking energy: -17.088
Base-Backbone interact. energy: -0.000
local terms energy: -15.825345
where:
bonds (distance) C4'-P energy: -3.194
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -3.583
flat angles P-C4'-P energy: -0.799
tors. eta vs tors. theta energy: -2.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -29.349135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.349135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.349135 (E_RNA)
where:
Base-Base interactions energy: -11.933
where: short stacking energy: -7.470
Base-Backbone interact. energy: -0.011
local terms energy: -17.404727
where:
bonds (distance) C4'-P energy: -2.681
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.786
flat angles P-C4'-P energy: -3.486
tors. eta vs tors. theta energy: -2.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -29.923258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.923258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.923258 (E_RNA)
where:
Base-Base interactions energy: -10.754
where: short stacking energy: -10.754
Base-Backbone interact. energy: -0.000
local terms energy: -19.169003
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -4.666
flat angles P-C4'-P energy: -3.098
tors. eta vs tors. theta energy: -1.905
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: 205
Temperature: 1.150000
Total energy: -30.930371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.930371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.930371 (E_RNA)
where:
Base-Base interactions energy: -13.646
where: short stacking energy: -13.646
Base-Backbone interact. energy: -0.000
local terms energy: -17.284490
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.839
flat angles C4'-P-C4' energy: -3.273
flat angles P-C4'-P energy: -2.618
tors. eta vs tors. theta energy: -2.152
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: 205
Temperature: 1.200000
Total energy: -31.704218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.704218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.704218 (E_RNA)
where:
Base-Base interactions energy: -15.042
where: short stacking energy: -15.042
Base-Backbone interact. energy: -0.000
local terms energy: -16.662453
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -2.186
flat angles C4'-P-C4' energy: -2.891
flat angles P-C4'-P energy: -2.646
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: 8
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -28.957311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.957311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.957311 (E_RNA)
where:
Base-Base interactions energy: -10.650
where: short stacking energy: -10.650
Base-Backbone interact. energy: -0.000
local terms energy: -18.307699
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.051
flat angles C4'-P-C4' energy: -3.036
flat angles P-C4'-P energy: -3.939
tors. eta vs tors. theta energy: -2.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -26.750614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.750614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.750614 (E_RNA)
where:
Base-Base interactions energy: -9.735
where: short stacking energy: -9.735
Base-Backbone interact. energy: -0.000
local terms energy: -17.015404
where:
bonds (distance) C4'-P energy: -4.634
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -2.294
flat angles P-C4'-P energy: -2.605
tors. eta vs tors. theta energy: -3.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -24.954562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.954562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.954562 (E_RNA)
where:
Base-Base interactions energy: -10.439
where: short stacking energy: -10.439
Base-Backbone interact. energy: -0.000
local terms energy: -14.515351
where:
bonds (distance) C4'-P energy: -1.819
bonds (distance) P-C4' energy: -4.656
flat angles C4'-P-C4' energy: -4.360
flat angles P-C4'-P energy: 0.438
tors. eta vs tors. theta energy: -4.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -35.776470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.776470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.776470 (E_RNA)
where:
Base-Base interactions energy: -16.560
where: short stacking energy: -16.560
Base-Backbone interact. energy: -0.000
local terms energy: -19.216750
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.624
flat angles C4'-P-C4' energy: -3.890
flat angles P-C4'-P energy: -2.837
tors. eta vs tors. theta energy: -3.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -32.066606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.066606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.066606 (E_RNA)
where:
Base-Base interactions energy: -15.128
where: short stacking energy: -15.128
Base-Backbone interact. energy: -0.000
local terms energy: -16.938358
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -4.600
flat angles C4'-P-C4' energy: -4.510
flat angles P-C4'-P energy: 0.092
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: 3, replica: 5
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -34.327570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.327570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.327570 (E_RNA)
where:
Base-Base interactions energy: -17.592
where: short stacking energy: -8.963
Base-Backbone interact. energy: -0.008
local terms energy: -16.728435
where:
bonds (distance) C4'-P energy: -3.823
bonds (distance) P-C4' energy: -4.628
flat angles C4'-P-C4' energy: -4.088
flat angles P-C4'-P energy: -2.481
tors. eta vs tors. theta energy: -1.709
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: 10
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -31.994817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.994817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.994817 (E_RNA)
where:
Base-Base interactions energy: -13.487
where: short stacking energy: -13.487
Base-Backbone interact. energy: -0.000
local terms energy: -18.507955
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -4.731
flat angles P-C4'-P energy: -3.070
tors. eta vs tors. theta energy: -1.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -38.689422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.689422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.689422 (E_RNA)
where:
Base-Base interactions energy: -17.591
where: short stacking energy: -17.591
Base-Backbone interact. energy: -0.000
local terms energy: -21.098849
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -4.295
flat angles P-C4'-P energy: -2.702
tors. eta vs tors. theta energy: -5.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -33.845926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.845926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.845926 (E_RNA)
where:
Base-Base interactions energy: -16.602
where: short stacking energy: -16.602
Base-Backbone interact. energy: -0.000
local terms energy: -17.243988
where:
bonds (distance) C4'-P energy: -1.960
bonds (distance) P-C4' energy: -4.575
flat angles C4'-P-C4' energy: -2.633
flat angles P-C4'-P energy: -2.958
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: 7, replica: 8
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -28.910967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.910967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.910967 (E_RNA)
where:
Base-Base interactions energy: -12.617
where: short stacking energy: -12.617
Base-Backbone interact. energy: -0.000
local terms energy: -16.294116
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.988
flat angles P-C4'-P energy: -2.464
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: 3
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -27.432236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.432236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.432236 (E_RNA)
where:
Base-Base interactions energy: -11.767
where: short stacking energy: -11.767
Base-Backbone interact. energy: -0.000
local terms energy: -15.664788
where:
bonds (distance) C4'-P energy: -3.558
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -2.116
flat angles P-C4'-P energy: -1.774
tors. eta vs tors. theta energy: -3.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -23.281231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.281231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.281231 (E_RNA)
where:
Base-Base interactions energy: -9.110
where: short stacking energy: -9.110
Base-Backbone interact. energy: -0.000
local terms energy: -14.170699
where:
bonds (distance) C4'-P energy: -3.673
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -4.026
flat angles P-C4'-P energy: -0.637
tors. eta vs tors. theta energy: -1.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -24.543306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.543306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.543306 (E_RNA)
where:
Base-Base interactions energy: -5.616
where: short stacking energy: -5.616
Base-Backbone interact. energy: -0.000
local terms energy: -18.927548
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.493
flat angles P-C4'-P energy: -3.881
tors. eta vs tors. theta energy: -2.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -30.048579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.048579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.048579 (E_RNA)
where:
Base-Base interactions energy: -12.157
where: short stacking energy: -12.157
Base-Backbone interact. energy: -0.000
local terms energy: -17.891279
where:
bonds (distance) C4'-P energy: -3.691
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -4.043
flat angles P-C4'-P energy: -3.569
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: 2, replica: 5
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -32.556242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.556242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.556242 (E_RNA)
where:
Base-Base interactions energy: -12.632
where: short stacking energy: -12.632
Base-Backbone interact. energy: -0.000
local terms energy: -19.923713
where:
bonds (distance) C4'-P energy: -3.036
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.384
flat angles P-C4'-P energy: -3.635
tors. eta vs tors. theta energy: -3.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -33.281856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.281856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.281856 (E_RNA)
where:
Base-Base interactions energy: -16.009
where: short stacking energy: -16.009
Base-Backbone interact. energy: -0.000
local terms energy: -17.273194
where:
bonds (distance) C4'-P energy: -3.567
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -2.877
flat angles P-C4'-P energy: -2.391
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: 4, replica: 7
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -26.873411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.873411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.873411 (E_RNA)
where:
Base-Base interactions energy: -8.912
where: short stacking energy: -8.912
Base-Backbone interact. energy: -0.006
local terms energy: -17.956177
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.628
flat angles C4'-P-C4' energy: -3.619
flat angles P-C4'-P energy: -3.241
tors. eta vs tors. theta energy: -2.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -27.337191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.337191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.337191 (E_RNA)
where:
Base-Base interactions energy: -8.101
where: short stacking energy: -8.101
Base-Backbone interact. energy: -0.000
local terms energy: -19.236023
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -4.294
flat angles P-C4'-P energy: -2.832
tors. eta vs tors. theta energy: -2.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -30.812889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.812889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.812889 (E_RNA)
where:
Base-Base interactions energy: -11.490
where: short stacking energy: -11.490
Base-Backbone interact. energy: -0.000
local terms energy: -19.322513
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -3.259
flat angles P-C4'-P energy: -2.039
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: 7, replica: 9
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -26.735129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.735129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.735129 (E_RNA)
where:
Base-Base interactions energy: -11.546
where: short stacking energy: -11.546
Base-Backbone interact. energy: 1.018
local terms energy: -16.207530
where:
bonds (distance) C4'-P energy: -3.645
bonds (distance) P-C4' energy: -4.575
flat angles C4'-P-C4' energy: -2.567
flat angles P-C4'-P energy: -2.739
tors. eta vs tors. theta energy: -2.681
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: 8, replica: 1
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -25.026397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.026397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.026397 (E_RNA)
where:
Base-Base interactions energy: -7.563
where: short stacking energy: -7.563
Base-Backbone interact. energy: -0.000
local terms energy: -17.463063
where:
bonds (distance) C4'-P energy: -4.634
bonds (distance) P-C4' energy: -4.867
flat angles C4'-P-C4' energy: -2.593
flat angles P-C4'-P energy: -1.819
tors. eta vs tors. theta energy: -3.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -27.923791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.923791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.923791 (E_RNA)
where:
Base-Base interactions energy: -8.956
where: short stacking energy: -8.956
Base-Backbone interact. energy: 0.771
local terms energy: -19.739380
where:
bonds (distance) C4'-P energy: -3.372
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.368
flat angles P-C4'-P energy: -2.554
tors. eta vs tors. theta energy: -4.095
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: 2
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -28.679787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.679787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.679787 (E_RNA)
where:
Base-Base interactions energy: -13.641
where: short stacking energy: -13.641
Base-Backbone interact. energy: -0.000
local terms energy: -15.038528
where:
bonds (distance) C4'-P energy: -3.318
bonds (distance) P-C4' energy: -3.187
flat angles C4'-P-C4' energy: -4.398
flat angles P-C4'-P energy: -2.387
tors. eta vs tors. theta energy: -1.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -32.801311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.801311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.801311 (E_RNA)
where:
Base-Base interactions energy: -13.092
where: short stacking energy: -13.092
Base-Backbone interact. energy: -0.000
local terms energy: -19.709382
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -4.266
flat angles P-C4'-P energy: -3.299
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: 2, replica: 6
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -31.383705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.383705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.383705 (E_RNA)
where:
Base-Base interactions energy: -12.657
where: short stacking energy: -12.657
Base-Backbone interact. energy: -0.000
local terms energy: -18.726934
where:
bonds (distance) C4'-P energy: -3.380
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.028
flat angles P-C4'-P energy: -2.221
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: 3, replica: 7
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -29.672436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.672436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.672436 (E_RNA)
where:
Base-Base interactions energy: -12.868
where: short stacking energy: -12.868
Base-Backbone interact. energy: -0.000
local terms energy: -16.804071
where:
bonds (distance) C4'-P energy: -3.815
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -3.570
flat angles P-C4'-P energy: -1.712
tors. eta vs tors. theta energy: -2.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -31.621023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.621023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.621023 (E_RNA)
where:
Base-Base interactions energy: -12.472
where: short stacking energy: -12.472
Base-Backbone interact. energy: -0.000
local terms energy: -19.148722
where:
bonds (distance) C4'-P energy: -2.511
bonds (distance) P-C4' energy: -3.916
flat angles C4'-P-C4' energy: -4.731
flat angles P-C4'-P energy: -2.875
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: 5, replica: 8
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -32.210742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.210742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.210742 (E_RNA)
where:
Base-Base interactions energy: -17.570
where: short stacking energy: -17.570
Base-Backbone interact. energy: -0.000
local terms energy: -14.640836
where:
bonds (distance) C4'-P energy: -2.573
bonds (distance) P-C4' energy: -2.063
flat angles C4'-P-C4' energy: -4.176
flat angles P-C4'-P energy: -2.284
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: 6, replica: 10
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -32.245273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.245273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.245273 (E_RNA)
where:
Base-Base interactions energy: -11.279
where: short stacking energy: -11.279
Base-Backbone interact. energy: -0.000
local terms energy: -20.966279
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.445
flat angles P-C4'-P energy: -3.191
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: 7, replica: 1
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -27.073704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.073704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.073704 (E_RNA)
where:
Base-Base interactions energy: -11.003
where: short stacking energy: -11.003
Base-Backbone interact. energy: -0.000
local terms energy: -16.070729
where:
bonds (distance) C4'-P energy: -2.316
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.046
flat angles P-C4'-P energy: -2.930
tors. eta vs tors. theta energy: -1.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -23.159567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.159567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.159567 (E_RNA)
where:
Base-Base interactions energy: -11.611
where: short stacking energy: -11.611
Base-Backbone interact. energy: -0.000
local terms energy: -11.548975
where:
bonds (distance) C4'-P energy: -1.464
bonds (distance) P-C4' energy: -3.790
flat angles C4'-P-C4' energy: -2.798
flat angles P-C4'-P energy: -2.503
tors. eta vs tors. theta energy: -0.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -24.628428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.628428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.628428 (E_RNA)
where:
Base-Base interactions energy: -7.848
where: short stacking energy: -6.650
Base-Backbone interact. energy: -0.100
local terms energy: -16.680360
where:
bonds (distance) C4'-P energy: -3.699
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.779
flat angles P-C4'-P energy: -2.223
tors. eta vs tors. theta energy: -1.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -19.676683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.676683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.676683 (E_RNA)
where:
Base-Base interactions energy: -7.710
where: short stacking energy: -7.710
Base-Backbone interact. energy: -0.000
local terms energy: -11.966279
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -3.578
flat angles C4'-P-C4' energy: -1.809
flat angles P-C4'-P energy: -1.722
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: 1, replica: 5
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -31.423676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.423676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.423676 (E_RNA)
where:
Base-Base interactions energy: -13.780
where: short stacking energy: -13.780
Base-Backbone interact. energy: -0.002
local terms energy: -17.641696
where:
bonds (distance) C4'-P energy: -4.270
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.407
flat angles P-C4'-P energy: -2.934
tors. eta vs tors. theta energy: -1.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -31.727223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.727223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.727223 (E_RNA)
where:
Base-Base interactions energy: -13.767
where: short stacking energy: -13.767
Base-Backbone interact. energy: -0.000
local terms energy: -17.960358
where:
bonds (distance) C4'-P energy: -2.262
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.534
flat angles P-C4'-P energy: -3.899
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: 3, replica: 6
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -28.742814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.742814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.742814 (E_RNA)
where:
Base-Base interactions energy: -10.178
where: short stacking energy: -10.178
Base-Backbone interact. energy: -0.002
local terms energy: -18.562644
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -3.945
flat angles P-C4'-P energy: -3.787
tors. eta vs tors. theta energy: -1.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -37.044846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.044846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.044846 (E_RNA)
where:
Base-Base interactions energy: -17.972
where: short stacking energy: -17.972
Base-Backbone interact. energy: -0.000
local terms energy: -19.072460
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -2.125
flat angles C4'-P-C4' energy: -3.302
flat angles P-C4'-P energy: -3.940
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: 5, replica: 4
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -28.784187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.784187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.784187 (E_RNA)
where:
Base-Base interactions energy: -10.178
where: short stacking energy: -10.178
Base-Backbone interact. energy: -0.000
local terms energy: -18.605698
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.256
flat angles P-C4'-P energy: -2.570
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: 6, replica: 1
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -30.490777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.490777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.490777 (E_RNA)
where:
Base-Base interactions energy: -13.419
where: short stacking energy: -13.419
Base-Backbone interact. energy: -0.002
local terms energy: -17.070322
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -3.656
flat angles C4'-P-C4' energy: -4.360
flat angles P-C4'-P energy: -2.729
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: 7, replica: 10
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -29.525146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.525146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.525146 (E_RNA)
where:
Base-Base interactions energy: -14.413
where: short stacking energy: -14.413
Base-Backbone interact. energy: -0.002
local terms energy: -15.110510
where:
bonds (distance) C4'-P energy: -2.975
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.656
flat angles P-C4'-P energy: -2.007
tors. eta vs tors. theta energy: -1.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -27.997942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.997942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.997942 (E_RNA)
where:
Base-Base interactions energy: -10.127
where: short stacking energy: -10.127
Base-Backbone interact. energy: -0.000
local terms energy: -17.871157
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -4.202
flat angles C4'-P-C4' energy: -3.903
flat angles P-C4'-P energy: -0.857
tors. eta vs tors. theta energy: -5.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -28.301302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.301302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.301302 (E_RNA)
where:
Base-Base interactions energy: -11.277
where: short stacking energy: -11.277
Base-Backbone interact. energy: -0.000
local terms energy: -17.023835
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -3.708
flat angles C4'-P-C4' energy: -3.550
flat angles P-C4'-P energy: -1.976
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: 10, replica: 3
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -24.126968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.126968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.126968 (E_RNA)
where:
Base-Base interactions energy: -8.588
where: short stacking energy: -4.314
Base-Backbone interact. energy: 0.600
local terms energy: -16.139542
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -4.572
flat angles C4'-P-C4' energy: -4.132
flat angles P-C4'-P energy: -2.722
tors. eta vs tors. theta energy: -0.435
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: 1, replica: 7
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -39.705570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.705570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.705570 (E_RNA)
where:
Base-Base interactions energy: -17.816
where: short stacking energy: -17.816
Base-Backbone interact. energy: -0.000
local terms energy: -21.889726
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.643
flat angles P-C4'-P energy: -3.136
tors. eta vs tors. theta energy: -5.474
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: 5
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -33.568403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.568403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.568403 (E_RNA)
where:
Base-Base interactions energy: -14.134
where: short stacking energy: -14.134
Base-Backbone interact. energy: -0.000
local terms energy: -19.434578
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.065
flat angles P-C4'-P energy: -3.976
tors. eta vs tors. theta energy: -2.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -37.334473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.334473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.334473 (E_RNA)
where:
Base-Base interactions energy: -16.409
where: short stacking energy: -16.409
Base-Backbone interact. energy: -0.000
local terms energy: -20.925305
where:
bonds (distance) C4'-P energy: -3.277
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -4.526
flat angles P-C4'-P energy: -2.753
tors. eta vs tors. theta energy: -5.505
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: 210
Temperature: 1.050000
Total energy: -28.181909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.181909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.181909 (E_RNA)
where:
Base-Base interactions energy: -12.385
where: short stacking energy: -12.385
Base-Backbone interact. energy: -0.002
local terms energy: -15.794900
where:
bonds (distance) C4'-P energy: -3.761
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -2.257
flat angles P-C4'-P energy: -2.357
tors. eta vs tors. theta energy: -2.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -32.414011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.414011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.414011 (E_RNA)
where:
Base-Base interactions energy: -13.573
where: short stacking energy: -13.573
Base-Backbone interact. energy: -0.000
local terms energy: -18.841421
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -3.941
flat angles C4'-P-C4' energy: -4.082
flat angles P-C4'-P energy: -2.923
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: 6, replica: 4
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -29.118427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.118427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.118427 (E_RNA)
where:
Base-Base interactions energy: -14.858
where: short stacking energy: -12.780
Base-Backbone interact. energy: -0.828
local terms energy: -13.432777
where:
bonds (distance) C4'-P energy: -2.084
bonds (distance) P-C4' energy: -2.895
flat angles C4'-P-C4' energy: -2.323
flat angles P-C4'-P energy: -3.363
tors. eta vs tors. theta energy: -2.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -28.055727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.055727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.055727 (E_RNA)
where:
Base-Base interactions energy: -9.523
where: short stacking energy: -9.523
Base-Backbone interact. energy: -0.000
local terms energy: -18.532725
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -4.187
flat angles P-C4'-P energy: -2.430
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: 8, replica: 10
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -25.531364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.531364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.531364 (E_RNA)
where:
Base-Base interactions energy: -8.948
where: short stacking energy: -8.948
Base-Backbone interact. energy: -0.000
local terms energy: -16.583565
where:
bonds (distance) C4'-P energy: -3.773
bonds (distance) P-C4' energy: -3.815
flat angles C4'-P-C4' energy: -3.743
flat angles P-C4'-P energy: -1.679
tors. eta vs tors. theta energy: -3.575
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: 3
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -26.449759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.449759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.449759 (E_RNA)
where:
Base-Base interactions energy: -12.000
where: short stacking energy: -12.000
Base-Backbone interact. energy: -0.004
local terms energy: -14.445900
where:
bonds (distance) C4'-P energy: -3.363
bonds (distance) P-C4' energy: -3.557
flat angles C4'-P-C4' energy: -2.213
flat angles P-C4'-P energy: -3.311
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: 10, replica: 9
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -26.458074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.458074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.458074 (E_RNA)
where:
Base-Base interactions energy: -7.953
where: short stacking energy: -7.953
Base-Backbone interact. energy: -0.007
local terms energy: -18.498016
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -4.410
flat angles C4'-P-C4' energy: -3.959
flat angles P-C4'-P energy: -2.988
tors. eta vs tors. theta energy: -3.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -31.792039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.792039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.792039 (E_RNA)
where:
Base-Base interactions energy: -13.940
where: short stacking energy: -13.940
Base-Backbone interact. energy: -0.000
local terms energy: -17.852414
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -4.402
flat angles P-C4'-P energy: -2.819
tors. eta vs tors. theta energy: -2.262
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: 8
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -36.778098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.778098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.778098 (E_RNA)
where:
Base-Base interactions energy: -17.217
where: short stacking energy: -17.217
Base-Backbone interact. energy: -0.000
local terms energy: -19.561326
where:
bonds (distance) C4'-P energy: -3.861
bonds (distance) P-C4' energy: -4.628
flat angles C4'-P-C4' energy: -3.784
flat angles P-C4'-P energy: -3.807
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: 3, replica: 5
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -32.147106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.147106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.147106 (E_RNA)
where:
Base-Base interactions energy: -12.593
where: short stacking energy: -12.593
Base-Backbone interact. energy: -0.000
local terms energy: -19.554316
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -3.751
flat angles P-C4'-P energy: -3.891
tors. eta vs tors. theta energy: -2.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -31.617592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.617592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.617592 (E_RNA)
where:
Base-Base interactions energy: -12.943
where: short stacking energy: -12.943
Base-Backbone interact. energy: -0.000
local terms energy: -18.674238
where:
bonds (distance) C4'-P energy: -3.363
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.942
flat angles P-C4'-P energy: -3.872
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: 5, replica: 6
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -29.462927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.462927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.462927 (E_RNA)
where:
Base-Base interactions energy: -12.303
where: short stacking energy: -12.303
Base-Backbone interact. energy: -0.020
local terms energy: -17.139967
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -3.128
flat angles C4'-P-C4' energy: -4.131
flat angles P-C4'-P energy: -1.938
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: 6, replica: 2
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -26.591255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.591255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.591255 (E_RNA)
where:
Base-Base interactions energy: -8.707
where: short stacking energy: -8.707
Base-Backbone interact. energy: -0.001
local terms energy: -17.883815
where:
bonds (distance) C4'-P energy: -2.912
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -4.192
flat angles P-C4'-P energy: -3.814
tors. eta vs tors. theta energy: -2.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -24.717246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.717246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.717246 (E_RNA)
where:
Base-Base interactions energy: -9.110
where: short stacking energy: -9.110
Base-Backbone interact. energy: -0.006
local terms energy: -15.601095
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.830
flat angles P-C4'-P energy: -2.937
tors. eta vs tors. theta energy: 0.554
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: 10
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -23.737835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.737835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.737835 (E_RNA)
where:
Base-Base interactions energy: -12.162
where: short stacking energy: -6.250
Base-Backbone interact. energy: -0.000
local terms energy: -11.575973
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -3.987
flat angles C4'-P-C4' energy: -2.592
flat angles P-C4'-P energy: -0.671
tors. eta vs tors. theta energy: -0.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -24.115026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.115026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.115026 (E_RNA)
where:
Base-Base interactions energy: -8.432
where: short stacking energy: -8.432
Base-Backbone interact. energy: -0.000
local terms energy: -15.682907
where:
bonds (distance) C4'-P energy: -3.008
bonds (distance) P-C4' energy: -3.786
flat angles C4'-P-C4' energy: -4.102
flat angles P-C4'-P energy: -3.644
tors. eta vs tors. theta energy: -1.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -25.913717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.913717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.913717 (E_RNA)
where:
Base-Base interactions energy: -9.346
where: short stacking energy: -9.346
Base-Backbone interact. energy: -0.000
local terms energy: -16.567713
where:
bonds (distance) C4'-P energy: -4.163
bonds (distance) P-C4' energy: -2.870
flat angles C4'-P-C4' energy: -4.555
flat angles P-C4'-P energy: -3.432
tors. eta vs tors. theta energy: -1.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -37.250767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.250767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.250767 (E_RNA)
where:
Base-Base interactions energy: -16.608
where: short stacking energy: -16.608
Base-Backbone interact. energy: -0.000
local terms energy: -20.642675
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -4.452
flat angles P-C4'-P energy: -1.700
tors. eta vs tors. theta energy: -5.464
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: 7
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -35.274856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.274856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.274856 (E_RNA)
where:
Base-Base interactions energy: -16.782
where: short stacking energy: -16.782
Base-Backbone interact. energy: -0.000
local terms energy: -18.492798
where:
bonds (distance) C4'-P energy: -3.708
bonds (distance) P-C4' energy: -4.603
flat angles C4'-P-C4' energy: -2.991
flat angles P-C4'-P energy: -3.625
tors. eta vs tors. theta energy: -3.567
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: 1
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -33.897198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.897198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.897198 (E_RNA)
where:
Base-Base interactions energy: -14.570
where: short stacking energy: -14.570
Base-Backbone interact. energy: -0.000
local terms energy: -19.327690
where:
bonds (distance) C4'-P energy: -3.947
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -4.135
flat angles P-C4'-P energy: -0.971
tors. eta vs tors. theta energy: -4.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -31.258899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.258899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.258899 (E_RNA)
where:
Base-Base interactions energy: -11.674
where: short stacking energy: -11.674
Base-Backbone interact. energy: -0.000
local terms energy: -19.585161
where:
bonds (distance) C4'-P energy: -2.316
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.506
flat angles P-C4'-P energy: -3.044
tors. eta vs tors. theta energy: -5.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -36.807763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.807763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.807763 (E_RNA)
where:
Base-Base interactions energy: -16.353
where: short stacking energy: -16.353
Base-Backbone interact. energy: -0.000
local terms energy: -20.454729
where:
bonds (distance) C4'-P energy: -3.897
bonds (distance) P-C4' energy: -4.339
flat angles C4'-P-C4' energy: -4.266
flat angles P-C4'-P energy: -2.531
tors. eta vs tors. theta energy: -5.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -30.933020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.933020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.933020 (E_RNA)
where:
Base-Base interactions energy: -10.702
where: short stacking energy: -10.702
Base-Backbone interact. energy: -0.000
local terms energy: -20.230607
where:
bonds (distance) C4'-P energy: -4.303
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.308
flat angles P-C4'-P energy: -3.452
tors. eta vs tors. theta energy: -3.307
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: 10
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -28.781429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.781429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.781429 (E_RNA)
where:
Base-Base interactions energy: -11.974
where: short stacking energy: -11.974
Base-Backbone interact. energy: -0.000
local terms energy: -16.807150
where:
bonds (distance) C4'-P energy: -3.682
bonds (distance) P-C4' energy: -4.202
flat angles C4'-P-C4' energy: -3.558
flat angles P-C4'-P energy: -1.326
tors. eta vs tors. theta energy: -4.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -24.352753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.352753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.352753 (E_RNA)
where:
Base-Base interactions energy: -7.950
where: short stacking energy: -7.950
Base-Backbone interact. energy: -0.002
local terms energy: -16.400115
where:
bonds (distance) C4'-P energy: -2.263
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.255
flat angles P-C4'-P energy: -2.493
tors. eta vs tors. theta energy: -2.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -30.993851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.993851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.993851 (E_RNA)
where:
Base-Base interactions energy: -10.771
where: short stacking energy: -10.771
Base-Backbone interact. energy: -0.000
local terms energy: -20.223200
where:
bonds (distance) C4'-P energy: -3.317
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.475
flat angles P-C4'-P energy: -3.356
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: 10, replica: 3
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -22.485803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.485803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.485803 (E_RNA)
where:
Base-Base interactions energy: -6.888
where: short stacking energy: -6.888
Base-Backbone interact. energy: -0.016
local terms energy: -15.581672
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -4.416
flat angles C4'-P-C4' energy: -3.515
flat angles P-C4'-P energy: -1.928
tors. eta vs tors. theta energy: -1.721
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: 1, replica: 8
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -33.832986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.832986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.832986 (E_RNA)
where:
Base-Base interactions energy: -17.019
where: short stacking energy: -17.019
Base-Backbone interact. energy: -0.000
local terms energy: -16.814128
where:
bonds (distance) C4'-P energy: -3.344
bonds (distance) P-C4' energy: -4.600
flat angles C4'-P-C4' energy: -2.648
flat angles P-C4'-P energy: -2.886
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: 2, replica: 1
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -33.146135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.146135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.146135 (E_RNA)
where:
Base-Base interactions energy: -15.036
where: short stacking energy: -7.295
Base-Backbone interact. energy: -0.096
local terms energy: -18.014646
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -4.468
flat angles P-C4'-P energy: -2.048
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: 3, replica: 7
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -34.669123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.669123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.669123 (E_RNA)
where:
Base-Base interactions energy: -17.488
where: short stacking energy: -17.488
Base-Backbone interact. energy: -0.000
local terms energy: -17.181433
where:
bonds (distance) C4'-P energy: -3.161
bonds (distance) P-C4' energy: -3.786
flat angles C4'-P-C4' energy: -4.368
flat angles P-C4'-P energy: -2.133
tors. eta vs tors. theta energy: -3.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -34.095163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.095163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.095163 (E_RNA)
where:
Base-Base interactions energy: -16.379
where: short stacking energy: -16.379
Base-Backbone interact. energy: -0.000
local terms energy: -17.715948
where:
bonds (distance) C4'-P energy: -2.325
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -3.401
flat angles P-C4'-P energy: -3.522
tors. eta vs tors. theta energy: -3.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -31.981464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.981464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.981464 (E_RNA)
where:
Base-Base interactions energy: -13.180
where: short stacking energy: -13.180
Base-Backbone interact. energy: -0.000
local terms energy: -18.801429
where:
bonds (distance) C4'-P energy: -4.154
bonds (distance) P-C4' energy: -2.386
flat angles C4'-P-C4' energy: -4.905
flat angles P-C4'-P energy: -3.618
tors. eta vs tors. theta energy: -3.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -29.525208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.525208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.525208 (E_RNA)
where:
Base-Base interactions energy: -12.413
where: short stacking energy: -12.413
Base-Backbone interact. energy: -0.000
local terms energy: -17.111971
where:
bonds (distance) C4'-P energy: -4.303
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -3.872
flat angles P-C4'-P energy: -2.259
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: 7, replica: 6
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -31.331824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.331824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.331824 (E_RNA)
where:
Base-Base interactions energy: -13.635
where: short stacking energy: -13.635
Base-Backbone interact. energy: -0.000
local terms energy: -17.696754
where:
bonds (distance) C4'-P energy: -3.861
bonds (distance) P-C4' energy: -3.895
flat angles C4'-P-C4' energy: -4.188
flat angles P-C4'-P energy: -1.998
tors. eta vs tors. theta energy: -3.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -21.180552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.180552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.180552 (E_RNA)
where:
Base-Base interactions energy: -5.466
where: short stacking energy: -1.999
Base-Backbone interact. energy: -0.091
local terms energy: -15.623175
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.822
flat angles P-C4'-P energy: -1.056
tors. eta vs tors. theta energy: -1.111
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: 4
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -23.124474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.124474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.124474 (E_RNA)
where:
Base-Base interactions energy: -6.567
where: short stacking energy: -6.567
Base-Backbone interact. energy: -0.000
local terms energy: -16.557649
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -3.758
flat angles P-C4'-P energy: -2.578
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: 10, replica: 3
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -22.686296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.686296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.686296 (E_RNA)
where:
Base-Base interactions energy: -7.983
where: short stacking energy: -7.983
Base-Backbone interact. energy: -0.005
local terms energy: -14.698369
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.603
flat angles C4'-P-C4' energy: -3.904
flat angles P-C4'-P energy: -1.004
tors. eta vs tors. theta energy: -0.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -32.564612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.564612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.564612 (E_RNA)
where:
Base-Base interactions energy: -17.059
where: short stacking energy: -8.272
Base-Backbone interact. energy: -0.001
local terms energy: -15.505155
where:
bonds (distance) C4'-P energy: -1.781
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -4.188
flat angles P-C4'-P energy: -3.291
tors. eta vs tors. theta energy: -1.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -33.600992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.600992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.600992 (E_RNA)
where:
Base-Base interactions energy: -12.945
where: short stacking energy: -12.945
Base-Backbone interact. energy: -0.000
local terms energy: -20.656329
where:
bonds (distance) C4'-P energy: -4.535
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.441
flat angles P-C4'-P energy: -2.845
tors. eta vs tors. theta energy: -4.167
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: 5
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -30.459462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.459462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.459462 (E_RNA)
where:
Base-Base interactions energy: -11.163
where: short stacking energy: -11.163
Base-Backbone interact. energy: -0.000
local terms energy: -19.296773
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -3.081
flat angles P-C4'-P energy: -3.607
tors. eta vs tors. theta energy: -3.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -32.574425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.574425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.574425 (E_RNA)
where:
Base-Base interactions energy: -13.149
where: short stacking energy: -13.149
Base-Backbone interact. energy: -0.000
local terms energy: -19.425295
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.398
flat angles P-C4'-P energy: -3.865
tors. eta vs tors. theta energy: -2.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -29.853166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.853166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.853166 (E_RNA)
where:
Base-Base interactions energy: -10.946
where: short stacking energy: -10.946
Base-Backbone interact. energy: -0.000
local terms energy: -18.907296
where:
bonds (distance) C4'-P energy: -3.773
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.944
flat angles P-C4'-P energy: -3.739
tors. eta vs tors. theta energy: -2.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -31.291895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.291895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.291895 (E_RNA)
where:
Base-Base interactions energy: -11.085
where: short stacking energy: -11.085
Base-Backbone interact. energy: -0.000
local terms energy: -20.206635
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -4.295
flat angles P-C4'-P energy: -3.239
tors. eta vs tors. theta energy: -3.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -31.240175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.240175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.240175 (E_RNA)
where:
Base-Base interactions energy: -13.269
where: short stacking energy: -13.269
Base-Backbone interact. energy: -0.000
local terms energy: -17.971308
where:
bonds (distance) C4'-P energy: -3.406
bonds (distance) P-C4' energy: -3.523
flat angles C4'-P-C4' energy: -3.811
flat angles P-C4'-P energy: -2.288
tors. eta vs tors. theta energy: -4.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -29.732931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.732931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.732931 (E_RNA)
where:
Base-Base interactions energy: -11.541
where: short stacking energy: -11.541
Base-Backbone interact. energy: -0.000
local terms energy: -18.191709
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.182
flat angles P-C4'-P energy: -2.222
tors. eta vs tors. theta energy: -2.324
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: 3
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -30.889420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.889420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.889420 (E_RNA)
where:
Base-Base interactions energy: -12.843
where: short stacking energy: -12.843
Base-Backbone interact. energy: -0.000
local terms energy: -18.046528
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -3.324
flat angles C4'-P-C4' energy: -4.129
flat angles P-C4'-P energy: -1.940
tors. eta vs tors. theta energy: -4.251
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: 4
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -22.966965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.966965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.966965 (E_RNA)
where:
Base-Base interactions energy: -8.079
where: short stacking energy: -8.079
Base-Backbone interact. energy: -0.000
local terms energy: -14.888117
where:
bonds (distance) C4'-P energy: -1.550
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -4.549
flat angles P-C4'-P energy: -1.499
tors. eta vs tors. theta energy: -1.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -33.481899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.481899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.481899 (E_RNA)
where:
Base-Base interactions energy: -15.667
where: short stacking energy: -12.718
Base-Backbone interact. energy: -0.000
local terms energy: -17.814146
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -4.202
flat angles C4'-P-C4' energy: -4.207
flat angles P-C4'-P energy: -2.517
tors. eta vs tors. theta energy: -3.339
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: 5
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -27.594324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.594324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.594324 (E_RNA)
where:
Base-Base interactions energy: -8.177
where: short stacking energy: -8.177
Base-Backbone interact. energy: -0.000
local terms energy: -19.417373
where:
bonds (distance) C4'-P energy: -3.683
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -3.726
flat angles P-C4'-P energy: -3.688
tors. eta vs tors. theta energy: -3.196
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: 215
Temperature: 1.000000
Total energy: -32.832997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.832997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.832997 (E_RNA)
where:
Base-Base interactions energy: -14.353
where: short stacking energy: -14.353
Base-Backbone interact. energy: -0.000
local terms energy: -18.479572
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.653
flat angles C4'-P-C4' energy: -3.485
flat angles P-C4'-P energy: -3.222
tors. eta vs tors. theta energy: -2.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -32.744441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.744441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.744441 (E_RNA)
where:
Base-Base interactions energy: -13.592
where: short stacking energy: -13.592
Base-Backbone interact. energy: -0.032
local terms energy: -19.120425
where:
bonds (distance) C4'-P energy: -3.939
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.154
flat angles P-C4'-P energy: -2.751
tors. eta vs tors. theta energy: -2.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -25.961684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.961684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.961684 (E_RNA)
where:
Base-Base interactions energy: -9.112
where: short stacking energy: -9.112
Base-Backbone interact. energy: -0.000
local terms energy: -16.849645
where:
bonds (distance) C4'-P energy: -2.962
bonds (distance) P-C4' energy: -4.656
flat angles C4'-P-C4' energy: -4.218
flat angles P-C4'-P energy: -2.848
tors. eta vs tors. theta energy: -2.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -28.338828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.338828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.338828 (E_RNA)
where:
Base-Base interactions energy: -10.370
where: short stacking energy: -10.370
Base-Backbone interact. energy: -0.000
local terms energy: -17.969266
where:
bonds (distance) C4'-P energy: -3.673
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -4.486
flat angles P-C4'-P energy: -2.756
tors. eta vs tors. theta energy: -2.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -30.173063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.173063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.173063 (E_RNA)
where:
Base-Base interactions energy: -13.362
where: short stacking energy: -13.362
Base-Backbone interact. energy: -0.000
local terms energy: -16.811043
where:
bonds (distance) C4'-P energy: -3.140
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -4.253
flat angles P-C4'-P energy: -2.589
tors. eta vs tors. theta energy: -1.704
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: 3
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -27.040231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.040231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.040231 (E_RNA)
where:
Base-Base interactions energy: -8.636
where: short stacking energy: -8.636
Base-Backbone interact. energy: -0.000
local terms energy: -18.404360
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -3.751
flat angles C4'-P-C4' energy: -2.949
flat angles P-C4'-P energy: -2.923
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: 9, replica: 6
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -25.181198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.181198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.181198 (E_RNA)
where:
Base-Base interactions energy: -8.610
where: short stacking energy: -8.610
Base-Backbone interact. energy: -0.014
local terms energy: -16.556997
where:
bonds (distance) C4'-P energy: -3.185
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -3.416
flat angles P-C4'-P energy: -3.781
tors. eta vs tors. theta energy: -1.318
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: 4
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -24.679602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.679602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.679602 (E_RNA)
where:
Base-Base interactions energy: -6.582
where: short stacking energy: -6.582
Base-Backbone interact. energy: -0.000
local terms energy: -18.097755
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.010
flat angles P-C4'-P energy: -1.211
tors. eta vs tors. theta energy: -3.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -38.703030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.703030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.703030 (E_RNA)
where:
Base-Base interactions energy: -18.411
where: short stacking energy: -18.411
Base-Backbone interact. energy: -0.000
local terms energy: -20.291568
where:
bonds (distance) C4'-P energy: -4.038
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -4.589
flat angles P-C4'-P energy: -2.259
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: 2, replica: 1
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -34.474144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.474144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.474144 (E_RNA)
where:
Base-Base interactions energy: -15.301
where: short stacking energy: -15.301
Base-Backbone interact. energy: -0.000
local terms energy: -19.173237
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -4.943
flat angles P-C4'-P energy: -2.180
tors. eta vs tors. theta energy: -2.961
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: 3, replica: 10
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -33.422988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.422988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.422988 (E_RNA)
where:
Base-Base interactions energy: -12.765
where: short stacking energy: -12.765
Base-Backbone interact. energy: -0.000
local terms energy: -20.657778
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.475
flat angles P-C4'-P energy: -3.814
tors. eta vs tors. theta energy: -3.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -31.461159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.461159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.461159 (E_RNA)
where:
Base-Base interactions energy: -11.010
where: short stacking energy: -11.010
Base-Backbone interact. energy: -0.000
local terms energy: -20.450759
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -4.467
flat angles P-C4'-P energy: -3.130
tors. eta vs tors. theta energy: -3.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -31.841175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.841175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.841175 (E_RNA)
where:
Base-Base interactions energy: -15.696
where: short stacking energy: -9.201
Base-Backbone interact. energy: -0.402
local terms energy: -15.743422
where:
bonds (distance) C4'-P energy: -2.846
bonds (distance) P-C4' energy: -4.600
flat angles C4'-P-C4' energy: -4.184
flat angles P-C4'-P energy: -3.289
tors. eta vs tors. theta energy: -0.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -27.554894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.554894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.554894 (E_RNA)
where:
Base-Base interactions energy: -8.103
where: short stacking energy: -8.103
Base-Backbone interact. energy: -0.001
local terms energy: -19.450957
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.313
flat angles P-C4'-P energy: -3.484
tors. eta vs tors. theta energy: -3.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -23.777189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.777189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.777189 (E_RNA)
where:
Base-Base interactions energy: -9.782
where: short stacking energy: -9.782
Base-Backbone interact. energy: -0.000
local terms energy: -13.994710
where:
bonds (distance) C4'-P energy: -3.753
bonds (distance) P-C4' energy: -4.177
flat angles C4'-P-C4' energy: -3.292
flat angles P-C4'-P energy: -2.951
tors. eta vs tors. theta energy: 0.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -26.295328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.295328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.295328 (E_RNA)
where:
Base-Base interactions energy: -6.882
where: short stacking energy: -6.882
Base-Backbone interact. energy: -0.009
local terms energy: -19.403936
where:
bonds (distance) C4'-P energy: -3.479
bonds (distance) P-C4' energy: -5.361
flat angles C4'-P-C4' energy: -4.148
flat angles P-C4'-P energy: -2.682
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: 9, replica: 4
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -25.778266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.778266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.778266 (E_RNA)
where:
Base-Base interactions energy: -9.245
where: short stacking energy: -9.245
Base-Backbone interact. energy: -0.035
local terms energy: -16.498418
where:
bonds (distance) C4'-P energy: -3.753
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.725
flat angles P-C4'-P energy: -0.820
tors. eta vs tors. theta energy: -3.086
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: 6
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -23.407968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.407968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.407968 (E_RNA)
where:
Base-Base interactions energy: -9.179
where: short stacking energy: -9.179
Base-Backbone interact. energy: -0.000
local terms energy: -14.229097
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -3.337
flat angles P-C4'-P energy: 0.203
tors. eta vs tors. theta energy: -1.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -37.625254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.625254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.625254 (E_RNA)
where:
Base-Base interactions energy: -18.203
where: short stacking energy: -18.203
Base-Backbone interact. energy: -0.000
local terms energy: -19.421801
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -3.529
flat angles C4'-P-C4' energy: -4.545
flat angles P-C4'-P energy: -3.100
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: 2, replica: 10
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -30.622179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.622179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.622179 (E_RNA)
where:
Base-Base interactions energy: -11.035
where: short stacking energy: -11.035
Base-Backbone interact. energy: -0.000
local terms energy: -19.587047
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -3.955
flat angles P-C4'-P energy: -2.838
tors. eta vs tors. theta energy: -3.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -34.012036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.012036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.012036 (E_RNA)
where:
Base-Base interactions energy: -13.712
where: short stacking energy: -13.712
Base-Backbone interact. energy: -0.000
local terms energy: -20.299886
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -2.920
flat angles P-C4'-P energy: -4.012
tors. eta vs tors. theta energy: -4.336
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: 9
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -31.004234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.004234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.004234 (E_RNA)
where:
Base-Base interactions energy: -10.582
where: short stacking energy: -10.582
Base-Backbone interact. energy: -0.000
local terms energy: -20.422720
where:
bonds (distance) C4'-P energy: -4.419
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -3.954
flat angles P-C4'-P energy: -3.041
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: 5, replica: 8
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -26.111823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.111823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.111823 (E_RNA)
where:
Base-Base interactions energy: -9.810
where: short stacking energy: -9.810
Base-Backbone interact. energy: -0.001
local terms energy: -16.300758
where:
bonds (distance) C4'-P energy: -3.923
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -4.924
flat angles P-C4'-P energy: -3.066
tors. eta vs tors. theta energy: 0.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -29.314925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.314925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.314925 (E_RNA)
where:
Base-Base interactions energy: -10.034
where: short stacking energy: -10.034
Base-Backbone interact. energy: -0.000
local terms energy: -19.280870
where:
bonds (distance) C4'-P energy: -4.154
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -4.182
flat angles P-C4'-P energy: -2.584
tors. eta vs tors. theta energy: -3.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -26.481356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.481356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.481356 (E_RNA)
where:
Base-Base interactions energy: -10.324
where: short stacking energy: -10.324
Base-Backbone interact. energy: -0.007
local terms energy: -16.149464
where:
bonds (distance) C4'-P energy: -3.753
bonds (distance) P-C4' energy: -3.078
flat angles C4'-P-C4' energy: -3.468
flat angles P-C4'-P energy: -4.025
tors. eta vs tors. theta energy: -1.825
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: 4
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -25.692055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.692055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.692055 (E_RNA)
where:
Base-Base interactions energy: -12.051
where: short stacking energy: -12.051
Base-Backbone interact. energy: -0.000
local terms energy: -13.641266
where:
bonds (distance) C4'-P energy: -2.920
bonds (distance) P-C4' energy: -3.748
flat angles C4'-P-C4' energy: -4.026
flat angles P-C4'-P energy: 0.096
tors. eta vs tors. theta energy: -3.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -30.288351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.288351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.288351 (E_RNA)
where:
Base-Base interactions energy: -11.373
where: short stacking energy: -11.373
Base-Backbone interact. energy: -0.000
local terms energy: -18.915618
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -4.410
flat angles C4'-P-C4' energy: -4.609
flat angles P-C4'-P energy: -2.243
tors. eta vs tors. theta energy: -3.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -26.194863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.194863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.194863 (E_RNA)
where:
Base-Base interactions energy: -12.921
where: short stacking energy: -4.365
Base-Backbone interact. energy: -0.016
local terms energy: -13.257276
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -1.051
flat angles C4'-P-C4' energy: -4.712
flat angles P-C4'-P energy: -2.475
tors. eta vs tors. theta energy: -0.625
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: 218
Temperature: 0.900000
Total energy: -33.310936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.310936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.310936 (E_RNA)
where:
Base-Base interactions energy: -13.614
where: short stacking energy: -13.614
Base-Backbone interact. energy: -0.000
local terms energy: -19.697277
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.628
flat angles C4'-P-C4' energy: -3.537
flat angles P-C4'-P energy: -3.037
tors. eta vs tors. theta energy: -4.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -30.021101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.021101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.021101 (E_RNA)
where:
Base-Base interactions energy: -13.705
where: short stacking energy: -13.705
Base-Backbone interact. energy: -0.078
local terms energy: -16.238514
where:
bonds (distance) C4'-P energy: -3.344
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -3.197
flat angles P-C4'-P energy: -3.575
tors. eta vs tors. theta energy: -1.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -31.868821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.868821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.868821 (E_RNA)
where:
Base-Base interactions energy: -13.978
where: short stacking energy: -13.978
Base-Backbone interact. energy: -0.050
local terms energy: -17.840858
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -3.515
flat angles C4'-P-C4' energy: -4.589
flat angles P-C4'-P energy: -2.731
tors. eta vs tors. theta energy: -2.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -33.513005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.513005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.513005 (E_RNA)
where:
Base-Base interactions energy: -13.129
where: short stacking energy: -13.129
Base-Backbone interact. energy: -0.000
local terms energy: -20.383565
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.870
flat angles P-C4'-P energy: -2.557
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: 5, replica: 2
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -31.211890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.211890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.211890 (E_RNA)
where:
Base-Base interactions energy: -15.215
where: short stacking energy: -15.215
Base-Backbone interact. energy: -0.000
local terms energy: -15.996613
where:
bonds (distance) C4'-P energy: -2.130
bonds (distance) P-C4' energy: -4.600
flat angles C4'-P-C4' energy: -3.201
flat angles P-C4'-P energy: -3.826
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: 6, replica: 8
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -28.267343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.267343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.267343 (E_RNA)
where:
Base-Base interactions energy: -12.214
where: short stacking energy: -12.214
Base-Backbone interact. energy: -0.008
local terms energy: -16.045448
where:
bonds (distance) C4'-P energy: -4.055
bonds (distance) P-C4' energy: -2.241
flat angles C4'-P-C4' energy: -4.362
flat angles P-C4'-P energy: -2.753
tors. eta vs tors. theta energy: -2.635
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: 4
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -33.177242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.177242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.177242 (E_RNA)
where:
Base-Base interactions energy: -14.260
where: short stacking energy: -14.260
Base-Backbone interact. energy: -0.000
local terms energy: -18.917114
where:
bonds (distance) C4'-P energy: -3.479
bonds (distance) P-C4' energy: -4.180
flat angles C4'-P-C4' energy: -3.635
flat angles P-C4'-P energy: -3.522
tors. eta vs tors. theta energy: -4.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -27.657936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.657936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.657936 (E_RNA)
where:
Base-Base interactions energy: -8.415
where: short stacking energy: -8.415
Base-Backbone interact. energy: -0.000
local terms energy: -19.243228
where:
bonds (distance) C4'-P energy: -3.815
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.506
flat angles P-C4'-P energy: -3.721
tors. eta vs tors. theta energy: -2.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -23.733938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.733938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.733938 (E_RNA)
where:
Base-Base interactions energy: -9.023
where: short stacking energy: -9.023
Base-Backbone interact. energy: -0.001
local terms energy: -14.709615
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.130
flat angles P-C4'-P energy: -2.811
tors. eta vs tors. theta energy: 1.458
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: 3
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -29.930511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.930511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.930511 (E_RNA)
where:
Base-Base interactions energy: -13.432
where: short stacking energy: -13.432
Base-Backbone interact. energy: -0.000
local terms energy: -16.498921
where:
bonds (distance) C4'-P energy: -3.152
bonds (distance) P-C4' energy: -4.202
flat angles C4'-P-C4' energy: -3.593
flat angles P-C4'-P energy: -3.574
tors. eta vs tors. theta energy: -1.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -32.725006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.725006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.725006 (E_RNA)
where:
Base-Base interactions energy: -14.202
where: short stacking energy: -14.202
Base-Backbone interact. energy: -0.000
local terms energy: -18.523085
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -3.815
flat angles C4'-P-C4' energy: -4.628
flat angles P-C4'-P energy: -3.448
tors. eta vs tors. theta energy: -2.524
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: 9
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -33.377525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.377525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.377525 (E_RNA)
where:
Base-Base interactions energy: -12.240
where: short stacking energy: -12.240
Base-Backbone interact. energy: -0.000
local terms energy: -21.137148
where:
bonds (distance) C4'-P energy: -3.645
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -4.295
flat angles P-C4'-P energy: -2.951
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: 3, replica: 5
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -31.002793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.002793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.002793 (E_RNA)
where:
Base-Base interactions energy: -12.953
where: short stacking energy: -12.953
Base-Backbone interact. energy: -0.000
local terms energy: -18.049799
where:
bonds (distance) C4'-P energy: -3.558
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -3.368
flat angles P-C4'-P energy: -3.892
tors. eta vs tors. theta energy: -2.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -30.538709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.538709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.538709 (E_RNA)
where:
Base-Base interactions energy: -13.497
where: short stacking energy: -13.497
Base-Backbone interact. energy: -0.000
local terms energy: -17.041088
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -3.944
flat angles C4'-P-C4' energy: -4.289
flat angles P-C4'-P energy: -2.528
tors. eta vs tors. theta energy: -1.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -29.677070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.677070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.677070 (E_RNA)
where:
Base-Base interactions energy: -12.892
where: short stacking energy: -12.892
Base-Backbone interact. energy: -0.000
local terms energy: -16.784658
where:
bonds (distance) C4'-P energy: -2.680
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -4.169
flat angles P-C4'-P energy: -2.822
tors. eta vs tors. theta energy: -2.257
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: 4
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -34.117555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.117555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.117555 (E_RNA)
where:
Base-Base interactions energy: -12.235
where: short stacking energy: -12.235
Base-Backbone interact. energy: -0.000
local terms energy: -21.882193
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -4.632
flat angles P-C4'-P energy: -3.593
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: 7, replica: 8
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -28.878755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.878755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.878755 (E_RNA)
where:
Base-Base interactions energy: -12.802
where: short stacking energy: -12.802
Base-Backbone interact. energy: -0.000
local terms energy: -16.076288
where:
bonds (distance) C4'-P energy: -0.337
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -3.902
flat angles P-C4'-P energy: -3.816
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: 6
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -24.583833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.583833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.583833 (E_RNA)
where:
Base-Base interactions energy: -10.315
where: short stacking energy: -10.315
Base-Backbone interact. energy: -0.000
local terms energy: -14.268769
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -1.713
flat angles P-C4'-P energy: -3.498
tors. eta vs tors. theta energy: -1.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -29.820843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.820843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.820843 (E_RNA)
where:
Base-Base interactions energy: -12.322
where: short stacking energy: -12.322
Base-Backbone interact. energy: -0.000
local terms energy: -17.499008
where:
bonds (distance) C4'-P energy: -2.581
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.712
flat angles P-C4'-P energy: -1.824
tors. eta vs tors. theta energy: -4.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -23.089564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.089564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.089564 (E_RNA)
where:
Base-Base interactions energy: -8.013
where: short stacking energy: -8.013
Base-Backbone interact. energy: -0.000
local terms energy: -15.076177
where:
bonds (distance) C4'-P energy: -2.573
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -1.611
flat angles P-C4'-P energy: -3.552
tors. eta vs tors. theta energy: -2.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -38.769119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.769119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.769119 (E_RNA)
where:
Base-Base interactions energy: -18.366
where: short stacking energy: -18.366
Base-Backbone interact. energy: -0.000
local terms energy: -20.403373
where:
bonds (distance) C4'-P energy: -3.773
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.029
flat angles P-C4'-P energy: -3.616
tors. eta vs tors. theta energy: -4.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -34.461660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.461660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.461660 (E_RNA)
where:
Base-Base interactions energy: -17.688
where: short stacking energy: -17.688
Base-Backbone interact. energy: -0.000
local terms energy: -16.773470
where:
bonds (distance) C4'-P energy: -3.781
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.377
flat angles P-C4'-P energy: 0.397
tors. eta vs tors. theta energy: -3.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -30.313602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.313602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.313602 (E_RNA)
where:
Base-Base interactions energy: -13.901
where: short stacking energy: -13.901
Base-Backbone interact. energy: -0.001
local terms energy: -16.412369
where:
bonds (distance) C4'-P energy: -3.301
bonds (distance) P-C4' energy: -4.624
flat angles C4'-P-C4' energy: -4.780
flat angles P-C4'-P energy: -2.393
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: 4, replica: 5
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -31.516956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.516956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.516956 (E_RNA)
where:
Base-Base interactions energy: -12.963
where: short stacking energy: -12.963
Base-Backbone interact. energy: -0.000
local terms energy: -18.553544
where:
bonds (distance) C4'-P energy: -3.335
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -3.096
flat angles P-C4'-P energy: -3.617
tors. eta vs tors. theta energy: -3.621
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: 4
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -24.363877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.363877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.363877 (E_RNA)
where:
Base-Base interactions energy: -6.133
where: short stacking energy: -6.133
Base-Backbone interact. energy: -0.000
local terms energy: -18.230844
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.406
flat angles C4'-P-C4' energy: -4.349
flat angles P-C4'-P energy: -2.022
tors. eta vs tors. theta energy: -2.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -30.565092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.565092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.565092 (E_RNA)
where:
Base-Base interactions energy: -13.920
where: short stacking energy: -13.920
Base-Backbone interact. energy: -0.000
local terms energy: -16.644763
where:
bonds (distance) C4'-P energy: -3.691
bonds (distance) P-C4' energy: -3.790
flat angles C4'-P-C4' energy: -3.890
flat angles P-C4'-P energy: -2.530
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: 7, replica: 6
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -30.883868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.883868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.883868 (E_RNA)
where:
Base-Base interactions energy: -12.168
where: short stacking energy: -12.168
Base-Backbone interact. energy: -0.000
local terms energy: -18.715571
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -3.263
flat angles P-C4'-P energy: -3.806
tors. eta vs tors. theta energy: -3.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -25.484204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.484204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.484204 (E_RNA)
where:
Base-Base interactions energy: -8.916
where: short stacking energy: -8.916
Base-Backbone interact. energy: -0.000
local terms energy: -16.568408
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -2.903
flat angles P-C4'-P energy: -3.452
tors. eta vs tors. theta energy: -0.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -23.142626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.142626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.142626 (E_RNA)
where:
Base-Base interactions energy: -7.709
where: short stacking energy: -7.709
Base-Backbone interact. energy: -0.072
local terms energy: -15.361885
where:
bonds (distance) C4'-P energy: -3.053
bonds (distance) P-C4' energy: -4.051
flat angles C4'-P-C4' energy: -3.719
flat angles P-C4'-P energy: -3.178
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: 10, replica: 7
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -23.251602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.251602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.251602 (E_RNA)
where:
Base-Base interactions energy: -6.915
where: short stacking energy: -6.915
Base-Backbone interact. energy: -0.000
local terms energy: -16.336750
where:
bonds (distance) C4'-P energy: -3.699
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.794
flat angles P-C4'-P energy: -1.942
tors. eta vs tors. theta energy: -1.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -39.953612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.953612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.953612 (E_RNA)
where:
Base-Base interactions energy: -17.958
where: short stacking energy: -17.958
Base-Backbone interact. energy: -0.000
local terms energy: -21.996088
where:
bonds (distance) C4'-P energy: -3.781
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -4.487
flat angles P-C4'-P energy: -3.824
tors. eta vs tors. theta energy: -5.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -35.600656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.600656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.600656 (E_RNA)
where:
Base-Base interactions energy: -18.420
where: short stacking energy: -18.420
Base-Backbone interact. energy: -0.000
local terms energy: -17.180674
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -2.983
flat angles P-C4'-P energy: -1.768
tors. eta vs tors. theta energy: -3.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -39.374252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.374252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.374252 (E_RNA)
where:
Base-Base interactions energy: -16.782
where: short stacking energy: -16.782
Base-Backbone interact. energy: -0.000
local terms energy: -22.592645
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -4.336
flat angles C4'-P-C4' energy: -4.614
flat angles P-C4'-P energy: -4.055
tors. eta vs tors. theta energy: -5.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -31.932579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.932579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.932579 (E_RNA)
where:
Base-Base interactions energy: -13.527
where: short stacking energy: -13.527
Base-Backbone interact. energy: -0.000
local terms energy: -18.405478
where:
bonds (distance) C4'-P energy: -3.691
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.229
flat angles P-C4'-P energy: -3.425
tors. eta vs tors. theta energy: -2.940
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: 5
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -27.109249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.109249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.109249 (E_RNA)
where:
Base-Base interactions energy: -9.899
where: short stacking energy: -9.899
Base-Backbone interact. energy: -0.001
local terms energy: -17.209020
where:
bonds (distance) C4'-P energy: -3.815
bonds (distance) P-C4' energy: -4.044
flat angles C4'-P-C4' energy: -3.413
flat angles P-C4'-P energy: -3.215
tors. eta vs tors. theta energy: -2.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -36.997710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.997710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.997710 (E_RNA)
where:
Base-Base interactions energy: -15.985
where: short stacking energy: -15.985
Base-Backbone interact. energy: -0.000
local terms energy: -21.012810
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.169
flat angles P-C4'-P energy: -3.227
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: 7, replica: 2
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -29.529306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.529306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.529306 (E_RNA)
where:
Base-Base interactions energy: -9.999
where: short stacking energy: -9.999
Base-Backbone interact. energy: -0.000
local terms energy: -19.530187
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.734
flat angles P-C4'-P energy: -3.043
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: 3
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -25.292220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.292220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.292220 (E_RNA)
where:
Base-Base interactions energy: -12.099
where: short stacking energy: -12.099
Base-Backbone interact. energy: -0.043
local terms energy: -13.151081
where:
bonds (distance) C4'-P energy: -2.279
bonds (distance) P-C4' energy: -4.202
flat angles C4'-P-C4' energy: -3.815
flat angles P-C4'-P energy: -0.890
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: 9, replica: 8
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -26.436853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.436853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.436853 (E_RNA)
where:
Base-Base interactions energy: -7.511
where: short stacking energy: -7.511
Base-Backbone interact. energy: -0.000
local terms energy: -18.925675
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.027
flat angles P-C4'-P energy: -2.118
tors. eta vs tors. theta energy: -3.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -27.030715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.030715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.030715 (E_RNA)
where:
Base-Base interactions energy: -12.316
where: short stacking energy: -12.316
Base-Backbone interact. energy: -0.099
local terms energy: -14.615706
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -2.183
flat angles C4'-P-C4' energy: -1.502
flat angles P-C4'-P energy: -3.873
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: 222
Temperature: 0.900000
Total energy: -38.059615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.059615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.059615 (E_RNA)
where:
Base-Base interactions energy: -17.743
where: short stacking energy: -17.743
Base-Backbone interact. energy: -0.000
local terms energy: -20.316683
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.309
flat angles P-C4'-P energy: -3.115
tors. eta vs tors. theta energy: -3.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -37.479029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.479029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.479029 (E_RNA)
where:
Base-Base interactions energy: -16.899
where: short stacking energy: -16.899
Base-Backbone interact. energy: -0.000
local terms energy: -20.579801
where:
bonds (distance) C4'-P energy: -3.629
bonds (distance) P-C4' energy: -4.078
flat angles C4'-P-C4' energy: -4.440
flat angles P-C4'-P energy: -3.071
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: 3, replica: 4
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -36.038581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.038581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.038581 (E_RNA)
where:
Base-Base interactions energy: -16.221
where: short stacking energy: -16.221
Base-Backbone interact. energy: -0.000
local terms energy: -19.817338
where:
bonds (distance) C4'-P energy: -3.753
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -3.995
flat angles P-C4'-P energy: -3.338
tors. eta vs tors. theta energy: -3.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -30.848132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.848132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.848132 (E_RNA)
where:
Base-Base interactions energy: -12.384
where: short stacking energy: -12.384
Base-Backbone interact. energy: -0.001
local terms energy: -18.463222
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -3.748
flat angles C4'-P-C4' energy: -4.433
flat angles P-C4'-P energy: -2.796
tors. eta vs tors. theta energy: -3.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -30.942744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.942744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.942744 (E_RNA)
where:
Base-Base interactions energy: -11.965
where: short stacking energy: -11.965
Base-Backbone interact. energy: -0.000
local terms energy: -18.978140
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.816
flat angles P-C4'-P energy: -2.295
tors. eta vs tors. theta energy: -2.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -31.340297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.340297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.340297 (E_RNA)
where:
Base-Base interactions energy: -11.209
where: short stacking energy: -11.209
Base-Backbone interact. energy: -0.000
local terms energy: -20.131102
where:
bonds (distance) C4'-P energy: -3.773
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -3.885
flat angles P-C4'-P energy: -2.995
tors. eta vs tors. theta energy: -5.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -27.750103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.750103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.750103 (E_RNA)
where:
Base-Base interactions energy: -11.895
where: short stacking energy: -10.437
Base-Backbone interact. energy: -0.001
local terms energy: -15.854263
where:
bonds (distance) C4'-P energy: -4.233
bonds (distance) P-C4' energy: -4.367
flat angles C4'-P-C4' energy: -2.248
flat angles P-C4'-P energy: -2.667
tors. eta vs tors. theta energy: -2.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -31.678373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.678373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.678373 (E_RNA)
where:
Base-Base interactions energy: -12.232
where: short stacking energy: -12.232
Base-Backbone interact. energy: -0.000
local terms energy: -19.446387
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -3.692
flat angles P-C4'-P energy: -3.142
tors. eta vs tors. theta energy: -3.414
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: 7
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -24.597601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.597601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.597601 (E_RNA)
where:
Base-Base interactions energy: -7.677
where: short stacking energy: -7.677
Base-Backbone interact. energy: -0.000
local terms energy: -16.920449
where:
bonds (distance) C4'-P energy: -4.419
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -3.259
flat angles P-C4'-P energy: -3.246
tors. eta vs tors. theta energy: -1.111
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: 222
Temperature: 1.350000
Total energy: -23.401251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.401251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.401251 (E_RNA)
where:
Base-Base interactions energy: -8.175
where: short stacking energy: -8.175
Base-Backbone interact. energy: -0.000
local terms energy: -15.226019
where:
bonds (distance) C4'-P energy: -3.781
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -2.935
flat angles P-C4'-P energy: -1.684
tors. eta vs tors. theta energy: -1.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -39.192379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.192379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.192379 (E_RNA)
where:
Base-Base interactions energy: -16.120
where: short stacking energy: -16.120
Base-Backbone interact. energy: -0.000
local terms energy: -23.072335
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.850
flat angles P-C4'-P energy: -3.862
tors. eta vs tors. theta energy: -5.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -36.727237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.727237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.727237 (E_RNA)
where:
Base-Base interactions energy: -17.178
where: short stacking energy: -17.178
Base-Backbone interact. energy: -0.000
local terms energy: -19.549264
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -4.434
flat angles P-C4'-P energy: -2.692
tors. eta vs tors. theta energy: -3.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -33.386351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.386351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.386351 (E_RNA)
where:
Base-Base interactions energy: -12.923
where: short stacking energy: -12.923
Base-Backbone interact. energy: -0.000
local terms energy: -20.463712
where:
bonds (distance) C4'-P energy: -3.939
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.580
flat angles P-C4'-P energy: -3.378
tors. eta vs tors. theta energy: -3.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -28.981868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.981868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.981868 (E_RNA)
where:
Base-Base interactions energy: -13.723
where: short stacking energy: -13.723
Base-Backbone interact. energy: -0.004
local terms energy: -15.255635
where:
bonds (distance) C4'-P energy: -1.195
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.525
flat angles P-C4'-P energy: -2.531
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: 5, replica: 10
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -30.114518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.114518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.114518 (E_RNA)
where:
Base-Base interactions energy: -17.042
where: short stacking energy: -17.042
Base-Backbone interact. energy: -0.000
local terms energy: -13.072770
where:
bonds (distance) C4'-P energy: -3.140
bonds (distance) P-C4' energy: -3.751
flat angles C4'-P-C4' energy: -2.883
flat angles P-C4'-P energy: -0.394
tors. eta vs tors. theta energy: -2.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -27.934427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.934427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.934427 (E_RNA)
where:
Base-Base interactions energy: -12.337
where: short stacking energy: -12.337
Base-Backbone interact. energy: -0.020
local terms energy: -15.578220
where:
bonds (distance) C4'-P energy: -2.370
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -3.079
flat angles P-C4'-P energy: -3.177
tors. eta vs tors. theta energy: -2.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -25.672386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.672386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.672386 (E_RNA)
where:
Base-Base interactions energy: -10.051
where: short stacking energy: -10.051
Base-Backbone interact. energy: -0.000
local terms energy: -15.620913
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -2.018
flat angles P-C4'-P energy: -2.099
tors. eta vs tors. theta energy: -3.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -24.142942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.142942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.142942 (E_RNA)
where:
Base-Base interactions energy: -9.497
where: short stacking energy: -9.497
Base-Backbone interact. energy: -0.000
local terms energy: -14.645650
where:
bonds (distance) C4'-P energy: -1.198
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -3.675
flat angles P-C4'-P energy: -3.058
tors. eta vs tors. theta energy: -1.850
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: 9, replica: 2
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -28.484381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.484381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.484381 (E_RNA)
where:
Base-Base interactions energy: -15.139
where: short stacking energy: -4.779
Base-Backbone interact. energy: -0.005
local terms energy: -13.340191
where:
bonds (distance) C4'-P energy: -3.042
bonds (distance) P-C4' energy: -4.044
flat angles C4'-P-C4' energy: -2.621
flat angles P-C4'-P energy: -3.243
tors. eta vs tors. theta energy: -0.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -21.188499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.188499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.188499 (E_RNA)
where:
Base-Base interactions energy: -7.838
where: short stacking energy: -7.838
Base-Backbone interact. energy: -0.047
local terms energy: -13.303334
where:
bonds (distance) C4'-P energy: -3.152
bonds (distance) P-C4' energy: -4.417
flat angles C4'-P-C4' energy: -3.576
flat angles P-C4'-P energy: -1.999
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: 9
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -32.792736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.792736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.792736 (E_RNA)
where:
Base-Base interactions energy: -11.826
where: short stacking energy: -11.826
Base-Backbone interact. energy: -0.000
local terms energy: -20.966865
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.134
flat angles C4'-P-C4' energy: -4.447
flat angles P-C4'-P energy: -3.440
tors. eta vs tors. theta energy: -4.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -36.934615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.934615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.934615 (E_RNA)
where:
Base-Base interactions energy: -16.264
where: short stacking energy: -16.264
Base-Backbone interact. energy: -0.000
local terms energy: -20.670778
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -3.853
flat angles P-C4'-P energy: -2.401
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: 3, replica: 4
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -33.516489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.516489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.516489 (E_RNA)
where:
Base-Base interactions energy: -15.205
where: short stacking energy: -15.205
Base-Backbone interact. energy: -0.000
local terms energy: -18.311118
where:
bonds (distance) C4'-P energy: -4.038
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -4.367
flat angles P-C4'-P energy: -1.090
tors. eta vs tors. theta energy: -3.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -33.048723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.048723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.048723 (E_RNA)
where:
Base-Base interactions energy: -14.776
where: short stacking energy: -14.776
Base-Backbone interact. energy: -0.000
local terms energy: -18.273149
where:
bonds (distance) C4'-P energy: -2.066
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.118
flat angles P-C4'-P energy: -2.687
tors. eta vs tors. theta energy: -4.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -31.913499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.913499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.913499 (E_RNA)
where:
Base-Base interactions energy: -13.164
where: short stacking energy: -11.011
Base-Backbone interact. energy: -0.010
local terms energy: -18.739847
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.374
flat angles P-C4'-P energy: -3.554
tors. eta vs tors. theta energy: -2.164
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: 6, replica: 10
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -26.526940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.526940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.526940 (E_RNA)
where:
Base-Base interactions energy: -9.495
where: short stacking energy: -9.495
Base-Backbone interact. energy: -0.000
local terms energy: -17.031813
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -3.557
flat angles C4'-P-C4' energy: -3.908
flat angles P-C4'-P energy: -2.345
tors. eta vs tors. theta energy: -2.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -35.097969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.097969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.097969 (E_RNA)
where:
Base-Base interactions energy: -14.343
where: short stacking energy: -14.343
Base-Backbone interact. energy: -0.000
local terms energy: -20.754909
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -3.414
flat angles C4'-P-C4' energy: -4.555
flat angles P-C4'-P energy: -3.241
tors. eta vs tors. theta energy: -5.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -26.539362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.539362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.539362 (E_RNA)
where:
Base-Base interactions energy: -11.870
where: short stacking energy: -11.563
Base-Backbone interact. energy: -0.004
local terms energy: -14.665833
where:
bonds (distance) C4'-P energy: -4.038
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -1.195
flat angles P-C4'-P energy: -2.720
tors. eta vs tors. theta energy: -1.598
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: 8
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -22.420507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.420507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.420507 (E_RNA)
where:
Base-Base interactions energy: -7.906
where: short stacking energy: -7.906
Base-Backbone interact. energy: -0.004
local terms energy: -14.511330
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -3.929
flat angles P-C4'-P energy: -1.510
tors. eta vs tors. theta energy: -0.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -28.701705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.701705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.701705 (E_RNA)
where:
Base-Base interactions energy: -10.027
where: short stacking energy: -10.027
Base-Backbone interact. energy: -0.004
local terms energy: -18.670852
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.875
flat angles P-C4'-P energy: -2.411
tors. eta vs tors. theta energy: -1.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -33.855166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.855166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.855166 (E_RNA)
where:
Base-Base interactions energy: -14.186
where: short stacking energy: -14.186
Base-Backbone interact. energy: -0.000
local terms energy: -19.669012
where:
bonds (distance) C4'-P energy: -3.185
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.820
flat angles P-C4'-P energy: -3.778
tors. eta vs tors. theta energy: -2.793
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: 2, replica: 4
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -38.415044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.415044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.415044 (E_RNA)
where:
Base-Base interactions energy: -16.310
where: short stacking energy: -16.310
Base-Backbone interact. energy: -0.000
local terms energy: -22.105281
where:
bonds (distance) C4'-P energy: -3.309
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -4.235
flat angles P-C4'-P energy: -3.900
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: 3, replica: 1
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -31.551646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.551646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.551646 (E_RNA)
where:
Base-Base interactions energy: -12.520
where: short stacking energy: -12.520
Base-Backbone interact. energy: -0.003
local terms energy: -19.029205
where:
bonds (distance) C4'-P energy: -4.750
bonds (distance) P-C4' energy: -4.628
flat angles C4'-P-C4' energy: -4.678
flat angles P-C4'-P energy: -2.671
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: 4, replica: 3
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -33.131561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.131561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.131561 (E_RNA)
where:
Base-Base interactions energy: -15.339
where: short stacking energy: -15.339
Base-Backbone interact. energy: -0.000
local terms energy: -17.792775
where:
bonds (distance) C4'-P energy: -2.449
bonds (distance) P-C4' energy: -3.553
flat angles C4'-P-C4' energy: -4.344
flat angles P-C4'-P energy: -2.640
tors. eta vs tors. theta energy: -4.805
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: 6
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -32.275120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.275120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.275120 (E_RNA)
where:
Base-Base interactions energy: -13.992
where: short stacking energy: -13.992
Base-Backbone interact. energy: -0.000
local terms energy: -18.283493
where:
bonds (distance) C4'-P energy: -3.673
bonds (distance) P-C4' energy: -4.649
flat angles C4'-P-C4' energy: -4.467
flat angles P-C4'-P energy: -3.765
tors. eta vs tors. theta energy: -1.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -31.351421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.351421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.351421 (E_RNA)
where:
Base-Base interactions energy: -12.473
where: short stacking energy: -12.473
Base-Backbone interact. energy: -0.000
local terms energy: -18.878363
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -3.364
flat angles C4'-P-C4' energy: -4.063
flat angles P-C4'-P energy: -3.843
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: 7, replica: 10
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -25.371219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.371219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.371219 (E_RNA)
where:
Base-Base interactions energy: -10.576
where: short stacking energy: -10.576
Base-Backbone interact. energy: -0.001
local terms energy: -14.794307
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -4.339
flat angles C4'-P-C4' energy: -4.613
flat angles P-C4'-P energy: -2.133
tors. eta vs tors. theta energy: 0.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -28.788338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.788338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.788338 (E_RNA)
where:
Base-Base interactions energy: -11.893
where: short stacking energy: -11.893
Base-Backbone interact. energy: -0.000
local terms energy: -16.895013
where:
bonds (distance) C4'-P energy: -3.815
bonds (distance) P-C4' energy: -3.683
flat angles C4'-P-C4' energy: -4.028
flat angles P-C4'-P energy: -2.136
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: 9, replica: 5
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -25.673048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.673048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.673048 (E_RNA)
where:
Base-Base interactions energy: -8.950
where: short stacking energy: -8.950
Base-Backbone interact. energy: -0.021
local terms energy: -16.701855
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.575
flat angles C4'-P-C4' energy: -3.203
flat angles P-C4'-P energy: -2.968
tors. eta vs tors. theta energy: -1.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -28.459261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.459261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.459261 (E_RNA)
where:
Base-Base interactions energy: -15.839
where: short stacking energy: -7.752
Base-Backbone interact. energy: -0.011
local terms energy: -12.609677
where:
bonds (distance) C4'-P energy: -3.637
bonds (distance) P-C4' energy: -4.659
flat angles C4'-P-C4' energy: -3.207
flat angles P-C4'-P energy: -1.713
tors. eta vs tors. theta energy: 0.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -35.221756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.221756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.221756 (E_RNA)
where:
Base-Base interactions energy: -15.262
where: short stacking energy: -15.262
Base-Backbone interact. energy: -0.000
local terms energy: -19.959548
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -3.839
flat angles P-C4'-P energy: -3.140
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: 2, replica: 9
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -36.761776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.761776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.761776 (E_RNA)
where:
Base-Base interactions energy: -17.006
where: short stacking energy: -17.006
Base-Backbone interact. energy: -0.000
local terms energy: -19.755353
where:
bonds (distance) C4'-P energy: -3.148
bonds (distance) P-C4' energy: -4.867
flat angles C4'-P-C4' energy: -4.098
flat angles P-C4'-P energy: -2.456
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: 3, replica: 3
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -32.649131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.649131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.649131 (E_RNA)
where:
Base-Base interactions energy: -12.802
where: short stacking energy: -12.802
Base-Backbone interact. energy: -0.000
local terms energy: -19.846899
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.957
flat angles P-C4'-P energy: -3.473
tors. eta vs tors. theta energy: -3.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -33.460638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.460638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.460638 (E_RNA)
where:
Base-Base interactions energy: -12.621
where: short stacking energy: -12.621
Base-Backbone interact. energy: -0.000
local terms energy: -20.839531
where:
bonds (distance) C4'-P energy: -3.541
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.513
flat angles P-C4'-P energy: -3.640
tors. eta vs tors. theta energy: -4.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -30.242631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.242631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.242631 (E_RNA)
where:
Base-Base interactions energy: -13.196
where: short stacking energy: -13.196
Base-Backbone interact. energy: -0.000
local terms energy: -17.046742
where:
bonds (distance) C4'-P energy: -3.861
bonds (distance) P-C4' energy: -4.674
flat angles C4'-P-C4' energy: -3.858
flat angles P-C4'-P energy: -2.746
tors. eta vs tors. theta energy: -1.908
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: 6
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -26.464302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.464302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.464302 (E_RNA)
where:
Base-Base interactions energy: -10.736
where: short stacking energy: -10.736
Base-Backbone interact. energy: -0.000
local terms energy: -15.728187
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.224
flat angles P-C4'-P energy: -2.723
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: 7, replica: 8
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -23.713798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.713798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.713798 (E_RNA)
where:
Base-Base interactions energy: -12.034
where: short stacking energy: -8.661
Base-Backbone interact. energy: -0.002
local terms energy: -11.677705
where:
bonds (distance) C4'-P energy: -3.861
bonds (distance) P-C4' energy: -1.928
flat angles C4'-P-C4' energy: -4.445
flat angles P-C4'-P energy: -2.668
tors. eta vs tors. theta energy: 1.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -26.981192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.981192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.981192 (E_RNA)
where:
Base-Base interactions energy: -9.248
where: short stacking energy: -9.248
Base-Backbone interact. energy: -0.013
local terms energy: -17.720634
where:
bonds (distance) C4'-P energy: -3.691
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -4.299
flat angles P-C4'-P energy: -3.326
tors. eta vs tors. theta energy: -1.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -28.387578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.387578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.387578 (E_RNA)
where:
Base-Base interactions energy: -18.212
where: short stacking energy: -8.887
Base-Backbone interact. energy: -0.002
local terms energy: -10.173617
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -3.398
flat angles C4'-P-C4' energy: -1.147
flat angles P-C4'-P energy: -0.674
tors. eta vs tors. theta energy: -0.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -28.869582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.869582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.869582 (E_RNA)
where:
Base-Base interactions energy: -9.705
where: short stacking energy: -9.705
Base-Backbone interact. energy: -0.000
local terms energy: -19.164847
where:
bonds (distance) C4'-P energy: -4.038
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -4.712
flat angles P-C4'-P energy: -2.956
tors. eta vs tors. theta energy: -2.576
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: 1, replica: 4
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -38.748281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.748281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.748281 (E_RNA)
where:
Base-Base interactions energy: -17.575
where: short stacking energy: -17.575
Base-Backbone interact. energy: -0.000
local terms energy: -21.172870
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -3.916
flat angles C4'-P-C4' energy: -4.290
flat angles P-C4'-P energy: -3.349
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: 2, replica: 3
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -31.209695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.209695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.209695 (E_RNA)
where:
Base-Base interactions energy: -12.919
where: short stacking energy: -12.919
Base-Backbone interact. energy: -0.000
local terms energy: -18.291135
where:
bonds (distance) C4'-P energy: -3.309
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -2.014
flat angles P-C4'-P energy: -3.994
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: 3, replica: 9
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -31.387777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.387777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.387777 (E_RNA)
where:
Base-Base interactions energy: -12.556
where: short stacking energy: -12.556
Base-Backbone interact. energy: -0.000
local terms energy: -18.831603
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.552
flat angles P-C4'-P energy: -3.644
tors. eta vs tors. theta energy: -2.161
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: 7
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -23.665371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.665371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.665371 (E_RNA)
where:
Base-Base interactions energy: -9.126
where: short stacking energy: -9.126
Base-Backbone interact. energy: -0.000
local terms energy: -14.539578
where:
bonds (distance) C4'-P energy: -3.045
bonds (distance) P-C4' energy: -2.211
flat angles C4'-P-C4' energy: -3.848
flat angles P-C4'-P energy: -2.784
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: 5, replica: 1
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -29.211810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.211810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.211810 (E_RNA)
where:
Base-Base interactions energy: -11.461
where: short stacking energy: -11.461
Base-Backbone interact. energy: -0.034
local terms energy: -17.716780
where:
bonds (distance) C4'-P energy: -3.691
bonds (distance) P-C4' energy: -2.747
flat angles C4'-P-C4' energy: -4.717
flat angles P-C4'-P energy: -3.803
tors. eta vs tors. theta energy: -2.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -32.600398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.600398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.600398 (E_RNA)
where:
Base-Base interactions energy: -15.929
where: short stacking energy: -15.929
Base-Backbone interact. energy: -0.000
local terms energy: -16.671678
where:
bonds (distance) C4'-P energy: -1.384
bonds (distance) P-C4' energy: -4.624
flat angles C4'-P-C4' energy: -3.836
flat angles P-C4'-P energy: -3.510
tors. eta vs tors. theta energy: -3.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -33.807506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.807506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.807506 (E_RNA)
where:
Base-Base interactions energy: -14.783
where: short stacking energy: -14.783
Base-Backbone interact. energy: -0.000
local terms energy: -19.024240
where:
bonds (distance) C4'-P energy: -3.372
bonds (distance) P-C4' energy: -4.339
flat angles C4'-P-C4' energy: -4.276
flat angles P-C4'-P energy: -2.356
tors. eta vs tors. theta energy: -4.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -30.628743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.628743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.628743 (E_RNA)
where:
Base-Base interactions energy: -13.072
where: short stacking energy: -13.072
Base-Backbone interact. energy: -0.007
local terms energy: -17.550229
where:
bonds (distance) C4'-P energy: -3.595
bonds (distance) P-C4' energy: -4.051
flat angles C4'-P-C4' energy: -4.325
flat angles P-C4'-P energy: -3.739
tors. eta vs tors. theta energy: -1.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -28.410877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.410877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.410877 (E_RNA)
where:
Base-Base interactions energy: -10.801
where: short stacking energy: -10.801
Base-Backbone interact. energy: -0.000
local terms energy: -17.609813
where:
bonds (distance) C4'-P energy: -3.152
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -3.331
flat angles P-C4'-P energy: -2.098
tors. eta vs tors. theta energy: -4.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -22.995870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.995870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.995870 (E_RNA)
where:
Base-Base interactions energy: -8.360
where: short stacking energy: -4.074
Base-Backbone interact. energy: -0.012
local terms energy: -14.624654
where:
bonds (distance) C4'-P energy: -2.299
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -3.811
flat angles P-C4'-P energy: -2.936
tors. eta vs tors. theta energy: -1.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -37.481982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.481982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.481982 (E_RNA)
where:
Base-Base interactions energy: -16.306
where: short stacking energy: -16.306
Base-Backbone interact. energy: -0.000
local terms energy: -21.176040
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.678
flat angles C4'-P-C4' energy: -3.239
flat angles P-C4'-P energy: -3.709
tors. eta vs tors. theta energy: -5.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -37.614901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.614901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.614901 (E_RNA)
where:
Base-Base interactions energy: -16.256
where: short stacking energy: -16.256
Base-Backbone interact. energy: -0.000
local terms energy: -21.358413
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -4.100
flat angles P-C4'-P energy: -3.637
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: 3, replica: 7
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -28.897045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.897045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.897045 (E_RNA)
where:
Base-Base interactions energy: -12.617
where: short stacking energy: -12.617
Base-Backbone interact. energy: -0.000
local terms energy: -16.280045
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -3.572
flat angles P-C4'-P energy: -2.496
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: 4, replica: 9
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -26.128592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.128592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.128592 (E_RNA)
where:
Base-Base interactions energy: -8.667
where: short stacking energy: -8.667
Base-Backbone interact. energy: -0.001
local terms energy: -17.460132
where:
bonds (distance) C4'-P energy: -3.306
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -2.422
flat angles P-C4'-P energy: -3.136
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: 5, replica: 8
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -31.546491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.546491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.546491 (E_RNA)
where:
Base-Base interactions energy: -12.694
where: short stacking energy: -12.694
Base-Backbone interact. energy: -0.000
local terms energy: -18.852694
where:
bonds (distance) C4'-P energy: -1.952
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -2.870
flat angles P-C4'-P energy: -3.569
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: 6, replica: 1
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -25.420808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.420808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.420808 (E_RNA)
where:
Base-Base interactions energy: -8.956
where: short stacking energy: -8.956
Base-Backbone interact. energy: -0.000
local terms energy: -16.464677
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.177
flat angles C4'-P-C4' energy: -2.643
flat angles P-C4'-P energy: -2.259
tors. eta vs tors. theta energy: -2.983
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: 7, replica: 2
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -29.579470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.579470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.579470 (E_RNA)
where:
Base-Base interactions energy: -11.209
where: short stacking energy: -11.209
Base-Backbone interact. energy: -0.000
local terms energy: -18.370452
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.047
flat angles C4'-P-C4' energy: -2.877
flat angles P-C4'-P energy: -3.481
tors. eta vs tors. theta energy: -3.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -29.296159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.296159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.296159 (E_RNA)
where:
Base-Base interactions energy: -11.644
where: short stacking energy: -11.644
Base-Backbone interact. energy: -0.000
local terms energy: -17.652286
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -4.106
flat angles C4'-P-C4' energy: -3.530
flat angles P-C4'-P energy: -2.737
tors. eta vs tors. theta energy: -2.752
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: 228
Temperature: 1.300000
Total energy: -26.444379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.444379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.444379 (E_RNA)
where:
Base-Base interactions energy: -6.942
where: short stacking energy: -6.942
Base-Backbone interact. energy: -0.000
local terms energy: -19.502616
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.578
flat angles P-C4'-P energy: -2.334
tors. eta vs tors. theta energy: -3.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -25.003383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.003383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.003383 (E_RNA)
where:
Base-Base interactions energy: -8.079
where: short stacking energy: -8.079
Base-Backbone interact. energy: -0.040
local terms energy: -16.884859
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -4.628
flat angles P-C4'-P energy: -2.217
tors. eta vs tors. theta energy: -0.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -35.759048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.759048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.759048 (E_RNA)
where:
Base-Base interactions energy: -15.953
where: short stacking energy: -15.953
Base-Backbone interact. energy: -0.000
local terms energy: -19.805991
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -3.582
flat angles C4'-P-C4' energy: -4.259
flat angles P-C4'-P energy: -3.216
tors. eta vs tors. theta energy: -4.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -35.793267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.793267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.793267 (E_RNA)
where:
Base-Base interactions energy: -17.919
where: short stacking energy: -10.773
Base-Backbone interact. energy: -0.004
local terms energy: -17.869785
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -3.818
flat angles C4'-P-C4' energy: -4.143
flat angles P-C4'-P energy: -3.709
tors. eta vs tors. theta energy: -1.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -39.029723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.029723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.029723 (E_RNA)
where:
Base-Base interactions energy: -16.991
where: short stacking energy: -16.991
Base-Backbone interact. energy: -0.000
local terms energy: -22.039021
where:
bonds (distance) C4'-P energy: -3.699
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -4.840
flat angles P-C4'-P energy: -3.376
tors. eta vs tors. theta energy: -4.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -26.371038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.371038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.371038 (E_RNA)
where:
Base-Base interactions energy: -11.805
where: short stacking energy: -8.076
Base-Backbone interact. energy: -0.000
local terms energy: -14.566176
where:
bonds (distance) C4'-P energy: -3.256
bonds (distance) P-C4' energy: -3.815
flat angles C4'-P-C4' energy: -3.690
flat angles P-C4'-P energy: -3.796
tors. eta vs tors. theta energy: -0.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -34.379888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.379888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.379888 (E_RNA)
where:
Base-Base interactions energy: -17.083
where: short stacking energy: -12.604
Base-Backbone interact. energy: -0.001
local terms energy: -17.296556
where:
bonds (distance) C4'-P energy: -3.541
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.955
flat angles P-C4'-P energy: -3.308
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: 6, replica: 2
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -28.059092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.059092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.059092 (E_RNA)
where:
Base-Base interactions energy: -12.500
where: short stacking energy: -12.500
Base-Backbone interact. energy: -0.000
local terms energy: -15.559403
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -4.406
flat angles C4'-P-C4' energy: -2.231
flat angles P-C4'-P energy: -2.952
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: 7, replica: 1
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -28.759415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.759415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.759415 (E_RNA)
where:
Base-Base interactions energy: -13.939
where: short stacking energy: -13.939
Base-Backbone interact. energy: -0.000
local terms energy: -14.820017
where:
bonds (distance) C4'-P energy: -2.892
bonds (distance) P-C4' energy: -3.748
flat angles C4'-P-C4' energy: -3.608
flat angles P-C4'-P energy: -3.015
tors. eta vs tors. theta energy: -1.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -24.572892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.572892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.572892 (E_RNA)
where:
Base-Base interactions energy: -6.269
where: short stacking energy: -6.269
Base-Backbone interact. energy: -0.000
local terms energy: -18.303712
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -3.609
flat angles P-C4'-P energy: -2.297
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: 9, replica: 6
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -23.265331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.265331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.265331 (E_RNA)
where:
Base-Base interactions energy: -9.610
where: short stacking energy: -9.610
Base-Backbone interact. energy: -0.034
local terms energy: -13.621696
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -0.230
flat angles P-C4'-P energy: -3.652
tors. eta vs tors. theta energy: -0.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -23.984503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.984503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.984503 (E_RNA)
where:
Base-Base interactions energy: -11.258
where: short stacking energy: -11.258
Base-Backbone interact. energy: -0.000
local terms energy: -12.726110
where:
bonds (distance) C4'-P energy: -3.256
bonds (distance) P-C4' energy: -3.134
flat angles C4'-P-C4' energy: -3.142
flat angles P-C4'-P energy: -0.931
tors. eta vs tors. theta energy: -2.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -34.483612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.483612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.483612 (E_RNA)
where:
Base-Base interactions energy: -17.390
where: short stacking energy: -7.799
Base-Backbone interact. energy: -0.054
local terms energy: -17.039108
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -3.849
flat angles C4'-P-C4' energy: -4.611
flat angles P-C4'-P energy: -3.059
tors. eta vs tors. theta energy: -1.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -31.504389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.504389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.504389 (E_RNA)
where:
Base-Base interactions energy: -11.858
where: short stacking energy: -11.858
Base-Backbone interact. energy: -0.000
local terms energy: -19.646684
where:
bonds (distance) C4'-P energy: -4.634
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.520
flat angles P-C4'-P energy: -3.002
tors. eta vs tors. theta energy: -2.137
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: 8
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -34.626611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.626611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.626611 (E_RNA)
where:
Base-Base interactions energy: -13.357
where: short stacking energy: -13.357
Base-Backbone interact. energy: -0.000
local terms energy: -21.270080
where:
bonds (distance) C4'-P energy: -3.753
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.379
flat angles P-C4'-P energy: -3.998
tors. eta vs tors. theta energy: -4.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -28.356845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.356845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.356845 (E_RNA)
where:
Base-Base interactions energy: -10.568
where: short stacking energy: -7.615
Base-Backbone interact. energy: -0.000
local terms energy: -17.788732
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -4.111
flat angles P-C4'-P energy: -2.291
tors. eta vs tors. theta energy: -2.153
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: 2
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -25.382593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.382593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.382593 (E_RNA)
where:
Base-Base interactions energy: -9.203
where: short stacking energy: -9.203
Base-Backbone interact. energy: -0.000
local terms energy: -16.180025
where:
bonds (distance) C4'-P energy: -1.464
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.923
flat angles P-C4'-P energy: -2.863
tors. eta vs tors. theta energy: -2.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -32.077866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.077866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.077866 (E_RNA)
where:
Base-Base interactions energy: -14.462
where: short stacking energy: -14.462
Base-Backbone interact. energy: -0.000
local terms energy: -17.616269
where:
bonds (distance) C4'-P energy: -2.796
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -4.284
flat angles P-C4'-P energy: -1.554
tors. eta vs tors. theta energy: -4.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -32.656057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.656057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.656057 (E_RNA)
where:
Base-Base interactions energy: -13.934
where: short stacking energy: -13.934
Base-Backbone interact. energy: -0.000
local terms energy: -18.721893
where:
bonds (distance) C4'-P energy: -4.634
bonds (distance) P-C4' energy: -3.420
flat angles C4'-P-C4' energy: -3.061
flat angles P-C4'-P energy: -2.711
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: 8, replica: 1
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -24.548665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.548665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.548665 (E_RNA)
where:
Base-Base interactions energy: -8.887
where: short stacking energy: -4.703
Base-Backbone interact. energy: -0.092
local terms energy: -15.569689
where:
bonds (distance) C4'-P energy: -3.773
bonds (distance) P-C4' energy: -4.202
flat angles C4'-P-C4' energy: -4.084
flat angles P-C4'-P energy: -3.787
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: 9, replica: 10
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -26.558260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.558260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.558260 (E_RNA)
where:
Base-Base interactions energy: -9.007
where: short stacking energy: -9.007
Base-Backbone interact. energy: -0.000
local terms energy: -17.550948
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.472
flat angles P-C4'-P energy: -0.062
tors. eta vs tors. theta energy: -3.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -26.766608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.766608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.766608 (E_RNA)
where:
Base-Base interactions energy: -8.098
where: short stacking energy: -8.098
Base-Backbone interact. energy: -0.000
local terms energy: -18.668782
where:
bonds (distance) C4'-P energy: -3.923
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -3.866
flat angles P-C4'-P energy: -2.874
tors. eta vs tors. theta energy: -3.571
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: 7
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -38.782984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.782984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.782984 (E_RNA)
where:
Base-Base interactions energy: -21.814
where: short stacking energy: -12.264
Base-Backbone interact. energy: 1.389
local terms energy: -18.358418
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.195
flat angles P-C4'-P energy: -3.519
tors. eta vs tors. theta energy: -1.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -28.214617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.214617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.214617 (E_RNA)
where:
Base-Base interactions energy: -11.154
where: short stacking energy: -5.137
Base-Backbone interact. energy: -0.041
local terms energy: -17.019411
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -4.572
flat angles C4'-P-C4' energy: -3.592
flat angles P-C4'-P energy: -3.693
tors. eta vs tors. theta energy: -1.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -34.345536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.345536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.345536 (E_RNA)
where:
Base-Base interactions energy: -13.605
where: short stacking energy: -13.605
Base-Backbone interact. energy: -0.000
local terms energy: -20.740200
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -3.923
flat angles P-C4'-P energy: -2.618
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: 4, replica: 2
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -32.572330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.572330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.572330 (E_RNA)
where:
Base-Base interactions energy: -13.287
where: short stacking energy: -13.287
Base-Backbone interact. energy: -0.007
local terms energy: -19.277616
where:
bonds (distance) C4'-P energy: -4.332
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -4.647
flat angles P-C4'-P energy: -1.779
tors. eta vs tors. theta energy: -3.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -33.874850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.874850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.874850 (E_RNA)
where:
Base-Base interactions energy: -17.486
where: short stacking energy: -17.486
Base-Backbone interact. energy: -0.000
local terms energy: -16.388780
where:
bonds (distance) C4'-P energy: -3.673
bonds (distance) P-C4' energy: -1.265
flat angles C4'-P-C4' energy: -4.334
flat angles P-C4'-P energy: -1.670
tors. eta vs tors. theta energy: -5.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -27.123414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.123414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.123414 (E_RNA)
where:
Base-Base interactions energy: -8.823
where: short stacking energy: -8.823
Base-Backbone interact. energy: -0.000
local terms energy: -18.300691
where:
bonds (distance) C4'-P energy: -3.691
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.225
flat angles P-C4'-P energy: -3.995
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: 7, replica: 9
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -29.096279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.096279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.096279 (E_RNA)
where:
Base-Base interactions energy: -12.464
where: short stacking energy: -12.464
Base-Backbone interact. energy: -0.000
local terms energy: -16.632333
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -3.502
flat angles P-C4'-P energy: -3.594
tors. eta vs tors. theta energy: -1.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -30.844251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.844251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.844251 (E_RNA)
where:
Base-Base interactions energy: -13.415
where: short stacking energy: -13.415
Base-Backbone interact. energy: -0.000
local terms energy: -17.429004
where:
bonds (distance) C4'-P energy: -3.773
bonds (distance) P-C4' energy: -3.103
flat angles C4'-P-C4' energy: -4.061
flat angles P-C4'-P energy: -3.333
tors. eta vs tors. theta energy: -3.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -26.152548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.152548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.152548 (E_RNA)
where:
Base-Base interactions energy: -10.951
where: short stacking energy: -10.951
Base-Backbone interact. energy: -0.007
local terms energy: -15.194874
where:
bonds (distance) C4'-P energy: -2.101
bonds (distance) P-C4' energy: -4.674
flat angles C4'-P-C4' energy: -2.893
flat angles P-C4'-P energy: -2.551
tors. eta vs tors. theta energy: -2.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -28.113816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.113816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.113816 (E_RNA)
where:
Base-Base interactions energy: -10.630
where: short stacking energy: -10.630
Base-Backbone interact. energy: -0.000
local terms energy: -17.484012
where:
bonds (distance) C4'-P energy: -2.962
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.513
flat angles P-C4'-P energy: -3.567
tors. eta vs tors. theta energy: -2.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -34.593855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.593855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.593855 (E_RNA)
where:
Base-Base interactions energy: -16.630
where: short stacking energy: -16.630
Base-Backbone interact. energy: -0.000
local terms energy: -17.964265
where:
bonds (distance) C4'-P energy: -2.449
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.725
flat angles P-C4'-P energy: -3.005
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: 2, replica: 7
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -33.543326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.543326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.543326 (E_RNA)
where:
Base-Base interactions energy: -14.832
where: short stacking energy: -14.832
Base-Backbone interact. energy: -0.000
local terms energy: -18.711309
where:
bonds (distance) C4'-P energy: -2.954
bonds (distance) P-C4' energy: -3.811
flat angles C4'-P-C4' energy: -4.333
flat angles P-C4'-P energy: -4.192
tors. eta vs tors. theta energy: -3.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -30.806085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.806085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.806085 (E_RNA)
where:
Base-Base interactions energy: -11.181
where: short stacking energy: -11.181
Base-Backbone interact. energy: -0.000
local terms energy: -19.625368
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.589
flat angles P-C4'-P energy: -3.843
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: 4, replica: 3
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -28.386516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.386516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.386516 (E_RNA)
where:
Base-Base interactions energy: -9.377
where: short stacking energy: -9.377
Base-Backbone interact. energy: -0.000
local terms energy: -19.009069
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.004
flat angles P-C4'-P energy: -2.911
tors. eta vs tors. theta energy: -2.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -28.998165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.998165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.998165 (E_RNA)
where:
Base-Base interactions energy: -11.465
where: short stacking energy: -11.465
Base-Backbone interact. energy: -0.000
local terms energy: -17.533497
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.202
flat angles C4'-P-C4' energy: -4.123
flat angles P-C4'-P energy: -3.127
tors. eta vs tors. theta energy: -1.981
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: 4
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -26.567153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.567153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.567153 (E_RNA)
where:
Base-Base interactions energy: -9.916
where: short stacking energy: -9.916
Base-Backbone interact. energy: -0.000
local terms energy: -16.651366
where:
bonds (distance) C4'-P energy: -3.301
bonds (distance) P-C4' energy: -3.824
flat angles C4'-P-C4' energy: -3.962
flat angles P-C4'-P energy: -3.575
tors. eta vs tors. theta energy: -1.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -24.398503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.398503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.398503 (E_RNA)
where:
Base-Base interactions energy: -8.905
where: short stacking energy: -8.905
Base-Backbone interact. energy: -0.000
local terms energy: -15.493222
where:
bonds (distance) C4'-P energy: -4.171
bonds (distance) P-C4' energy: -3.100
flat angles C4'-P-C4' energy: -2.932
flat angles P-C4'-P energy: -2.071
tors. eta vs tors. theta energy: -3.219
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: 232
Temperature: 1.250000
Total energy: -25.838654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.838654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.838654 (E_RNA)
where:
Base-Base interactions energy: -8.890
where: short stacking energy: -8.890
Base-Backbone interact. energy: -0.008
local terms energy: -16.940671
where:
bonds (distance) C4'-P energy: -4.634
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.398
flat angles P-C4'-P energy: -1.413
tors. eta vs tors. theta energy: -1.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -22.672297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.672297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.672297 (E_RNA)
where:
Base-Base interactions energy: -8.783
where: short stacking energy: -8.783
Base-Backbone interact. energy: -0.000
local terms energy: -13.889436
where:
bonds (distance) C4'-P energy: -2.928
bonds (distance) P-C4' energy: -3.748
flat angles C4'-P-C4' energy: -3.651
flat angles P-C4'-P energy: -2.445
tors. eta vs tors. theta energy: -1.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -23.757965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.757965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.757965 (E_RNA)
where:
Base-Base interactions energy: -10.851
where: short stacking energy: -6.305
Base-Backbone interact. energy: -0.160
local terms energy: -12.746700
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -0.727
flat angles C4'-P-C4' energy: -4.422
flat angles P-C4'-P energy: -2.822
tors. eta vs tors. theta energy: -1.120
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: 1, replica: 8
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -40.407796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.407796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.407796 (E_RNA)
where:
Base-Base interactions energy: -17.614
where: short stacking energy: -17.614
Base-Backbone interact. energy: -0.000
local terms energy: -22.793366
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -4.867
flat angles C4'-P-C4' energy: -4.525
flat angles P-C4'-P energy: -3.330
tors. eta vs tors. theta energy: -5.445
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: 2
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -34.814684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.814684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.814684 (E_RNA)
where:
Base-Base interactions energy: -17.111
where: short stacking energy: -17.111
Base-Backbone interact. energy: -0.000
local terms energy: -17.703448
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -2.928
flat angles P-C4'-P energy: -2.885
tors. eta vs tors. theta energy: -2.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -30.551168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.551168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.551168 (E_RNA)
where:
Base-Base interactions energy: -12.950
where: short stacking energy: -12.950
Base-Backbone interact. energy: -0.000
local terms energy: -17.601096
where:
bonds (distance) C4'-P energy: -3.256
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -3.976
flat angles P-C4'-P energy: -2.955
tors. eta vs tors. theta energy: -2.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -37.758406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.758406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.758406 (E_RNA)
where:
Base-Base interactions energy: -17.804
where: short stacking energy: -17.804
Base-Backbone interact. energy: -0.000
local terms energy: -19.954847
where:
bonds (distance) C4'-P energy: -2.672
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.445
flat angles P-C4'-P energy: -4.062
tors. eta vs tors. theta energy: -3.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -26.387032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.387032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.387032 (E_RNA)
where:
Base-Base interactions energy: -10.276
where: short stacking energy: -10.276
Base-Backbone interact. energy: -0.005
local terms energy: -16.105819
where:
bonds (distance) C4'-P energy: -3.256
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -2.682
flat angles P-C4'-P energy: -3.732
tors. eta vs tors. theta energy: -1.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -29.288559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.288559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.288559 (E_RNA)
where:
Base-Base interactions energy: -12.686
where: short stacking energy: -12.686
Base-Backbone interact. energy: -0.000
local terms energy: -16.602792
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -3.726
flat angles C4'-P-C4' energy: -3.241
flat angles P-C4'-P energy: -1.166
tors. eta vs tors. theta energy: -4.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -29.765500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.765500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.765500 (E_RNA)
where:
Base-Base interactions energy: -11.785
where: short stacking energy: -11.785
Base-Backbone interact. energy: -0.000
local terms energy: -17.980065
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.070
flat angles P-C4'-P energy: -3.702
tors. eta vs tors. theta energy: -2.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -37.842367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.842367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.842367 (E_RNA)
where:
Base-Base interactions energy: -17.174
where: short stacking energy: -17.174
Base-Backbone interact. energy: -0.000
local terms energy: -20.668178
where:
bonds (distance) C4'-P energy: -2.867
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -4.363
flat angles P-C4'-P energy: -3.414
tors. eta vs tors. theta energy: -5.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -24.543516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.543516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.543516 (E_RNA)
where:
Base-Base interactions energy: -6.758
where: short stacking energy: -6.758
Base-Backbone interact. energy: -0.509
local terms energy: -17.276175
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.514
flat angles P-C4'-P energy: -3.835
tors. eta vs tors. theta energy: 0.059
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: 10, replica: 1
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -23.122156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.122156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.122156 (E_RNA)
where:
Base-Base interactions energy: -7.863
where: short stacking energy: -7.863
Base-Backbone interact. energy: -0.000
local terms energy: -15.259550
where:
bonds (distance) C4'-P energy: -3.823
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -3.769
flat angles P-C4'-P energy: -1.293
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: 234
Temperature: 0.900000
Total energy: -38.424978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.424978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.424978 (E_RNA)
where:
Base-Base interactions energy: -17.394
where: short stacking energy: -17.394
Base-Backbone interact. energy: -0.000
local terms energy: -21.031169
where:
bonds (distance) C4'-P energy: -3.220
bonds (distance) P-C4' energy: -4.631
flat angles C4'-P-C4' energy: -4.746
flat angles P-C4'-P energy: -2.884
tors. eta vs tors. theta energy: -5.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -35.419635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.419635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.419635 (E_RNA)
where:
Base-Base interactions energy: -14.428
where: short stacking energy: -14.428
Base-Backbone interact. energy: -0.000
local terms energy: -20.991425
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -4.055
flat angles P-C4'-P energy: -2.950
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: 3, replica: 5
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -33.946591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.946591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.946591 (E_RNA)
where:
Base-Base interactions energy: -15.548
where: short stacking energy: -15.548
Base-Backbone interact. energy: -0.000
local terms energy: -18.398906
where:
bonds (distance) C4'-P energy: -3.314
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.536
flat angles P-C4'-P energy: -1.740
tors. eta vs tors. theta energy: -5.141
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: 7
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -33.823806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.823806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.823806 (E_RNA)
where:
Base-Base interactions energy: -12.118
where: short stacking energy: -12.118
Base-Backbone interact. energy: -0.000
local terms energy: -21.705550
where:
bonds (distance) C4'-P energy: -3.939
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.591
flat angles P-C4'-P energy: -3.030
tors. eta vs tors. theta energy: -5.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -33.662647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.662647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.662647 (E_RNA)
where:
Base-Base interactions energy: -11.840
where: short stacking energy: -11.840
Base-Backbone interact. energy: -0.000
local terms energy: -21.822648
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -4.203
flat angles P-C4'-P energy: -3.209
tors. eta vs tors. theta energy: -5.033
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: 3
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -33.332003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.332003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.332003 (E_RNA)
where:
Base-Base interactions energy: -17.390
where: short stacking energy: -17.390
Base-Backbone interact. energy: -0.000
local terms energy: -15.942322
where:
bonds (distance) C4'-P energy: -2.804
bonds (distance) P-C4' energy: -3.110
flat angles C4'-P-C4' energy: -1.451
flat angles P-C4'-P energy: -3.338
tors. eta vs tors. theta energy: -5.239
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: 7, replica: 6
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -30.483136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.483136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.483136 (E_RNA)
where:
Base-Base interactions energy: -14.937
where: short stacking energy: -7.845
Base-Backbone interact. energy: -0.000
local terms energy: -15.545919
where:
bonds (distance) C4'-P energy: -4.154
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -2.705
flat angles P-C4'-P energy: -2.470
tors. eta vs tors. theta energy: -1.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -26.890697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.890697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.890697 (E_RNA)
where:
Base-Base interactions energy: -10.746
where: short stacking energy: -10.746
Base-Backbone interact. energy: -0.000
local terms energy: -16.144501
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -2.395
flat angles C4'-P-C4' energy: -4.471
flat angles P-C4'-P energy: -2.237
tors. eta vs tors. theta energy: -2.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -23.980214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.980214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.980214 (E_RNA)
where:
Base-Base interactions energy: -8.517
where: short stacking energy: -8.517
Base-Backbone interact. energy: -0.108
local terms energy: -15.354763
where:
bonds (distance) C4'-P energy: -3.330
bonds (distance) P-C4' energy: -3.352
flat angles C4'-P-C4' energy: -4.151
flat angles P-C4'-P energy: -3.575
tors. eta vs tors. theta energy: -0.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -24.378382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.378382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.378382 (E_RNA)
where:
Base-Base interactions energy: -12.397
where: short stacking energy: -12.397
Base-Backbone interact. energy: -0.000
local terms energy: -11.981591
where:
bonds (distance) C4'-P energy: -0.068
bonds (distance) P-C4' energy: -3.103
flat angles C4'-P-C4' energy: -3.569
flat angles P-C4'-P energy: -2.671
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: 1, replica: 2
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -31.657602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.657602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.657602 (E_RNA)
where:
Base-Base interactions energy: -11.928
where: short stacking energy: -11.928
Base-Backbone interact. energy: -0.000
local terms energy: -19.729887
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -4.520
flat angles P-C4'-P energy: -3.907
tors. eta vs tors. theta energy: -1.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -35.936783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.936783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.936783 (E_RNA)
where:
Base-Base interactions energy: -17.003
where: short stacking energy: -17.003
Base-Backbone interact. energy: -0.000
local terms energy: -18.934230
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -4.151
flat angles P-C4'-P energy: -1.719
tors. eta vs tors. theta energy: -3.772
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: 3, replica: 5
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -31.637310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.637310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.637310 (E_RNA)
where:
Base-Base interactions energy: -14.276
where: short stacking energy: -14.276
Base-Backbone interact. energy: -0.000
local terms energy: -17.361680
where:
bonds (distance) C4'-P energy: -4.154
bonds (distance) P-C4' energy: -3.656
flat angles C4'-P-C4' energy: -4.554
flat angles P-C4'-P energy: -2.463
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: 4, replica: 10
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -31.686276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.686276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.686276 (E_RNA)
where:
Base-Base interactions energy: -13.205
where: short stacking energy: -13.205
Base-Backbone interact. energy: -0.000
local terms energy: -18.481169
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.592
flat angles P-C4'-P energy: -2.259
tors. eta vs tors. theta energy: -2.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -27.875618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.875618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.875618 (E_RNA)
where:
Base-Base interactions energy: -13.649
where: short stacking energy: -9.701
Base-Backbone interact. energy: -0.108
local terms energy: -14.118683
where:
bonds (distance) C4'-P energy: -2.978
bonds (distance) P-C4' energy: -3.628
flat angles C4'-P-C4' energy: -3.585
flat angles P-C4'-P energy: -2.448
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: 6, replica: 6
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -26.381843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.381843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.381843 (E_RNA)
where:
Base-Base interactions energy: -8.956
where: short stacking energy: -8.956
Base-Backbone interact. energy: -0.080
local terms energy: -17.346201
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.993
flat angles P-C4'-P energy: -3.976
tors. eta vs tors. theta energy: -0.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -27.603992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.603992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.603992 (E_RNA)
where:
Base-Base interactions energy: -11.605
where: short stacking energy: -11.605
Base-Backbone interact. energy: -0.000
local terms energy: -15.998484
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -3.818
flat angles C4'-P-C4' energy: -3.303
flat angles P-C4'-P energy: -3.162
tors. eta vs tors. theta energy: -1.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -26.634038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.634038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.634038 (E_RNA)
where:
Base-Base interactions energy: -11.256
where: short stacking energy: -11.256
Base-Backbone interact. energy: -0.000
local terms energy: -15.377681
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.174
flat angles C4'-P-C4' energy: -2.462
flat angles P-C4'-P energy: -2.099
tors. eta vs tors. theta energy: -2.240
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: 4
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -22.837382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.837382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.837382 (E_RNA)
where:
Base-Base interactions energy: -7.307
where: short stacking energy: -7.307
Base-Backbone interact. energy: -0.000
local terms energy: -15.530580
where:
bonds (distance) C4'-P energy: -3.583
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.843
flat angles P-C4'-P energy: -2.059
tors. eta vs tors. theta energy: -0.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -22.078490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.078490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.078490 (E_RNA)
where:
Base-Base interactions energy: -8.554
where: short stacking energy: -8.554
Base-Backbone interact. energy: -0.004
local terms energy: -13.521092
where:
bonds (distance) C4'-P energy: -1.223
bonds (distance) P-C4' energy: -4.177
flat angles C4'-P-C4' energy: -4.030
flat angles P-C4'-P energy: -2.413
tors. eta vs tors. theta energy: -1.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -33.475196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.475196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.475196 (E_RNA)
where:
Base-Base interactions energy: -13.009
where: short stacking energy: -13.009
Base-Backbone interact. energy: -0.007
local terms energy: -20.458968
where:
bonds (distance) C4'-P energy: -3.247
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -4.766
flat angles P-C4'-P energy: -3.108
tors. eta vs tors. theta energy: -3.980
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: 8
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -36.093688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.093688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.093688 (E_RNA)
where:
Base-Base interactions energy: -14.341
where: short stacking energy: -14.341
Base-Backbone interact. energy: -0.000
local terms energy: -21.752357
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -4.894
flat angles P-C4'-P energy: -3.814
tors. eta vs tors. theta energy: -3.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -26.567525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.567525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.567525 (E_RNA)
where:
Base-Base interactions energy: -8.490
where: short stacking energy: -8.490
Base-Backbone interact. energy: -0.094
local terms energy: -17.982906
where:
bonds (distance) C4'-P energy: -3.781
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -4.459
flat angles P-C4'-P energy: -3.700
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: 4, replica: 5
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -31.035612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.035612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.035612 (E_RNA)
where:
Base-Base interactions energy: -14.344
where: short stacking energy: -14.344
Base-Backbone interact. energy: -0.000
local terms energy: -16.691716
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -4.054
flat angles C4'-P-C4' energy: -3.907
flat angles P-C4'-P energy: -3.318
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: 5, replica: 6
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -30.050904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.050904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.050904 (E_RNA)
where:
Base-Base interactions energy: -11.831
where: short stacking energy: -11.831
Base-Backbone interact. energy: -0.000
local terms energy: -18.220182
where:
bonds (distance) C4'-P energy: -4.279
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -3.064
flat angles P-C4'-P energy: -1.180
tors. eta vs tors. theta energy: -4.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -31.948346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.948346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.948346 (E_RNA)
where:
Base-Base interactions energy: -13.737
where: short stacking energy: -13.737
Base-Backbone interact. energy: -0.000
local terms energy: -18.211340
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -3.246
flat angles P-C4'-P energy: -2.469
tors. eta vs tors. theta energy: -3.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -30.270089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.270089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.270089 (E_RNA)
where:
Base-Base interactions energy: -13.572
where: short stacking energy: -13.572
Base-Backbone interact. energy: -0.000
local terms energy: -16.698138
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -4.603
flat angles C4'-P-C4' energy: -4.055
flat angles P-C4'-P energy: -0.327
tors. eta vs tors. theta energy: -3.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -30.877136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.877136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.877136 (E_RNA)
where:
Base-Base interactions energy: -12.543
where: short stacking energy: -12.543
Base-Backbone interact. energy: -0.000
local terms energy: -18.333865
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -2.501
flat angles P-C4'-P energy: -3.224
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: 9, replica: 9
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -27.449204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.449204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.449204 (E_RNA)
where:
Base-Base interactions energy: -9.317
where: short stacking energy: -9.317
Base-Backbone interact. energy: -0.000
local terms energy: -18.132639
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -3.606
flat angles P-C4'-P energy: -3.481
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: 10, replica: 4
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -24.949759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.949759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.949759 (E_RNA)
where:
Base-Base interactions energy: -8.781
where: short stacking energy: -8.781
Base-Backbone interact. energy: -0.000
local terms energy: -16.168441
where:
bonds (distance) C4'-P energy: -2.805
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -3.444
flat angles P-C4'-P energy: -2.977
tors. eta vs tors. theta energy: -2.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -37.810875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.810875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.810875 (E_RNA)
where:
Base-Base interactions energy: -17.287
where: short stacking energy: -17.287
Base-Backbone interact. energy: -0.000
local terms energy: -20.523943
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.361
flat angles C4'-P-C4' energy: -4.040
flat angles P-C4'-P energy: -2.850
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: 2, replica: 10
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -32.260397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.260397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.260397 (E_RNA)
where:
Base-Base interactions energy: -13.366
where: short stacking energy: -13.366
Base-Backbone interact. energy: -0.000
local terms energy: -18.894080
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -3.656
flat angles C4'-P-C4' energy: -4.433
flat angles P-C4'-P energy: -3.556
tors. eta vs tors. theta energy: -3.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -35.960102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.960102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.960102 (E_RNA)
where:
Base-Base interactions energy: -15.035
where: short stacking energy: -15.035
Base-Backbone interact. energy: -0.000
local terms energy: -20.925504
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.765
flat angles P-C4'-P energy: -3.207
tors. eta vs tors. theta energy: -4.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -34.799757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.799757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.799757 (E_RNA)
where:
Base-Base interactions energy: -15.172
where: short stacking energy: -15.172
Base-Backbone interact. energy: -0.000
local terms energy: -19.627389
where:
bonds (distance) C4'-P energy: -3.745
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.835
flat angles P-C4'-P energy: -1.631
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: 5, replica: 5
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -31.161269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.161269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.161269 (E_RNA)
where:
Base-Base interactions energy: -12.963
where: short stacking energy: -12.963
Base-Backbone interact. energy: -0.000
local terms energy: -18.198223
where:
bonds (distance) C4'-P energy: -3.773
bonds (distance) P-C4' energy: -4.202
flat angles C4'-P-C4' energy: -3.866
flat angles P-C4'-P energy: -2.657
tors. eta vs tors. theta energy: -3.701
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: 6, replica: 1
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -31.511752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.511752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.511752 (E_RNA)
where:
Base-Base interactions energy: -13.363
where: short stacking energy: -13.363
Base-Backbone interact. energy: -0.000
local terms energy: -18.148553
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -2.131
flat angles P-C4'-P energy: -3.107
tors. eta vs tors. theta energy: -3.398
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: 7, replica: 7
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -25.275699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.275699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.275699 (E_RNA)
where:
Base-Base interactions energy: -11.552
where: short stacking energy: -4.312
Base-Backbone interact. energy: -0.396
local terms energy: -13.327928
where:
bonds (distance) C4'-P energy: -2.672
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -3.280
flat angles P-C4'-P energy: -2.141
tors. eta vs tors. theta energy: 0.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -30.369876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.369876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.369876 (E_RNA)
where:
Base-Base interactions energy: -10.110
where: short stacking energy: -10.110
Base-Backbone interact. energy: -0.000
local terms energy: -20.259581
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -4.038
flat angles P-C4'-P energy: -2.625
tors. eta vs tors. theta energy: -3.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -25.038621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.038621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.038621 (E_RNA)
where:
Base-Base interactions energy: -8.298
where: short stacking energy: -8.298
Base-Backbone interact. energy: -0.000
local terms energy: -16.740632
where:
bonds (distance) C4'-P energy: -2.797
bonds (distance) P-C4' energy: -4.572
flat angles C4'-P-C4' energy: -2.856
flat angles P-C4'-P energy: -3.087
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: 10, replica: 4
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -24.361435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.361435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.361435 (E_RNA)
where:
Base-Base interactions energy: -7.322
where: short stacking energy: -7.322
Base-Backbone interact. energy: -0.000
local terms energy: -17.039015
where:
bonds (distance) C4'-P energy: -2.680
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -3.864
flat angles P-C4'-P energy: -2.759
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: 1, replica: 10
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -35.225181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.225181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.225181 (E_RNA)
where:
Base-Base interactions energy: -14.081
where: short stacking energy: -14.081
Base-Backbone interact. energy: -0.000
local terms energy: -21.144590
where:
bonds (distance) C4'-P energy: -3.045
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.510
flat angles P-C4'-P energy: -3.077
tors. eta vs tors. theta energy: -5.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -34.758114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.758114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.758114 (E_RNA)
where:
Base-Base interactions energy: -19.496
where: short stacking energy: -10.053
Base-Backbone interact. energy: -0.001
local terms energy: -15.261347
where:
bonds (distance) C4'-P energy: -2.796
bonds (distance) P-C4' energy: -4.579
flat angles C4'-P-C4' energy: -4.034
flat angles P-C4'-P energy: -2.211
tors. eta vs tors. theta energy: -1.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -40.732140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.732140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.732140 (E_RNA)
where:
Base-Base interactions energy: -16.927
where: short stacking energy: -16.927
Base-Backbone interact. energy: -0.000
local terms energy: -23.804836
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -4.924
flat angles P-C4'-P energy: -3.920
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: 4, replica: 8
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -32.083741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.083741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.083741 (E_RNA)
where:
Base-Base interactions energy: -16.145
where: short stacking energy: -16.145
Base-Backbone interact. energy: -0.000
local terms energy: -15.938363
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -2.870
flat angles C4'-P-C4' energy: -2.783
flat angles P-C4'-P energy: -2.274
tors. eta vs tors. theta energy: -4.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -32.642809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.642809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.642809 (E_RNA)
where:
Base-Base interactions energy: -13.710
where: short stacking energy: -13.710
Base-Backbone interact. energy: -0.000
local terms energy: -18.932869
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -4.410
flat angles C4'-P-C4' energy: -4.376
flat angles P-C4'-P energy: -2.796
tors. eta vs tors. theta energy: -3.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -28.590142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.590142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.590142 (E_RNA)
where:
Base-Base interactions energy: -10.876
where: short stacking energy: -10.876
Base-Backbone interact. energy: -0.000
local terms energy: -17.713809
where:
bonds (distance) C4'-P energy: -1.516
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.398
flat angles P-C4'-P energy: -3.674
tors. eta vs tors. theta energy: -2.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -24.559622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.559622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.559622 (E_RNA)
where:
Base-Base interactions energy: -7.370
where: short stacking energy: -7.370
Base-Backbone interact. energy: -0.000
local terms energy: -17.189597
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.148
flat angles P-C4'-P energy: 0.312
tors. eta vs tors. theta energy: -4.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -26.089601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.089601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.089601 (E_RNA)
where:
Base-Base interactions energy: -7.906
where: short stacking energy: -7.906
Base-Backbone interact. energy: -0.000
local terms energy: -18.183699
where:
bonds (distance) C4'-P energy: -3.036
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -4.079
flat angles P-C4'-P energy: -2.979
tors. eta vs tors. theta energy: -3.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -26.326582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.326582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.326582 (E_RNA)
where:
Base-Base interactions energy: -10.069
where: short stacking energy: -10.069
Base-Backbone interact. energy: -0.000
local terms energy: -16.257966
where:
bonds (distance) C4'-P energy: -2.928
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.242
flat angles P-C4'-P energy: -3.294
tors. eta vs tors. theta energy: -1.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -26.702211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.702211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.702211 (E_RNA)
where:
Base-Base interactions energy: -7.761
where: short stacking energy: -7.761
Base-Backbone interact. energy: -0.000
local terms energy: -18.941231
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -4.471
flat angles P-C4'-P energy: -3.674
tors. eta vs tors. theta energy: -1.615
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: 10
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -38.418773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.418773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.418773 (E_RNA)
where:
Base-Base interactions energy: -17.846
where: short stacking energy: -17.846
Base-Backbone interact. energy: -0.000
local terms energy: -20.572403
where:
bonds (distance) C4'-P energy: -3.708
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -4.162
flat angles P-C4'-P energy: -2.959
tors. eta vs tors. theta energy: -4.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -35.624285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.624285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.624285 (E_RNA)
where:
Base-Base interactions energy: -14.844
where: short stacking energy: -14.844
Base-Backbone interact. energy: -0.000
local terms energy: -20.780383
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -3.794
flat angles P-C4'-P energy: -2.790
tors. eta vs tors. theta energy: -5.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -38.479521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.479521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.479521 (E_RNA)
where:
Base-Base interactions energy: -17.185
where: short stacking energy: -17.185
Base-Backbone interact. energy: -0.000
local terms energy: -21.294552
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.174
flat angles C4'-P-C4' energy: -4.466
flat angles P-C4'-P energy: -3.399
tors. eta vs tors. theta energy: -5.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -27.331887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.331887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.331887 (E_RNA)
where:
Base-Base interactions energy: -12.348
where: short stacking energy: -4.695
Base-Backbone interact. energy: -0.027
local terms energy: -14.956693
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -2.612
flat angles C4'-P-C4' energy: -3.813
flat angles P-C4'-P energy: -2.920
tors. eta vs tors. theta energy: -0.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -31.013633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.013633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.013633 (E_RNA)
where:
Base-Base interactions energy: -11.611
where: short stacking energy: -11.611
Base-Backbone interact. energy: -0.000
local terms energy: -19.402962
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -3.815
flat angles C4'-P-C4' energy: -3.232
flat angles P-C4'-P energy: -3.643
tors. eta vs tors. theta energy: -5.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -27.467109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.467109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.467109 (E_RNA)
where:
Base-Base interactions energy: -15.688
where: short stacking energy: -8.104
Base-Backbone interact. energy: -0.084
local terms energy: -11.694827
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -2.391
flat angles C4'-P-C4' energy: -4.521
flat angles P-C4'-P energy: -1.420
tors. eta vs tors. theta energy: 0.854
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: 7, replica: 5
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -33.775347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.775347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.775347 (E_RNA)
where:
Base-Base interactions energy: -15.106
where: short stacking energy: -15.106
Base-Backbone interact. energy: -0.000
local terms energy: -18.668887
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.406
flat angles C4'-P-C4' energy: -4.220
flat angles P-C4'-P energy: -2.035
tors. eta vs tors. theta energy: -3.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -29.254926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.254926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.254926 (E_RNA)
where:
Base-Base interactions energy: -12.696
where: short stacking energy: -12.696
Base-Backbone interact. energy: -0.000
local terms energy: -16.558634
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -2.247
flat angles P-C4'-P energy: -2.456
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: 9, replica: 4
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -20.125056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.125056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.125056 (E_RNA)
where:
Base-Base interactions energy: -3.881
where: short stacking energy: -3.881
Base-Backbone interact. energy: -0.000
local terms energy: -16.243625
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -3.782
flat angles P-C4'-P energy: -3.939
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: 10, replica: 3
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -27.581442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.581442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.581442 (E_RNA)
where:
Base-Base interactions energy: -13.041
where: short stacking energy: -13.041
Base-Backbone interact. energy: -0.010
local terms energy: -14.529862
where:
bonds (distance) C4'-P energy: -2.307
bonds (distance) P-C4' energy: -4.047
flat angles C4'-P-C4' energy: -4.079
flat angles P-C4'-P energy: -2.271
tors. eta vs tors. theta energy: -1.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -39.263461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.263461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.263461 (E_RNA)
where:
Base-Base interactions energy: -17.962
where: short stacking energy: -17.962
Base-Backbone interact. energy: -0.000
local terms energy: -21.301739
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -3.895
flat angles C4'-P-C4' energy: -4.398
flat angles P-C4'-P energy: -3.461
tors. eta vs tors. theta energy: -5.029
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: 6
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -36.945504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.945504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.945504 (E_RNA)
where:
Base-Base interactions energy: -17.324
where: short stacking energy: -17.324
Base-Backbone interact. energy: -0.000
local terms energy: -19.621850
where:
bonds (distance) C4'-P energy: -3.592
bonds (distance) P-C4' energy: -4.410
flat angles C4'-P-C4' energy: -4.413
flat angles P-C4'-P energy: -2.399
tors. eta vs tors. theta energy: -4.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -36.700475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.700475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.700475 (E_RNA)
where:
Base-Base interactions energy: -17.249
where: short stacking energy: -17.249
Base-Backbone interact. energy: -0.000
local terms energy: -19.451661
where:
bonds (distance) C4'-P energy: -4.055
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -4.659
flat angles P-C4'-P energy: -2.309
tors. eta vs tors. theta energy: -3.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -33.562729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.562729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.562729 (E_RNA)
where:
Base-Base interactions energy: -15.954
where: short stacking energy: -15.954
Base-Backbone interact. energy: -0.000
local terms energy: -17.609173
where:
bonds (distance) C4'-P energy: -1.487
bonds (distance) P-C4' energy: -4.410
flat angles C4'-P-C4' energy: -4.097
flat angles P-C4'-P energy: -3.806
tors. eta vs tors. theta energy: -3.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -26.011542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.011542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.011542 (E_RNA)
where:
Base-Base interactions energy: -10.539
where: short stacking energy: -10.539
Base-Backbone interact. energy: -0.000
local terms energy: -15.472482
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -3.587
flat angles P-C4'-P energy: -2.604
tors. eta vs tors. theta energy: -0.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -29.827886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.827886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.827886 (E_RNA)
where:
Base-Base interactions energy: -13.035
where: short stacking energy: -13.035
Base-Backbone interact. energy: -0.000
local terms energy: -16.792433
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -3.726
flat angles C4'-P-C4' energy: -3.811
flat angles P-C4'-P energy: -2.589
tors. eta vs tors. theta energy: -2.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -36.316094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.316094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.316094 (E_RNA)
where:
Base-Base interactions energy: -16.977
where: short stacking energy: -16.977
Base-Backbone interact. energy: -0.000
local terms energy: -19.339511
where:
bonds (distance) C4'-P energy: -3.450
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.215
flat angles P-C4'-P energy: -3.434
tors. eta vs tors. theta energy: -3.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -22.427840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.427840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.427840 (E_RNA)
where:
Base-Base interactions energy: -5.447
where: short stacking energy: -5.447
Base-Backbone interact. energy: -0.000
local terms energy: -16.980806
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -3.513
flat angles P-C4'-P energy: -3.024
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: 9, replica: 3
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -22.962902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.962902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.962902 (E_RNA)
where:
Base-Base interactions energy: -9.551
where: short stacking energy: -9.551
Base-Backbone interact. energy: -0.000
local terms energy: -13.411114
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -1.983
flat angles P-C4'-P energy: -3.382
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: 4
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -25.278812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.278812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.278812 (E_RNA)
where:
Base-Base interactions energy: -5.582
where: short stacking energy: -5.582
Base-Backbone interact. energy: -0.004
local terms energy: -19.692490
where:
bonds (distance) C4'-P energy: -3.773
bonds (distance) P-C4' energy: -4.395
flat angles C4'-P-C4' energy: -4.261
flat angles P-C4'-P energy: -3.434
tors. eta vs tors. theta energy: -3.830
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: 1, replica: 10
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -38.394355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.394355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.394355 (E_RNA)
where:
Base-Base interactions energy: -17.491
where: short stacking energy: -17.491
Base-Backbone interact. energy: -0.000
local terms energy: -20.903138
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.256
flat angles P-C4'-P energy: -2.733
tors. eta vs tors. theta energy: -5.014
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: 2, replica: 6
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -36.929183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.929183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.929183 (E_RNA)
where:
Base-Base interactions energy: -17.034
where: short stacking energy: -17.034
Base-Backbone interact. energy: -0.000
local terms energy: -19.895516
where:
bonds (distance) C4'-P energy: -4.038
bonds (distance) P-C4' energy: -3.100
flat angles C4'-P-C4' energy: -3.919
flat angles P-C4'-P energy: -3.509
tors. eta vs tors. theta energy: -5.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -29.840783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.840783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.840783 (E_RNA)
where:
Base-Base interactions energy: -11.880
where: short stacking energy: -11.880
Base-Backbone interact. energy: -0.000
local terms energy: -17.960854
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.571
flat angles P-C4'-P energy: -3.484
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: 4, replica: 9
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -29.784332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.784332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.784332 (E_RNA)
where:
Base-Base interactions energy: -12.629
where: short stacking energy: -12.629
Base-Backbone interact. energy: -0.000
local terms energy: -17.155296
where:
bonds (distance) C4'-P energy: -2.796
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -4.339
flat angles P-C4'-P energy: -2.774
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: 5, replica: 2
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -33.034966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.034966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.034966 (E_RNA)
where:
Base-Base interactions energy: -12.810
where: short stacking energy: -12.810
Base-Backbone interact. energy: -0.000
local terms energy: -20.225107
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.852
flat angles P-C4'-P energy: -3.709
tors. eta vs tors. theta energy: -3.652
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: 7
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -30.441104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.441104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.441104 (E_RNA)
where:
Base-Base interactions energy: -12.829
where: short stacking energy: -12.829
Base-Backbone interact. energy: -0.000
local terms energy: -17.612279
where:
bonds (distance) C4'-P energy: -4.163
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -2.900
flat angles P-C4'-P energy: -2.612
tors. eta vs tors. theta energy: -3.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -36.035402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.035402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.035402 (E_RNA)
where:
Base-Base interactions energy: -16.443
where: short stacking energy: -16.443
Base-Backbone interact. energy: -0.000
local terms energy: -19.592003
where:
bonds (distance) C4'-P energy: -3.372
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.129
flat angles P-C4'-P energy: -1.437
tors. eta vs tors. theta energy: -5.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -30.449684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.449684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.449684 (E_RNA)
where:
Base-Base interactions energy: -10.855
where: short stacking energy: -10.855
Base-Backbone interact. energy: -0.000
local terms energy: -19.594516
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.235
flat angles P-C4'-P energy: -2.511
tors. eta vs tors. theta energy: -3.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -25.177704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.177704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.177704 (E_RNA)
where:
Base-Base interactions energy: -11.861
where: short stacking energy: -11.861
Base-Backbone interact. energy: -0.000
local terms energy: -13.316191
where:
bonds (distance) C4'-P energy: -2.511
bonds (distance) P-C4' energy: -3.889
flat angles C4'-P-C4' energy: -3.954
flat angles P-C4'-P energy: -0.924
tors. eta vs tors. theta energy: -2.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -32.918717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.918717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.918717 (E_RNA)
where:
Base-Base interactions energy: -14.525
where: short stacking energy: -14.525
Base-Backbone interact. energy: -0.000
local terms energy: -18.393961
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -5.361
flat angles C4'-P-C4' energy: -2.546
flat angles P-C4'-P energy: -2.449
tors. eta vs tors. theta energy: -3.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -31.505547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.505547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.505547 (E_RNA)
where:
Base-Base interactions energy: -13.409
where: short stacking energy: -13.409
Base-Backbone interact. energy: -0.052
local terms energy: -18.044633
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.924
flat angles P-C4'-P energy: -3.162
tors. eta vs tors. theta energy: -1.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -30.960724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.960724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.960724 (E_RNA)
where:
Base-Base interactions energy: -13.406
where: short stacking energy: -13.406
Base-Backbone interact. energy: -0.000
local terms energy: -17.554108
where:
bonds (distance) C4'-P energy: -3.281
bonds (distance) P-C4' energy: -4.631
flat angles C4'-P-C4' energy: -4.396
flat angles P-C4'-P energy: -2.707
tors. eta vs tors. theta energy: -2.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -24.446640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.446640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.446640 (E_RNA)
where:
Base-Base interactions energy: -7.368
where: short stacking energy: -7.368
Base-Backbone interact. energy: -0.095
local terms energy: -16.983395
where:
bonds (distance) C4'-P energy: -4.303
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.201
flat angles P-C4'-P energy: -3.034
tors. eta vs tors. theta energy: -0.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -35.384503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.384503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.384503 (E_RNA)
where:
Base-Base interactions energy: -16.057
where: short stacking energy: -16.057
Base-Backbone interact. energy: -0.000
local terms energy: -19.327020
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -3.367
flat angles C4'-P-C4' energy: -3.792
flat angles P-C4'-P energy: -2.389
tors. eta vs tors. theta energy: -5.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -31.457879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.457879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.457879 (E_RNA)
where:
Base-Base interactions energy: -10.658
where: short stacking energy: -10.658
Base-Backbone interact. energy: -0.000
local terms energy: -20.800150
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -4.329
flat angles P-C4'-P energy: -3.333
tors. eta vs tors. theta energy: -3.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -22.167539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.167539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.167539 (E_RNA)
where:
Base-Base interactions energy: -6.208
where: short stacking energy: -4.371
Base-Backbone interact. energy: -0.006
local terms energy: -15.953961
where:
bonds (distance) C4'-P energy: -3.541
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -2.665
flat angles P-C4'-P energy: -2.398
tors. eta vs tors. theta energy: -1.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -29.791250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.791250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.791250 (E_RNA)
where:
Base-Base interactions energy: -11.485
where: short stacking energy: -11.485
Base-Backbone interact. energy: -0.000
local terms energy: -18.305913
where:
bonds (distance) C4'-P energy: -3.699
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.502
flat angles P-C4'-P energy: -2.030
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: 8, replica: 8
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -22.407906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.407906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.407906 (E_RNA)
where:
Base-Base interactions energy: -8.666
where: short stacking energy: -8.666
Base-Backbone interact. energy: -0.001
local terms energy: -13.740945
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -1.971
flat angles P-C4'-P energy: -0.991
tors. eta vs tors. theta energy: -1.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -27.160538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.160538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.160538 (E_RNA)
where:
Base-Base interactions energy: -11.847
where: short stacking energy: -11.847
Base-Backbone interact. energy: -0.000
local terms energy: -15.313823
where:
bonds (distance) C4'-P energy: -2.920
bonds (distance) P-C4' energy: -4.106
flat angles C4'-P-C4' energy: -2.972
flat angles P-C4'-P energy: -1.917
tors. eta vs tors. theta energy: -3.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -22.810756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.810756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.810756 (E_RNA)
where:
Base-Base interactions energy: -7.609
where: short stacking energy: -5.327
Base-Backbone interact. energy: -0.024
local terms energy: -15.177742
where:
bonds (distance) C4'-P energy: -2.983
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -3.337
flat angles P-C4'-P energy: -2.018
tors. eta vs tors. theta energy: -2.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -34.722860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.722860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.722860 (E_RNA)
where:
Base-Base interactions energy: -13.387
where: short stacking energy: -13.387
Base-Backbone interact. energy: -0.000
local terms energy: -21.335350
where:
bonds (distance) C4'-P energy: -3.566
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.629
flat angles P-C4'-P energy: -3.356
tors. eta vs tors. theta energy: -4.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -31.113350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.113350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.113350 (E_RNA)
where:
Base-Base interactions energy: -12.683
where: short stacking energy: -12.683
Base-Backbone interact. energy: -0.000
local terms energy: -18.429984
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -3.819
flat angles P-C4'-P energy: -2.871
tors. eta vs tors. theta energy: -3.197
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: 6
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -37.497765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.497765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.497765 (E_RNA)
where:
Base-Base interactions energy: -16.803
where: short stacking energy: -16.803
Base-Backbone interact. energy: -0.000
local terms energy: -20.695229
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -3.723
flat angles C4'-P-C4' energy: -4.418
flat angles P-C4'-P energy: -3.258
tors. eta vs tors. theta energy: -4.894
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: 7
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -31.864209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.864209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.864209 (E_RNA)
where:
Base-Base interactions energy: -11.162
where: short stacking energy: -11.162
Base-Backbone interact. energy: -0.000
local terms energy: -20.702151
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.364
flat angles P-C4'-P energy: -3.644
tors. eta vs tors. theta energy: -4.213
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: 1
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -32.991619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.991619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.991619 (E_RNA)
where:
Base-Base interactions energy: -15.250
where: short stacking energy: -15.250
Base-Backbone interact. energy: -0.000
local terms energy: -17.741812
where:
bonds (distance) C4'-P energy: -2.743
bonds (distance) P-C4' energy: -4.410
flat angles C4'-P-C4' energy: -3.751
flat angles P-C4'-P energy: -3.655
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: 6, replica: 2
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -29.321380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.321380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.321380 (E_RNA)
where:
Base-Base interactions energy: -12.832
where: short stacking energy: -12.832
Base-Backbone interact. energy: -0.039
local terms energy: -16.450462
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -3.367
flat angles C4'-P-C4' energy: -3.773
flat angles P-C4'-P energy: -3.680
tors. eta vs tors. theta energy: -1.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -28.170568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.170568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.170568 (E_RNA)
where:
Base-Base interactions energy: -9.418
where: short stacking energy: -9.418
Base-Backbone interact. energy: -0.000
local terms energy: -18.752304
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -4.150
flat angles P-C4'-P energy: -2.739
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: 8, replica: 4
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -25.746496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.746496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.746496 (E_RNA)
where:
Base-Base interactions energy: -8.624
where: short stacking energy: -8.624
Base-Backbone interact. energy: -0.005
local terms energy: -17.117455
where:
bonds (distance) C4'-P energy: -4.154
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -4.455
flat angles P-C4'-P energy: -3.092
tors. eta vs tors. theta energy: -0.527
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: 8
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -25.260191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.260191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.260191 (E_RNA)
where:
Base-Base interactions energy: -13.807
where: short stacking energy: -13.807
Base-Backbone interact. energy: -0.009
local terms energy: -11.443796
where:
bonds (distance) C4'-P energy: -1.075
bonds (distance) P-C4' energy: -4.406
flat angles C4'-P-C4' energy: -2.665
flat angles P-C4'-P energy: -1.302
tors. eta vs tors. theta energy: -1.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -29.522922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.522922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.522922 (E_RNA)
where:
Base-Base interactions energy: -13.262
where: short stacking energy: -12.969
Base-Backbone interact. energy: -0.000
local terms energy: -16.261194
where:
bonds (distance) C4'-P energy: -4.270
bonds (distance) P-C4' energy: -3.202
flat angles C4'-P-C4' energy: -3.042
flat angles P-C4'-P energy: -0.868
tors. eta vs tors. theta energy: -4.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -36.169851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.169851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.169851 (E_RNA)
where:
Base-Base interactions energy: -17.723
where: short stacking energy: -17.723
Base-Backbone interact. energy: -0.000
local terms energy: -18.446600
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -2.585
flat angles C4'-P-C4' energy: -4.816
flat angles P-C4'-P energy: -2.762
tors. eta vs tors. theta energy: -4.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -34.391131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.391131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.391131 (E_RNA)
where:
Base-Base interactions energy: -14.262
where: short stacking energy: -14.262
Base-Backbone interact. energy: -0.000
local terms energy: -20.129593
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.629
flat angles P-C4'-P energy: -2.953
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: 3, replica: 7
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -36.127799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.127799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.127799 (E_RNA)
where:
Base-Base interactions energy: -18.064
where: short stacking energy: -10.148
Base-Backbone interact. energy: -0.001
local terms energy: -18.062756
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -5.361
flat angles C4'-P-C4' energy: -4.349
flat angles P-C4'-P energy: -2.726
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: 4, replica: 6
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -33.753410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.753410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.753410 (E_RNA)
where:
Base-Base interactions energy: -15.099
where: short stacking energy: -15.099
Base-Backbone interact. energy: -0.000
local terms energy: -18.654363
where:
bonds (distance) C4'-P energy: -3.389
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -4.097
flat angles P-C4'-P energy: -2.839
tors. eta vs tors. theta energy: -3.230
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: 244
Temperature: 1.100000
Total energy: -25.070494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.070494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.070494 (E_RNA)
where:
Base-Base interactions energy: -7.501
where: short stacking energy: -7.501
Base-Backbone interact. energy: -0.046
local terms energy: -17.524047
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.705
flat angles P-C4'-P energy: -2.791
tors. eta vs tors. theta energy: -1.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -30.326833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.326833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.326833 (E_RNA)
where:
Base-Base interactions energy: -10.989
where: short stacking energy: -10.989
Base-Backbone interact. energy: -0.004
local terms energy: -19.333693
where:
bonds (distance) C4'-P energy: -2.913
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -4.854
flat angles P-C4'-P energy: -3.969
tors. eta vs tors. theta energy: -3.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -28.980433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.980433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.980433 (E_RNA)
where:
Base-Base interactions energy: -12.413
where: short stacking energy: -12.413
Base-Backbone interact. energy: -0.000
local terms energy: -16.567741
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -5.128
flat angles C4'-P-C4' energy: -3.076
flat angles P-C4'-P energy: -0.117
tors. eta vs tors. theta energy: -4.200
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: 244
Temperature: 1.250000
Total energy: -26.898640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.898640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.898640 (E_RNA)
where:
Base-Base interactions energy: -9.539
where: short stacking energy: -9.539
Base-Backbone interact. energy: -0.000
local terms energy: -17.359482
where:
bonds (distance) C4'-P energy: -4.063
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.580
flat angles P-C4'-P energy: -2.693
tors. eta vs tors. theta energy: -0.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -24.958009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.958009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.958009 (E_RNA)
where:
Base-Base interactions energy: -9.839
where: short stacking energy: -9.839
Base-Backbone interact. energy: -0.000
local terms energy: -15.118817
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -3.984
flat angles C4'-P-C4' energy: -1.211
flat angles P-C4'-P energy: -3.681
tors. eta vs tors. theta energy: -2.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -25.311750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.311750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.311750 (E_RNA)
where:
Base-Base interactions energy: -8.544
where: short stacking energy: -8.544
Base-Backbone interact. energy: -0.019
local terms energy: -16.748083
where:
bonds (distance) C4'-P energy: -3.745
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.116
flat angles P-C4'-P energy: -0.486
tors. eta vs tors. theta energy: -3.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -38.030023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.030023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.030023 (E_RNA)
where:
Base-Base interactions energy: -17.109
where: short stacking energy: -17.109
Base-Backbone interact. energy: -0.000
local terms energy: -20.921521
where:
bonds (distance) C4'-P energy: -4.154
bonds (distance) P-C4' energy: -4.318
flat angles C4'-P-C4' energy: -4.273
flat angles P-C4'-P energy: -3.787
tors. eta vs tors. theta energy: -4.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -31.811797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.811797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.811797 (E_RNA)
where:
Base-Base interactions energy: -12.140
where: short stacking energy: -12.140
Base-Backbone interact. energy: -0.000
local terms energy: -19.671977
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.544
flat angles P-C4'-P energy: -3.027
tors. eta vs tors. theta energy: -3.441
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: 3, replica: 10
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -33.456925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.456925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.456925 (E_RNA)
where:
Base-Base interactions energy: -13.342
where: short stacking energy: -13.342
Base-Backbone interact. energy: -0.000
local terms energy: -20.115078
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -5.361
flat angles C4'-P-C4' energy: -3.762
flat angles P-C4'-P energy: -3.873
tors. eta vs tors. theta energy: -3.188
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: 245
Temperature: 1.050000
Total energy: -33.720936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.720936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.720936 (E_RNA)
where:
Base-Base interactions energy: -12.167
where: short stacking energy: -12.167
Base-Backbone interact. energy: -0.000
local terms energy: -21.554293
where:
bonds (distance) C4'-P energy: -3.869
bonds (distance) P-C4' energy: -4.177
flat angles C4'-P-C4' energy: -4.647
flat angles P-C4'-P energy: -3.807
tors. eta vs tors. theta energy: -5.054
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: 245
Temperature: 1.100000
Total energy: -33.300139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.300139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.300139 (E_RNA)
where:
Base-Base interactions energy: -13.294
where: short stacking energy: -13.294
Base-Backbone interact. energy: -0.000
local terms energy: -20.005834
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.649
flat angles C4'-P-C4' energy: -4.472
flat angles P-C4'-P energy: -3.137
tors. eta vs tors. theta energy: -3.354
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: 4
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -25.735218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.735218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.735218 (E_RNA)
where:
Base-Base interactions energy: -12.281
where: short stacking energy: -12.281
Base-Backbone interact. energy: -0.006
local terms energy: -13.448280
where:
bonds (distance) C4'-P energy: -3.773
bonds (distance) P-C4' energy: -3.071
flat angles C4'-P-C4' energy: -3.909
flat angles P-C4'-P energy: -2.928
tors. eta vs tors. theta energy: 0.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -27.623773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.623773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.623773 (E_RNA)
where:
Base-Base interactions energy: -11.233
where: short stacking energy: -11.233
Base-Backbone interact. energy: -0.000
local terms energy: -16.390892
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -3.364
flat angles C4'-P-C4' energy: -3.133
flat angles P-C4'-P energy: -2.697
tors. eta vs tors. theta energy: -3.196
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: 5
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -29.660092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.660092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.660092 (E_RNA)
where:
Base-Base interactions energy: -12.057
where: short stacking energy: -12.057
Base-Backbone interact. energy: -0.000
local terms energy: -17.602951
where:
bonds (distance) C4'-P energy: -3.194
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.540
flat angles P-C4'-P energy: -1.591
tors. eta vs tors. theta energy: -3.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -32.291167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.291167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.291167 (E_RNA)
where:
Base-Base interactions energy: -15.008
where: short stacking energy: -15.008
Base-Backbone interact. energy: -0.000
local terms energy: -17.283512
where:
bonds (distance) C4'-P energy: -3.629
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -3.128
flat angles P-C4'-P energy: -3.561
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: 10, replica: 8
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -27.023821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.023821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.023821 (E_RNA)
where:
Base-Base interactions energy: -13.890
where: short stacking energy: -8.216
Base-Backbone interact. energy: -0.000
local terms energy: -13.134099
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.624
flat angles C4'-P-C4' energy: -2.366
flat angles P-C4'-P energy: -1.904
tors. eta vs tors. theta energy: -0.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -36.741111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.741111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.741111 (E_RNA)
where:
Base-Base interactions energy: -17.312
where: short stacking energy: -17.312
Base-Backbone interact. energy: -0.000
local terms energy: -19.428749
where:
bonds (distance) C4'-P energy: -3.815
bonds (distance) P-C4' energy: -4.174
flat angles C4'-P-C4' energy: -4.702
flat angles P-C4'-P energy: -3.211
tors. eta vs tors. theta energy: -3.527
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: 2, replica: 9
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -31.706643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.706643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.706643 (E_RNA)
where:
Base-Base interactions energy: -12.834
where: short stacking energy: -12.834
Base-Backbone interact. energy: -0.000
local terms energy: -18.872403
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -4.048
flat angles P-C4'-P energy: -2.086
tors. eta vs tors. theta energy: -3.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -33.696964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.696964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.696964 (E_RNA)
where:
Base-Base interactions energy: -13.117
where: short stacking energy: -13.117
Base-Backbone interact. energy: -0.000
local terms energy: -20.580238
where:
bonds (distance) C4'-P energy: -3.169
bonds (distance) P-C4' energy: -3.557
flat angles C4'-P-C4' energy: -4.780
flat angles P-C4'-P energy: -3.566
tors. eta vs tors. theta energy: -5.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -37.980747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.980747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.980747 (E_RNA)
where:
Base-Base interactions energy: -16.248
where: short stacking energy: -16.248
Base-Backbone interact. energy: -0.000
local terms energy: -21.732456
where:
bonds (distance) C4'-P energy: -3.861
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.871
flat angles P-C4'-P energy: -3.987
tors. eta vs tors. theta energy: -4.920
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: 2
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -31.877674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.877674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.877674 (E_RNA)
where:
Base-Base interactions energy: -11.015
where: short stacking energy: -11.015
Base-Backbone interact. energy: -0.000
local terms energy: -20.862482
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -4.697
flat angles P-C4'-P energy: -2.072
tors. eta vs tors. theta energy: -4.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -25.807115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.807115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.807115 (E_RNA)
where:
Base-Base interactions energy: -10.025
where: short stacking energy: -10.025
Base-Backbone interact. energy: -0.045
local terms energy: -15.737120
where:
bonds (distance) C4'-P energy: -3.334
bonds (distance) P-C4' energy: -3.360
flat angles C4'-P-C4' energy: -3.936
flat angles P-C4'-P energy: -1.720
tors. eta vs tors. theta energy: -3.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -25.875023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.875023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.875023 (E_RNA)
where:
Base-Base interactions energy: -10.052
where: short stacking energy: -10.052
Base-Backbone interact. energy: -0.001
local terms energy: -15.822037
where:
bonds (distance) C4'-P energy: -3.629
bonds (distance) P-C4' energy: -3.128
flat angles C4'-P-C4' energy: -4.661
flat angles P-C4'-P energy: -2.953
tors. eta vs tors. theta energy: -1.451
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: 8, replica: 1
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -24.806268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.806268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.806268 (E_RNA)
where:
Base-Base interactions energy: -9.885
where: short stacking energy: -9.885
Base-Backbone interact. energy: -0.024
local terms energy: -14.896879
where:
bonds (distance) C4'-P energy: -3.815
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -2.373
flat angles P-C4'-P energy: -2.274
tors. eta vs tors. theta energy: -1.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -26.292490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.292490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.292490 (E_RNA)
where:
Base-Base interactions energy: -10.868
where: short stacking energy: -10.868
Base-Backbone interact. energy: -0.001
local terms energy: -15.423614
where:
bonds (distance) C4'-P energy: -2.564
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -1.361
flat angles P-C4'-P energy: -1.658
tors. eta vs tors. theta energy: -4.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -28.086201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.086201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.086201 (E_RNA)
where:
Base-Base interactions energy: -11.921
where: short stacking energy: -11.921
Base-Backbone interact. energy: -0.000
local terms energy: -16.165228
where:
bonds (distance) C4'-P energy: -3.301
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.625
flat angles P-C4'-P energy: -0.781
tors. eta vs tors. theta energy: -2.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -35.947828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.947828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.947828 (E_RNA)
where:
Base-Base interactions energy: -15.242
where: short stacking energy: -15.242
Base-Backbone interact. energy: -0.000
local terms energy: -20.705437
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.554
flat angles P-C4'-P energy: -3.310
tors. eta vs tors. theta energy: -4.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -36.942037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.942037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.942037 (E_RNA)
where:
Base-Base interactions energy: -15.037
where: short stacking energy: -15.037
Base-Backbone interact. energy: -0.000
local terms energy: -21.904846
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -4.135
flat angles P-C4'-P energy: -3.647
tors. eta vs tors. theta energy: -4.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -28.851058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.851058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.851058 (E_RNA)
where:
Base-Base interactions energy: -9.927
where: short stacking energy: -9.927
Base-Backbone interact. energy: -0.049
local terms energy: -18.875521
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.456
flat angles P-C4'-P energy: -2.816
tors. eta vs tors. theta energy: -1.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -31.137713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.137713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.137713 (E_RNA)
where:
Base-Base interactions energy: -12.925
where: short stacking energy: -12.925
Base-Backbone interact. energy: -0.000
local terms energy: -18.212417
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -4.295
flat angles P-C4'-P energy: -2.839
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: 5, replica: 2
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -28.611557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.611557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.611557 (E_RNA)
where:
Base-Base interactions energy: -12.297
where: short stacking energy: -12.297
Base-Backbone interact. energy: -0.046
local terms energy: -16.269071
where:
bonds (distance) C4'-P energy: -3.889
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.796
flat angles P-C4'-P energy: -2.413
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: 6, replica: 5
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -31.109946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.109946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.109946 (E_RNA)
where:
Base-Base interactions energy: -12.642
where: short stacking energy: -12.642
Base-Backbone interact. energy: -0.000
local terms energy: -18.467575
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -3.652
flat angles C4'-P-C4' energy: -4.182
flat angles P-C4'-P energy: -2.384
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: 7, replica: 4
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -33.198191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.198191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.198191 (E_RNA)
where:
Base-Base interactions energy: -15.048
where: short stacking energy: -15.048
Base-Backbone interact. energy: -0.000
local terms energy: -18.150446
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -3.966
flat angles C4'-P-C4' energy: -3.887
flat angles P-C4'-P energy: -2.456
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: 8, replica: 8
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -26.889421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.889421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.889421 (E_RNA)
where:
Base-Base interactions energy: -11.513
where: short stacking energy: -11.513
Base-Backbone interact. energy: -0.047
local terms energy: -15.330173
where:
bonds (distance) C4'-P energy: -3.247
bonds (distance) P-C4' energy: -4.624
flat angles C4'-P-C4' energy: -3.420
flat angles P-C4'-P energy: -2.322
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: 9, replica: 1
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -24.769222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.769222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.769222 (E_RNA)
where:
Base-Base interactions energy: -5.801
where: short stacking energy: -5.801
Base-Backbone interact. energy: -0.000
local terms energy: -18.968658
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.662
flat angles P-C4'-P energy: -3.920
tors. eta vs tors. theta energy: -2.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -25.678097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.678097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.678097 (E_RNA)
where:
Base-Base interactions energy: -9.420
where: short stacking energy: -9.420
Base-Backbone interact. energy: -0.000
local terms energy: -16.257792
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.177
flat angles C4'-P-C4' energy: -4.440
flat angles P-C4'-P energy: -2.120
tors. eta vs tors. theta energy: -1.234
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: 248
Temperature: 0.900000
Total energy: -32.347076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.347076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.347076 (E_RNA)
where:
Base-Base interactions energy: -12.746
where: short stacking energy: -12.746
Base-Backbone interact. energy: -0.000
local terms energy: -19.600382
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.828
flat angles P-C4'-P energy: -3.807
tors. eta vs tors. theta energy: -3.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -36.365533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.365533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.365533 (E_RNA)
where:
Base-Base interactions energy: -20.056
where: short stacking energy: -8.806
Base-Backbone interact. energy: -0.000
local terms energy: -16.309692
where:
bonds (distance) C4'-P energy: -3.459
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -4.487
flat angles P-C4'-P energy: -1.780
tors. eta vs tors. theta energy: -1.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -34.830651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.830651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.830651 (E_RNA)
where:
Base-Base interactions energy: -13.484
where: short stacking energy: -13.484
Base-Backbone interact. energy: -0.000
local terms energy: -21.346782
where:
bonds (distance) C4'-P energy: -3.152
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.647
flat angles P-C4'-P energy: -3.073
tors. eta vs tors. theta energy: -5.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -31.057645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.057645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.057645 (E_RNA)
where:
Base-Base interactions energy: -11.084
where: short stacking energy: -11.084
Base-Backbone interact. energy: -0.000
local terms energy: -19.974075
where:
bonds (distance) C4'-P energy: -3.301
bonds (distance) P-C4' energy: -4.051
flat angles C4'-P-C4' energy: -4.905
flat angles P-C4'-P energy: -3.787
tors. eta vs tors. theta energy: -3.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -30.488341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.488341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.488341 (E_RNA)
where:
Base-Base interactions energy: -12.281
where: short stacking energy: -12.281
Base-Backbone interact. energy: -0.000
local terms energy: -18.207813
where:
bonds (distance) C4'-P energy: -3.861
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -3.957
flat angles P-C4'-P energy: -2.465
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: 6, replica: 2
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -26.967193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.967193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.967193 (E_RNA)
where:
Base-Base interactions energy: -9.779
where: short stacking energy: -9.779
Base-Backbone interact. energy: -0.002
local terms energy: -17.186381
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.097
flat angles P-C4'-P energy: -2.416
tors. eta vs tors. theta energy: -1.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -24.238935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.238935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.238935 (E_RNA)
where:
Base-Base interactions energy: -12.200
where: short stacking energy: -12.200
Base-Backbone interact. energy: -0.003
local terms energy: -12.035972
where:
bonds (distance) C4'-P energy: -1.154
bonds (distance) P-C4' energy: -4.047
flat angles C4'-P-C4' energy: -2.707
flat angles P-C4'-P energy: -1.701
tors. eta vs tors. theta energy: -2.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -31.013124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.013124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.013124 (E_RNA)
where:
Base-Base interactions energy: -11.540
where: short stacking energy: -11.540
Base-Backbone interact. energy: -0.000
local terms energy: -19.473498
where:
bonds (distance) C4'-P energy: -3.799
bonds (distance) P-C4' energy: -3.532
flat angles C4'-P-C4' energy: -4.746
flat angles P-C4'-P energy: -3.087
tors. eta vs tors. theta energy: -4.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -26.632733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.632733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.632733 (E_RNA)
where:
Base-Base interactions energy: -8.809
where: short stacking energy: -8.809
Base-Backbone interact. energy: -0.000
local terms energy: -17.823816
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.839
flat angles C4'-P-C4' energy: -4.595
flat angles P-C4'-P energy: -0.923
tors. eta vs tors. theta energy: -2.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -25.840489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.840489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.840489 (E_RNA)
where:
Base-Base interactions energy: -11.190
where: short stacking energy: -11.190
Base-Backbone interact. energy: -0.000
local terms energy: -14.650079
where:
bonds (distance) C4'-P energy: -1.480
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -1.657
flat angles P-C4'-P energy: -2.257
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: 1, replica: 10
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -37.763727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.763727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.763727 (E_RNA)
where:
Base-Base interactions energy: -17.531
where: short stacking energy: -17.531
Base-Backbone interact. energy: -0.000
local terms energy: -20.232615
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -4.600
flat angles C4'-P-C4' energy: -3.328
flat angles P-C4'-P energy: -3.529
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: 2, replica: 6
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -31.515919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.515919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.515919 (E_RNA)
where:
Base-Base interactions energy: -12.219
where: short stacking energy: -12.219
Base-Backbone interact. energy: -0.000
local terms energy: -19.296544
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -4.112
flat angles P-C4'-P energy: -2.740
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: 3, replica: 7
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -34.736030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.736030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.736030 (E_RNA)
where:
Base-Base interactions energy: -16.330
where: short stacking energy: -16.330
Base-Backbone interact. energy: -0.000
local terms energy: -18.406000
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -4.102
flat angles P-C4'-P energy: -1.953
tors. eta vs tors. theta energy: -3.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -34.061854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.061854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.061854 (E_RNA)
where:
Base-Base interactions energy: -17.370
where: short stacking energy: -17.370
Base-Backbone interact. energy: -0.000
local terms energy: -16.692146
where:
bonds (distance) C4'-P energy: -1.976
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.296
flat angles P-C4'-P energy: -0.661
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: 5, replica: 9
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -31.170366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.170366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.170366 (E_RNA)
where:
Base-Base interactions energy: -13.602
where: short stacking energy: -13.602
Base-Backbone interact. energy: -0.016
local terms energy: -17.553247
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -3.966
flat angles C4'-P-C4' energy: -3.268
flat angles P-C4'-P energy: -3.759
tors. eta vs tors. theta energy: -2.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -32.344305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.344305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.344305 (E_RNA)
where:
Base-Base interactions energy: -14.396
where: short stacking energy: -14.396
Base-Backbone interact. energy: -0.000
local terms energy: -17.947960
where:
bonds (distance) C4'-P energy: -3.256
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -4.008
flat angles P-C4'-P energy: -2.548
tors. eta vs tors. theta energy: -3.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -27.645863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.645863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.645863 (E_RNA)
where:
Base-Base interactions energy: -10.913
where: short stacking energy: -10.913
Base-Backbone interact. energy: -0.015
local terms energy: -16.717289
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -3.958
flat angles P-C4'-P energy: -2.094
tors. eta vs tors. theta energy: -1.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -27.242174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.242174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.242174 (E_RNA)
where:
Base-Base interactions energy: -11.206
where: short stacking energy: -11.206
Base-Backbone interact. energy: -0.007
local terms energy: -16.029395
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -4.441
flat angles C4'-P-C4' energy: -4.522
flat angles P-C4'-P energy: -2.208
tors. eta vs tors. theta energy: -1.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -24.822006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.822006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.822006 (E_RNA)
where:
Base-Base interactions energy: -7.634
where: short stacking energy: -7.634
Base-Backbone interact. energy: -0.000
local terms energy: -17.187538
where:
bonds (distance) C4'-P energy: -3.045
bonds (distance) P-C4' energy: -3.885
flat angles C4'-P-C4' energy: -3.899
flat angles P-C4'-P energy: -2.817
tors. eta vs tors. theta energy: -3.541
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: 3
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -29.881977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.881977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.881977 (E_RNA)
where:
Base-Base interactions energy: -12.958
where: short stacking energy: -12.661
Base-Backbone interact. energy: -0.000
local terms energy: -16.923563
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.392
flat angles C4'-P-C4' energy: -2.637
flat angles P-C4'-P energy: -0.485
tors. eta vs tors. theta energy: -5.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -31.410089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.410089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.410089 (E_RNA)
where:
Base-Base interactions energy: -12.228
where: short stacking energy: -12.228
Base-Backbone interact. energy: -0.015
local terms energy: -19.167040
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.325
flat angles P-C4'-P energy: -3.720
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: 2, replica: 10
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -34.648716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.648716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.648716 (E_RNA)
where:
Base-Base interactions energy: -14.470
where: short stacking energy: -14.470
Base-Backbone interact. energy: -0.000
local terms energy: -20.178577
where:
bonds (distance) C4'-P energy: -3.541
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.683
flat angles P-C4'-P energy: -3.444
tors. eta vs tors. theta energy: -3.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -33.681302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.681302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.681302 (E_RNA)
where:
Base-Base interactions energy: -13.162
where: short stacking energy: -13.162
Base-Backbone interact. energy: -0.000
local terms energy: -20.519560
where:
bonds (distance) C4'-P energy: -3.161
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -4.786
flat angles P-C4'-P energy: -3.607
tors. eta vs tors. theta energy: -4.527
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: 7
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -31.264145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.264145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.264145 (E_RNA)
where:
Base-Base interactions energy: -13.186
where: short stacking energy: -13.186
Base-Backbone interact. energy: -0.000
local terms energy: -18.078106
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -2.633
flat angles P-C4'-P energy: -1.844
tors. eta vs tors. theta energy: -4.142
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: 8
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -33.335943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.335943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.335943 (E_RNA)
where:
Base-Base interactions energy: -13.106
where: short stacking energy: -13.106
Base-Backbone interact. energy: -0.000
local terms energy: -20.230342
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -4.335
flat angles P-C4'-P energy: -2.421
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: 6, replica: 9
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -26.671726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.671726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.671726 (E_RNA)
where:
Base-Base interactions energy: -9.250
where: short stacking energy: -9.250
Base-Backbone interact. energy: -0.000
local terms energy: -17.421308
where:
bonds (distance) C4'-P energy: -3.799
bonds (distance) P-C4' energy: -3.367
flat angles C4'-P-C4' energy: -4.030
flat angles P-C4'-P energy: -3.321
tors. eta vs tors. theta energy: -2.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -21.160987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.160987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.160987 (E_RNA)
where:
Base-Base interactions energy: -7.176
where: short stacking energy: -7.176
Base-Backbone interact. energy: -0.090
local terms energy: -13.895478
where:
bonds (distance) C4'-P energy: -3.923
bonds (distance) P-C4' energy: -4.202
flat angles C4'-P-C4' energy: -3.063
flat angles P-C4'-P energy: -3.105
tors. eta vs tors. theta energy: 0.397
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: 2
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -24.429312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.429312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.429312 (E_RNA)
where:
Base-Base interactions energy: -11.525
where: short stacking energy: -11.525
Base-Backbone interact. energy: -0.001
local terms energy: -12.902845
where:
bonds (distance) C4'-P energy: -3.070
bonds (distance) P-C4' energy: -2.677
flat angles C4'-P-C4' energy: -3.601
flat angles P-C4'-P energy: -3.558
tors. eta vs tors. theta energy: 0.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -29.938923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.938923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.938923 (E_RNA)
where:
Base-Base interactions energy: -14.914
where: short stacking energy: -9.063
Base-Backbone interact. energy: -0.060
local terms energy: -14.965084
where:
bonds (distance) C4'-P energy: -3.128
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -3.293
flat angles P-C4'-P energy: -2.575
tors. eta vs tors. theta energy: -0.612
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: 4
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -23.829691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.829691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.829691 (E_RNA)
where:
Base-Base interactions energy: -7.687
where: short stacking energy: -7.687
Base-Backbone interact. energy: -0.024
local terms energy: -16.117809
where:
bonds (distance) C4'-P energy: -3.781
bonds (distance) P-C4' energy: -3.874
flat angles C4'-P-C4' energy: -4.299
flat angles P-C4'-P energy: -2.704
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: 1, replica: 6
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -33.764792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.764792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.764792 (E_RNA)
where:
Base-Base interactions energy: -16.120
where: short stacking energy: -16.120
Base-Backbone interact. energy: -0.000
local terms energy: -17.644819
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -3.308
flat angles P-C4'-P energy: -2.050
tors. eta vs tors. theta energy: -3.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -30.248694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.248694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.248694 (E_RNA)
where:
Base-Base interactions energy: -12.382
where: short stacking energy: -12.382
Base-Backbone interact. energy: -0.008
local terms energy: -17.859221
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -4.653
flat angles C4'-P-C4' energy: -4.668
flat angles P-C4'-P energy: -3.728
tors. eta vs tors. theta energy: -1.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -32.455279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.455279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.455279 (E_RNA)
where:
Base-Base interactions energy: -16.126
where: short stacking energy: -7.804
Base-Backbone interact. energy: -0.010
local terms energy: -16.319242
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.060
flat angles C4'-P-C4' energy: -4.102
flat angles P-C4'-P energy: -3.044
tors. eta vs tors. theta energy: -1.013
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: 7
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -29.987769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.987769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.987769 (E_RNA)
where:
Base-Base interactions energy: -12.050
where: short stacking energy: -10.422
Base-Backbone interact. energy: -0.001
local terms energy: -17.937068
where:
bonds (distance) C4'-P energy: -3.869
bonds (distance) P-C4' energy: -4.628
flat angles C4'-P-C4' energy: -3.500
flat angles P-C4'-P energy: -2.188
tors. eta vs tors. theta energy: -3.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -22.684048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.684048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.684048 (E_RNA)
where:
Base-Base interactions energy: -7.134
where: short stacking energy: -7.134
Base-Backbone interact. energy: -0.025
local terms energy: -15.524959
where:
bonds (distance) C4'-P energy: -4.279
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -4.113
flat angles P-C4'-P energy: -1.712
tors. eta vs tors. theta energy: -0.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -26.049936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.049936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.049936 (E_RNA)
where:
Base-Base interactions energy: -9.313
where: short stacking energy: -9.313
Base-Backbone interact. energy: -0.040
local terms energy: -16.697179
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -3.793
flat angles C4'-P-C4' energy: -3.928
flat angles P-C4'-P energy: -3.472
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: 7, replica: 9
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -30.789887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.789887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.789887 (E_RNA)
where:
Base-Base interactions energy: -13.504
where: short stacking energy: -13.504
Base-Backbone interact. energy: -0.000
local terms energy: -17.286057
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -4.603
flat angles C4'-P-C4' energy: -2.605
flat angles P-C4'-P energy: -3.269
tors. eta vs tors. theta energy: -2.808
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: 8, replica: 3
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -23.482904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.482904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.482904 (E_RNA)
where:
Base-Base interactions energy: -7.102
where: short stacking energy: -7.102
Base-Backbone interact. energy: -0.000
local terms energy: -16.381077
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -4.350
flat angles P-C4'-P energy: -1.443
tors. eta vs tors. theta energy: -1.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -27.922978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.922978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.922978 (E_RNA)
where:
Base-Base interactions energy: -12.038
where: short stacking energy: -12.038
Base-Backbone interact. energy: -0.000
local terms energy: -15.884780
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -2.619
flat angles C4'-P-C4' energy: -4.104
flat angles P-C4'-P energy: -1.522
tors. eta vs tors. theta energy: -3.237
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: 4
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -25.866431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.866431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.866431 (E_RNA)
where:
Base-Base interactions energy: -8.644
where: short stacking energy: -8.644
Base-Backbone interact. energy: -0.043
local terms energy: -17.179142
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.620
flat angles P-C4'-P energy: -2.263
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: 1, replica: 6
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -40.525429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.525429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.525429 (E_RNA)
where:
Base-Base interactions energy: -18.657
where: short stacking energy: -18.657
Base-Backbone interact. energy: -0.000
local terms energy: -21.868658
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.015
flat angles P-C4'-P energy: -3.384
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: 2, replica: 5
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -31.018569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.018569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.018569 (E_RNA)
where:
Base-Base interactions energy: -13.457
where: short stacking energy: -13.457
Base-Backbone interact. energy: -0.002
local terms energy: -17.558864
where:
bonds (distance) C4'-P energy: -3.541
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -2.970
flat angles P-C4'-P energy: -3.273
tors. eta vs tors. theta energy: -2.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -27.925096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.925096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.925096 (E_RNA)
where:
Base-Base interactions energy: -11.610
where: short stacking energy: -8.101
Base-Backbone interact. energy: -0.000
local terms energy: -16.315143
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.156
flat angles C4'-P-C4' energy: -4.094
flat angles P-C4'-P energy: -0.687
tors. eta vs tors. theta energy: -2.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -33.055905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.055905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.055905 (E_RNA)
where:
Base-Base interactions energy: -14.869
where: short stacking energy: -14.869
Base-Backbone interact. energy: -0.000
local terms energy: -18.187307
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -3.180
flat angles P-C4'-P energy: -1.564
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: 5, replica: 1
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -28.964872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.964872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.964872 (E_RNA)
where:
Base-Base interactions energy: -11.746
where: short stacking energy: -11.746
Base-Backbone interact. energy: -0.057
local terms energy: -17.161560
where:
bonds (distance) C4'-P energy: -3.753
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -2.741
flat angles P-C4'-P energy: -3.055
tors. eta vs tors. theta energy: -2.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -28.472806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.472806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.472806 (E_RNA)
where:
Base-Base interactions energy: -9.285
where: short stacking energy: -9.285
Base-Backbone interact. energy: -0.000
local terms energy: -19.187803
where:
bonds (distance) C4'-P energy: -4.125
bonds (distance) P-C4' energy: -4.149
flat angles C4'-P-C4' energy: -4.182
flat angles P-C4'-P energy: -2.598
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: 7, replica: 9
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -26.717870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.717870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.717870 (E_RNA)
where:
Base-Base interactions energy: -11.238
where: short stacking energy: -11.238
Base-Backbone interact. energy: -0.001
local terms energy: -15.479118
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -2.657
flat angles P-C4'-P energy: -1.103
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: 8, replica: 3
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -29.875797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.875797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.875797 (E_RNA)
where:
Base-Base interactions energy: -11.550
where: short stacking energy: -11.550
Base-Backbone interact. energy: -0.000
local terms energy: -18.325391
where:
bonds (distance) C4'-P energy: -3.363
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -1.801
flat angles P-C4'-P energy: -2.591
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: 4
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -26.850626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.850626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.850626 (E_RNA)
where:
Base-Base interactions energy: -14.267
where: short stacking energy: -7.168
Base-Backbone interact. energy: -0.021
local terms energy: -12.562720
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -0.980
flat angles P-C4'-P energy: -2.546
tors. eta vs tors. theta energy: -0.612
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: 2
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -32.584782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.584782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.584782 (E_RNA)
where:
Base-Base interactions energy: -15.501
where: short stacking energy: -15.501
Base-Backbone interact. energy: -0.000
local terms energy: -17.084261
where:
bonds (distance) C4'-P energy: -2.718
bonds (distance) P-C4' energy: -4.149
flat angles C4'-P-C4' energy: -4.397
flat angles P-C4'-P energy: -2.817
tors. eta vs tors. theta energy: -3.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -34.272795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.272795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.272795 (E_RNA)
where:
Base-Base interactions energy: -12.943
where: short stacking energy: -12.943
Base-Backbone interact. energy: -0.000
local terms energy: -21.329488
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -4.201
flat angles P-C4'-P energy: -2.921
tors. eta vs tors. theta energy: -4.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -36.941587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.941587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.941587 (E_RNA)
where:
Base-Base interactions energy: -17.952
where: short stacking energy: -17.952
Base-Backbone interact. energy: -0.000
local terms energy: -18.989486
where:
bonds (distance) C4'-P energy: -3.152
bonds (distance) P-C4' energy: -5.361
flat angles C4'-P-C4' energy: -3.503
flat angles P-C4'-P energy: -2.011
tors. eta vs tors. theta energy: -4.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -29.657469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.657469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.657469 (E_RNA)
where:
Base-Base interactions energy: -11.570
where: short stacking energy: -11.570
Base-Backbone interact. energy: -0.000
local terms energy: -18.087496
where:
bonds (distance) C4'-P energy: -3.673
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -2.938
flat angles P-C4'-P energy: -3.370
tors. eta vs tors. theta energy: -3.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -31.316757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.316757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.316757 (E_RNA)
where:
Base-Base interactions energy: -10.956
where: short stacking energy: -10.956
Base-Backbone interact. energy: -0.000
local terms energy: -20.360696
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -4.818
flat angles P-C4'-P energy: -3.186
tors. eta vs tors. theta energy: -2.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -25.552902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.552902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.552902 (E_RNA)
where:
Base-Base interactions energy: -12.531
where: short stacking energy: -8.943
Base-Backbone interact. energy: -0.027
local terms energy: -12.994695
where:
bonds (distance) C4'-P energy: -3.699
bonds (distance) P-C4' energy: -2.649
flat angles C4'-P-C4' energy: -3.746
flat angles P-C4'-P energy: -2.158
tors. eta vs tors. theta energy: -0.743
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: 6, replica: 9
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -34.404724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.404724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.404724 (E_RNA)
where:
Base-Base interactions energy: -15.354
where: short stacking energy: -15.354
Base-Backbone interact. energy: -0.000
local terms energy: -19.051034
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -3.345
flat angles C4'-P-C4' energy: -2.545
flat angles P-C4'-P energy: -3.539
tors. eta vs tors. theta energy: -5.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -29.107058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.107058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.107058 (E_RNA)
where:
Base-Base interactions energy: -11.733
where: short stacking energy: -11.733
Base-Backbone interact. energy: -0.000
local terms energy: -17.374465
where:
bonds (distance) C4'-P energy: -3.815
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.249
flat angles P-C4'-P energy: -2.082
tors. eta vs tors. theta energy: -3.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -25.937266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.937266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.937266 (E_RNA)
where:
Base-Base interactions energy: -7.938
where: short stacking energy: -7.938
Base-Backbone interact. energy: -0.000
local terms energy: -17.999196
where:
bonds (distance) C4'-P energy: -3.558
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -4.367
flat angles P-C4'-P energy: -2.317
tors. eta vs tors. theta energy: -2.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -26.236235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.236235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.236235 (E_RNA)
where:
Base-Base interactions energy: -12.172
where: short stacking energy: -12.172
Base-Backbone interact. energy: -0.001
local terms energy: -14.063015
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -3.041
flat angles P-C4'-P energy: -0.191
tors. eta vs tors. theta energy: -1.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -25.762956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.762956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.762956 (E_RNA)
where:
Base-Base interactions energy: -12.405
where: short stacking energy: -12.405
Base-Backbone interact. energy: -0.000
local terms energy: -13.357986
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -3.790
flat angles C4'-P-C4' energy: -2.381
flat angles P-C4'-P energy: -1.944
tors. eta vs tors. theta energy: -1.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -40.337409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.337409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.337409 (E_RNA)
where:
Base-Base interactions energy: -17.824
where: short stacking energy: -17.824
Base-Backbone interact. energy: -0.000
local terms energy: -22.513321
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -4.698
flat angles P-C4'-P energy: -2.675
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: 2, replica: 7
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -38.832368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.832368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.832368 (E_RNA)
where:
Base-Base interactions energy: -17.561
where: short stacking energy: -17.561
Base-Backbone interact. energy: -0.000
local terms energy: -21.271296
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -4.060
flat angles P-C4'-P energy: -2.584
tors. eta vs tors. theta energy: -5.233
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: 3, replica: 1
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -31.183007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.183007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.183007 (E_RNA)
where:
Base-Base interactions energy: -14.142
where: short stacking energy: -10.485
Base-Backbone interact. energy: -0.000
local terms energy: -17.040876
where:
bonds (distance) C4'-P energy: -2.788
bonds (distance) P-C4' energy: -4.674
flat angles C4'-P-C4' energy: -2.935
flat angles P-C4'-P energy: -3.662
tors. eta vs tors. theta energy: -2.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -33.142193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.142193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.142193 (E_RNA)
where:
Base-Base interactions energy: -16.519
where: short stacking energy: -7.594
Base-Backbone interact. energy: -0.000
local terms energy: -16.622790
where:
bonds (distance) C4'-P energy: -4.055
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -2.991
flat angles P-C4'-P energy: -3.698
tors. eta vs tors. theta energy: -0.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -27.569740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.569740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.569740 (E_RNA)
where:
Base-Base interactions energy: -9.321
where: short stacking energy: -9.321
Base-Backbone interact. energy: -0.052
local terms energy: -18.196252
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.379
flat angles P-C4'-P energy: -3.407
tors. eta vs tors. theta energy: -1.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -31.313432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.313432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.313432 (E_RNA)
where:
Base-Base interactions energy: -12.191
where: short stacking energy: -12.191
Base-Backbone interact. energy: -0.000
local terms energy: -19.122396
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -2.727
flat angles P-C4'-P energy: -3.835
tors. eta vs tors. theta energy: -3.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -24.689132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.689132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.689132 (E_RNA)
where:
Base-Base interactions energy: -6.433
where: short stacking energy: -6.433
Base-Backbone interact. energy: -0.000
local terms energy: -18.255657
where:
bonds (distance) C4'-P energy: -3.479
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.417
flat angles P-C4'-P energy: -0.958
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: 8, replica: 8
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -27.217272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.217272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.217272 (E_RNA)
where:
Base-Base interactions energy: -13.448
where: short stacking energy: -13.448
Base-Backbone interact. energy: -0.000
local terms energy: -13.769360
where:
bonds (distance) C4'-P energy: -2.743
bonds (distance) P-C4' energy: -3.966
flat angles C4'-P-C4' energy: -1.772
flat angles P-C4'-P energy: -2.588
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: 9, replica: 2
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -30.568696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.568696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.568696 (E_RNA)
where:
Base-Base interactions energy: -13.539
where: short stacking energy: -13.539
Base-Backbone interact. energy: -0.000
local terms energy: -17.029375
where:
bonds (distance) C4'-P energy: -2.797
bonds (distance) P-C4' energy: -1.949
flat angles C4'-P-C4' energy: -3.873
flat angles P-C4'-P energy: -3.151
tors. eta vs tors. theta energy: -5.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -29.803013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.803013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.803013 (E_RNA)
where:
Base-Base interactions energy: -12.015
where: short stacking energy: -12.015
Base-Backbone interact. energy: -0.000
local terms energy: -17.788195
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -3.815
flat angles C4'-P-C4' energy: -4.233
flat angles P-C4'-P energy: -1.025
tors. eta vs tors. theta energy: -4.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -36.812936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.812936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.812936 (E_RNA)
where:
Base-Base interactions energy: -15.738
where: short stacking energy: -15.738
Base-Backbone interact. energy: -0.000
local terms energy: -21.075395
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.430
flat angles P-C4'-P energy: -3.277
tors. eta vs tors. theta energy: -3.836
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: 2, replica: 1
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -34.475808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.475808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.475808 (E_RNA)
where:
Base-Base interactions energy: -15.204
where: short stacking energy: -15.204
Base-Backbone interact. energy: -0.000
local terms energy: -19.272057
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.526
flat angles P-C4'-P energy: -2.764
tors. eta vs tors. theta energy: -3.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -31.104858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.104858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.104858 (E_RNA)
where:
Base-Base interactions energy: -13.047
where: short stacking energy: -13.047
Base-Backbone interact. energy: -0.000
local terms energy: -18.057979
where:
bonds (distance) C4'-P energy: -3.161
bonds (distance) P-C4' energy: -4.631
flat angles C4'-P-C4' energy: -3.883
flat angles P-C4'-P energy: -2.249
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: 4, replica: 9
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -31.130107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.130107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.130107 (E_RNA)
where:
Base-Base interactions energy: -11.983
where: short stacking energy: -11.983
Base-Backbone interact. energy: -0.001
local terms energy: -19.146020
where:
bonds (distance) C4'-P energy: -4.742
bonds (distance) P-C4' energy: -4.656
flat angles C4'-P-C4' energy: -4.625
flat angles P-C4'-P energy: -1.804
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: 5, replica: 5
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -35.126353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.126353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.126353 (E_RNA)
where:
Base-Base interactions energy: -14.610
where: short stacking energy: -14.610
Base-Backbone interact. energy: -0.000
local terms energy: -20.516092
where:
bonds (distance) C4'-P energy: -3.773
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.589
flat angles P-C4'-P energy: -2.796
tors. eta vs tors. theta energy: -4.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -29.193380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.193380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.193380 (E_RNA)
where:
Base-Base interactions energy: -14.229
where: short stacking energy: -14.229
Base-Backbone interact. energy: -0.000
local terms energy: -14.963890
where:
bonds (distance) C4'-P energy: -3.070
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -2.389
flat angles P-C4'-P energy: -1.836
tors. eta vs tors. theta energy: -2.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -24.754652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.754652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.754652 (E_RNA)
where:
Base-Base interactions energy: -8.526
where: short stacking energy: -8.526
Base-Backbone interact. energy: -0.000
local terms energy: -16.228745
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -3.751
flat angles C4'-P-C4' energy: -4.093
flat angles P-C4'-P energy: -3.140
tors. eta vs tors. theta energy: -1.260
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: 8, replica: 2
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -24.901272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.901272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.901272 (E_RNA)
where:
Base-Base interactions energy: -11.515
where: short stacking energy: -11.515
Base-Backbone interact. energy: -0.140
local terms energy: -13.246307
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -2.814
flat angles C4'-P-C4' energy: -4.360
flat angles P-C4'-P energy: -0.110
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: 9, replica: 8
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -23.449462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.449462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.449462 (E_RNA)
where:
Base-Base interactions energy: -7.419
where: short stacking energy: -7.419
Base-Backbone interact. energy: -0.000
local terms energy: -16.030562
where:
bonds (distance) C4'-P energy: -3.558
bonds (distance) P-C4' energy: -4.085
flat angles C4'-P-C4' energy: -3.800
flat angles P-C4'-P energy: -3.474
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: 3
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -23.875981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.875981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.875981 (E_RNA)
where:
Base-Base interactions energy: -8.443
where: short stacking energy: -8.443
Base-Backbone interact. energy: -0.000
local terms energy: -15.432664
where:
bonds (distance) C4'-P energy: -1.944
bonds (distance) P-C4' energy: -3.919
flat angles C4'-P-C4' energy: -3.398
flat angles P-C4'-P energy: -3.890
tors. eta vs tors. theta energy: -2.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -30.822695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.822695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.822695 (E_RNA)
where:
Base-Base interactions energy: -11.825
where: short stacking energy: -11.825
Base-Backbone interact. energy: -0.000
local terms energy: -18.998045
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.345
flat angles C4'-P-C4' energy: -4.578
flat angles P-C4'-P energy: -3.260
tors. eta vs tors. theta energy: -2.404
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: 6
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -38.905792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.905792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.905792 (E_RNA)
where:
Base-Base interactions energy: -17.533
where: short stacking energy: -17.533
Base-Backbone interact. energy: -0.000
local terms energy: -21.372590
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -4.410
flat angles C4'-P-C4' energy: -4.235
flat angles P-C4'-P energy: -3.473
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: 3, replica: 9
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -33.587410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.587410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.587410 (E_RNA)
where:
Base-Base interactions energy: -14.365
where: short stacking energy: -12.958
Base-Backbone interact. energy: -0.156
local terms energy: -19.065579
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -3.332
flat angles C4'-P-C4' energy: -4.647
flat angles P-C4'-P energy: -3.291
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: 4, replica: 7
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -38.125652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.125652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.125652 (E_RNA)
where:
Base-Base interactions energy: -17.030
where: short stacking energy: -17.030
Base-Backbone interact. energy: -0.000
local terms energy: -21.095891
where:
bonds (distance) C4'-P energy: -3.691
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.084
flat angles P-C4'-P energy: -2.514
tors. eta vs tors. theta energy: -5.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -30.431795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.431795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.431795 (E_RNA)
where:
Base-Base interactions energy: -13.699
where: short stacking energy: -13.699
Base-Backbone interact. energy: -0.000
local terms energy: -16.732442
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -4.288
flat angles P-C4'-P energy: -2.285
tors. eta vs tors. theta energy: -1.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -27.641128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.641128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.641128 (E_RNA)
where:
Base-Base interactions energy: -12.497
where: short stacking energy: -12.497
Base-Backbone interact. energy: -0.038
local terms energy: -15.106520
where:
bonds (distance) C4'-P energy: -3.194
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -3.160
flat angles P-C4'-P energy: -1.691
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: 7, replica: 2
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -25.309528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.309528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.309528 (E_RNA)
where:
Base-Base interactions energy: -7.387
where: short stacking energy: -7.387
Base-Backbone interact. energy: -0.000
local terms energy: -17.922648
where:
bonds (distance) C4'-P energy: -3.314
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.896
flat angles P-C4'-P energy: -3.071
tors. eta vs tors. theta energy: -2.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -23.039324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.039324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.039324 (E_RNA)
where:
Base-Base interactions energy: -8.556
where: short stacking energy: -8.556
Base-Backbone interact. energy: -0.002
local terms energy: -14.481343
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -4.555
flat angles P-C4'-P energy: -2.433
tors. eta vs tors. theta energy: 1.597
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: 3
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -26.288735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.288735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.288735 (E_RNA)
where:
Base-Base interactions energy: -9.787
where: short stacking energy: -9.787
Base-Backbone interact. energy: -0.003
local terms energy: -16.498904
where:
bonds (distance) C4'-P energy: -2.900
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -2.349
flat angles P-C4'-P energy: -3.460
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: 10, replica: 8
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -27.395160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.395160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.395160 (E_RNA)
where:
Base-Base interactions energy: -11.710
where: short stacking energy: -11.710
Base-Backbone interact. energy: -0.000
local terms energy: -15.684654
where:
bonds (distance) C4'-P energy: -1.757
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -2.012
flat angles P-C4'-P energy: -3.688
tors. eta vs tors. theta energy: -3.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -38.586322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.586322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.586322 (E_RNA)
where:
Base-Base interactions energy: -18.069
where: short stacking energy: -18.069
Base-Backbone interact. energy: -0.000
local terms energy: -20.517796
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.177
flat angles C4'-P-C4' energy: -4.279
flat angles P-C4'-P energy: -2.650
tors. eta vs tors. theta energy: -5.009
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: 2, replica: 9
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -34.015503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.015503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.015503 (E_RNA)
where:
Base-Base interactions energy: -17.393
where: short stacking energy: -12.273
Base-Backbone interact. energy: -0.008
local terms energy: -16.614889
where:
bonds (distance) C4'-P energy: -4.038
bonds (distance) P-C4' energy: -3.578
flat angles C4'-P-C4' energy: -4.659
flat angles P-C4'-P energy: -4.015
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: 3, replica: 6
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -32.672039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.672039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.672039 (E_RNA)
where:
Base-Base interactions energy: -16.044
where: short stacking energy: -16.044
Base-Backbone interact. energy: -0.000
local terms energy: -16.628309
where:
bonds (distance) C4'-P energy: -3.363
bonds (distance) P-C4' energy: -4.674
flat angles C4'-P-C4' energy: -3.153
flat angles P-C4'-P energy: -1.925
tors. eta vs tors. theta energy: -3.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -33.526367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.526367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.526367 (E_RNA)
where:
Base-Base interactions energy: -13.070
where: short stacking energy: -13.070
Base-Backbone interact. energy: -0.000
local terms energy: -20.456856
where:
bonds (distance) C4'-P energy: -3.773
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.430
flat angles P-C4'-P energy: -3.673
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: 5, replica: 7
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -32.894731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.894731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.894731 (E_RNA)
where:
Base-Base interactions energy: -13.647
where: short stacking energy: -12.869
Base-Backbone interact. energy: 0.145
local terms energy: -19.391986
where:
bonds (distance) C4'-P energy: -3.773
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -4.289
flat angles P-C4'-P energy: -3.976
tors. eta vs tors. theta energy: -2.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -29.814071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.814071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.814071 (E_RNA)
where:
Base-Base interactions energy: -12.758
where: short stacking energy: -12.758
Base-Backbone interact. energy: -0.000
local terms energy: -17.055739
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -3.955
flat angles P-C4'-P energy: -2.788
tors. eta vs tors. theta energy: -1.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -24.960444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.960444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.960444 (E_RNA)
where:
Base-Base interactions energy: -7.041
where: short stacking energy: -7.041
Base-Backbone interact. energy: -0.000
local terms energy: -17.919651
where:
bonds (distance) C4'-P energy: -3.479
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.173
flat angles P-C4'-P energy: -2.112
tors. eta vs tors. theta energy: -3.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -26.393861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.393861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.393861 (E_RNA)
where:
Base-Base interactions energy: -7.601
where: short stacking energy: -7.601
Base-Backbone interact. energy: -0.000
local terms energy: -18.792902
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.773
flat angles P-C4'-P energy: -3.172
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: 9, replica: 10
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -21.255208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.255208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.255208 (E_RNA)
where:
Base-Base interactions energy: -4.796
where: short stacking energy: -4.796
Base-Backbone interact. energy: -0.098
local terms energy: -16.361720
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.639
flat angles P-C4'-P energy: -2.422
tors. eta vs tors. theta energy: -0.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -24.475857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.475857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.475857 (E_RNA)
where:
Base-Base interactions energy: -7.462
where: short stacking energy: -7.462
Base-Backbone interact. energy: -0.000
local terms energy: -17.013431
where:
bonds (distance) C4'-P energy: -4.009
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.749
flat angles P-C4'-P energy: -2.338
tors. eta vs tors. theta energy: -1.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -34.647353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.647353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.647353 (E_RNA)
where:
Base-Base interactions energy: -13.808
where: short stacking energy: -13.808
Base-Backbone interact. energy: -0.000
local terms energy: -20.838899
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.428
flat angles P-C4'-P energy: -3.696
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: 2, replica: 1
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -38.736739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.736739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.736739 (E_RNA)
where:
Base-Base interactions energy: -17.320
where: short stacking energy: -17.320
Base-Backbone interact. energy: -0.000
local terms energy: -21.416996
where:
bonds (distance) C4'-P energy: -4.311
bonds (distance) P-C4' energy: -3.849
flat angles C4'-P-C4' energy: -4.364
flat angles P-C4'-P energy: -3.614
tors. eta vs tors. theta energy: -5.279
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: 258
Temperature: 1.000000
Total energy: -29.271980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.271980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.271980 (E_RNA)
where:
Base-Base interactions energy: -10.994
where: short stacking energy: -10.994
Base-Backbone interact. energy: -0.001
local terms energy: -18.276882
where:
bonds (distance) C4'-P energy: -2.564
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.656
flat angles P-C4'-P energy: -3.227
tors. eta vs tors. theta energy: -3.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -38.296231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.296231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.296231 (E_RNA)
where:
Base-Base interactions energy: -16.329
where: short stacking energy: -16.329
Base-Backbone interact. energy: -0.000
local terms energy: -21.967150
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -4.220
flat angles P-C4'-P energy: -3.037
tors. eta vs tors. theta energy: -4.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -34.347655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.347655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.347655 (E_RNA)
where:
Base-Base interactions energy: -12.856
where: short stacking energy: -12.856
Base-Backbone interact. energy: -0.000
local terms energy: -21.492132
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.509
flat angles P-C4'-P energy: -3.370
tors. eta vs tors. theta energy: -3.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -29.656158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.656158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.656158 (E_RNA)
where:
Base-Base interactions energy: -10.230
where: short stacking energy: -10.230
Base-Backbone interact. energy: -0.000
local terms energy: -19.426606
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.502
flat angles P-C4'-P energy: -2.088
tors. eta vs tors. theta energy: -3.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -26.717032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.717032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.717032 (E_RNA)
where:
Base-Base interactions energy: -9.106
where: short stacking energy: -9.106
Base-Backbone interact. energy: -0.000
local terms energy: -17.610888
where:
bonds (distance) C4'-P energy: -3.045
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -4.271
flat angles P-C4'-P energy: -1.801
tors. eta vs tors. theta energy: -3.136
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: 258
Temperature: 1.250000
Total energy: -24.335954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.335954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.335954 (E_RNA)
where:
Base-Base interactions energy: -8.136
where: short stacking energy: -8.136
Base-Backbone interact. energy: -0.000
local terms energy: -16.199546
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -1.901
flat angles C4'-P-C4' energy: -4.525
flat angles P-C4'-P energy: -2.320
tors. eta vs tors. theta energy: -3.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -24.790734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.790734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.790734 (E_RNA)
where:
Base-Base interactions energy: -7.638
where: short stacking energy: -7.434
Base-Backbone interact. energy: -0.067
local terms energy: -17.085930
where:
bonds (distance) C4'-P energy: -4.038
bonds (distance) P-C4' energy: -4.047
flat angles C4'-P-C4' energy: -4.643
flat angles P-C4'-P energy: -2.370
tors. eta vs tors. theta energy: -1.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -30.373707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.373707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.373707 (E_RNA)
where:
Base-Base interactions energy: -13.054
where: short stacking energy: -13.054
Base-Backbone interact. energy: -0.000
local terms energy: -17.319381
where:
bonds (distance) C4'-P energy: -1.020
bonds (distance) P-C4' energy: -5.361
flat angles C4'-P-C4' energy: -2.885
flat angles P-C4'-P energy: -2.977
tors. eta vs tors. theta energy: -5.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -29.090829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.090829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.090829 (E_RNA)
where:
Base-Base interactions energy: -10.019
where: short stacking energy: -10.019
Base-Backbone interact. energy: -0.000
local terms energy: -19.071913
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -3.527
flat angles P-C4'-P energy: -3.548
tors. eta vs tors. theta energy: -2.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -33.104720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.104720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.104720 (E_RNA)
where:
Base-Base interactions energy: -13.910
where: short stacking energy: -13.910
Base-Backbone interact. energy: -0.000
local terms energy: -19.194378
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -4.229
flat angles P-C4'-P energy: -2.701
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: 3, replica: 4
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -39.912414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.912414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.912414 (E_RNA)
where:
Base-Base interactions energy: -18.801
where: short stacking energy: -18.801
Base-Backbone interact. energy: -0.000
local terms energy: -21.111591
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.167
flat angles P-C4'-P energy: -3.843
tors. eta vs tors. theta energy: -3.995
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: 2
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -35.854903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.854903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.854903 (E_RNA)
where:
Base-Base interactions energy: -16.660
where: short stacking energy: -16.660
Base-Backbone interact. energy: -0.000
local terms energy: -19.194703
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.254
flat angles P-C4'-P energy: -1.973
tors. eta vs tors. theta energy: -3.828
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: 6
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -34.264077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.264077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.264077 (E_RNA)
where:
Base-Base interactions energy: -15.884
where: short stacking energy: -15.884
Base-Backbone interact. energy: -0.000
local terms energy: -18.380013
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -3.987
flat angles P-C4'-P energy: -0.252
tors. eta vs tors. theta energy: -4.273
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: 5
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -25.560101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.560101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.560101 (E_RNA)
where:
Base-Base interactions energy: -8.252
where: short stacking energy: -8.252
Base-Backbone interact. energy: -0.126
local terms energy: -17.181330
where:
bonds (distance) C4'-P energy: -3.753
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -4.835
flat angles P-C4'-P energy: -2.158
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: 7, replica: 7
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -27.742855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.742855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.742855 (E_RNA)
where:
Base-Base interactions energy: -10.652
where: short stacking energy: -10.652
Base-Backbone interact. energy: -0.000
local terms energy: -17.091261
where:
bonds (distance) C4'-P energy: -4.419
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -1.155
flat angles P-C4'-P energy: -3.491
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: 8, replica: 8
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -27.949944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.949944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.949944 (E_RNA)
where:
Base-Base interactions energy: -10.029
where: short stacking energy: -10.029
Base-Backbone interact. energy: 0.168
local terms energy: -18.088431
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -3.491
flat angles P-C4'-P energy: -2.097
tors. eta vs tors. theta energy: -3.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -21.807697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.807697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.807697 (E_RNA)
where:
Base-Base interactions energy: -6.547
where: short stacking energy: -6.547
Base-Backbone interact. energy: -0.000
local terms energy: -15.260487
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -4.441
flat angles C4'-P-C4' energy: -3.849
flat angles P-C4'-P energy: -2.341
tors. eta vs tors. theta energy: -0.636
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: 10
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -30.610113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.610113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.610113 (E_RNA)
where:
Base-Base interactions energy: -10.256
where: short stacking energy: -10.256
Base-Backbone interact. energy: -0.000
local terms energy: -20.353883
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -3.544
flat angles C4'-P-C4' energy: -3.801
flat angles P-C4'-P energy: -3.674
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: 1
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -35.489074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.489074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.489074 (E_RNA)
where:
Base-Base interactions energy: -16.900
where: short stacking energy: -16.900
Base-Backbone interact. energy: -0.000
local terms energy: -18.588894
where:
bonds (distance) C4'-P energy: -3.301
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.263
flat angles P-C4'-P energy: -3.251
tors. eta vs tors. theta energy: -3.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -31.792576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.792576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.792576 (E_RNA)
where:
Base-Base interactions energy: -12.626
where: short stacking energy: -12.626
Base-Backbone interact. energy: -0.000
local terms energy: -19.167013
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.447
flat angles P-C4'-P energy: -3.030
tors. eta vs tors. theta energy: -2.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -32.258691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.258691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.258691 (E_RNA)
where:
Base-Base interactions energy: -12.969
where: short stacking energy: -12.969
Base-Backbone interact. energy: -0.000
local terms energy: -19.290144
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -4.663
flat angles P-C4'-P energy: -3.151
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: 4, replica: 4
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -26.142399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.142399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.142399 (E_RNA)
where:
Base-Base interactions energy: -11.635
where: short stacking energy: -7.354
Base-Backbone interact. energy: -0.073
local terms energy: -14.434533
where:
bonds (distance) C4'-P energy: -3.256
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.025
flat angles P-C4'-P energy: -1.362
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: 5, replica: 5
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -30.478753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.478753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.478753 (E_RNA)
where:
Base-Base interactions energy: -13.644
where: short stacking energy: -13.644
Base-Backbone interact. energy: -0.000
local terms energy: -16.834386
where:
bonds (distance) C4'-P energy: -2.680
bonds (distance) P-C4' energy: -2.836
flat angles C4'-P-C4' energy: -4.097
flat angles P-C4'-P energy: -3.843
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: 6, replica: 6
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -29.685463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.685463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.685463 (E_RNA)
where:
Base-Base interactions energy: -9.585
where: short stacking energy: -9.585
Base-Backbone interact. energy: -0.000
local terms energy: -20.100029
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -4.695
flat angles P-C4'-P energy: -3.228
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: 8
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -31.576653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.576653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.576653 (E_RNA)
where:
Base-Base interactions energy: -14.441
where: short stacking energy: -7.204
Base-Backbone interact. energy: -0.003
local terms energy: -17.132607
where:
bonds (distance) C4'-P energy: -4.038
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.325
flat angles P-C4'-P energy: -3.528
tors. eta vs tors. theta energy: -0.806
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: 8, replica: 7
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -28.118038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.118038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.118038 (E_RNA)
where:
Base-Base interactions energy: -10.750
where: short stacking energy: -10.750
Base-Backbone interact. energy: -0.000
local terms energy: -17.367854
where:
bonds (distance) C4'-P energy: -4.154
bonds (distance) P-C4' energy: -4.603
flat angles C4'-P-C4' energy: -4.589
flat angles P-C4'-P energy: -1.011
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: 9, replica: 10
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -26.794304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.794304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.794304 (E_RNA)
where:
Base-Base interactions energy: -12.119
where: short stacking energy: -12.119
Base-Backbone interact. energy: -0.000
local terms energy: -14.675317
where:
bonds (distance) C4'-P energy: -3.691
bonds (distance) P-C4' energy: -3.007
flat angles C4'-P-C4' energy: -2.504
flat angles P-C4'-P energy: -1.692
tors. eta vs tors. theta energy: -3.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -22.719951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.719951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.719951 (E_RNA)
where:
Base-Base interactions energy: -5.360
where: short stacking energy: -5.323
Base-Backbone interact. energy: -0.099
local terms energy: -17.261360
where:
bonds (distance) C4'-P energy: -3.247
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -2.916
flat angles P-C4'-P energy: -2.917
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: 1, replica: 1
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -35.299652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.299652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.299652 (E_RNA)
where:
Base-Base interactions energy: -17.388
where: short stacking energy: -17.388
Base-Backbone interact. energy: -0.000
local terms energy: -17.911697
where:
bonds (distance) C4'-P energy: -3.574
bonds (distance) P-C4' energy: -3.560
flat angles C4'-P-C4' energy: -4.254
flat angles P-C4'-P energy: -2.837
tors. eta vs tors. theta energy: -3.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -34.575523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.575523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.575523 (E_RNA)
where:
Base-Base interactions energy: -17.672
where: short stacking energy: -9.667
Base-Backbone interact. energy: -0.025
local terms energy: -16.878555
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -4.152
flat angles P-C4'-P energy: -3.729
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: 3, replica: 2
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -29.721711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.721711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.721711 (E_RNA)
where:
Base-Base interactions energy: -13.567
where: short stacking energy: -13.567
Base-Backbone interact. energy: -0.006
local terms energy: -16.148864
where:
bonds (distance) C4'-P energy: -4.427
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.609
flat angles P-C4'-P energy: -0.403
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: 4, replica: 5
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -32.048922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.048922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.048922 (E_RNA)
where:
Base-Base interactions energy: -11.122
where: short stacking energy: -11.122
Base-Backbone interact. energy: -0.000
local terms energy: -20.927214
where:
bonds (distance) C4'-P energy: -3.815
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.636
flat angles P-C4'-P energy: -3.008
tors. eta vs tors. theta energy: -5.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -34.643169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.643169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.643169 (E_RNA)
where:
Base-Base interactions energy: -16.686
where: short stacking energy: -16.686
Base-Backbone interact. energy: -0.000
local terms energy: -17.957584
where:
bonds (distance) C4'-P energy: -3.781
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -4.472
flat angles P-C4'-P energy: -1.607
tors. eta vs tors. theta energy: -3.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -29.825345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.825345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.825345 (E_RNA)
where:
Base-Base interactions energy: -10.501
where: short stacking energy: -10.501
Base-Backbone interact. energy: -0.000
local terms energy: -19.324168
where:
bonds (distance) C4'-P energy: -3.451
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.538
flat angles P-C4'-P energy: -2.822
tors. eta vs tors. theta energy: -4.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -29.233652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.233652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.233652 (E_RNA)
where:
Base-Base interactions energy: -11.790
where: short stacking energy: -11.790
Base-Backbone interact. energy: -0.006
local terms energy: -17.437184
where:
bonds (distance) C4'-P energy: -4.163
bonds (distance) P-C4' energy: -3.793
flat angles C4'-P-C4' energy: -4.614
flat angles P-C4'-P energy: -2.953
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: 10
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -30.005913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.005913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.005913 (E_RNA)
where:
Base-Base interactions energy: -14.010
where: short stacking energy: -14.010
Base-Backbone interact. energy: -0.000
local terms energy: -15.995957
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -1.535
flat angles C4'-P-C4' energy: -3.891
flat angles P-C4'-P energy: -2.448
tors. eta vs tors. theta energy: -3.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -25.253517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.253517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.253517 (E_RNA)
where:
Base-Base interactions energy: -11.250
where: short stacking energy: -3.276
Base-Backbone interact. energy: -0.002
local terms energy: -14.000670
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.345
flat angles P-C4'-P energy: -1.421
tors. eta vs tors. theta energy: 0.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -24.052410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.052410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.052410 (E_RNA)
where:
Base-Base interactions energy: -6.870
where: short stacking energy: -6.870
Base-Backbone interact. energy: -0.104
local terms energy: -17.078556
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -4.395
flat angles C4'-P-C4' energy: -4.149
flat angles P-C4'-P energy: -3.537
tors. eta vs tors. theta energy: -0.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -33.953387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.953387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.953387 (E_RNA)
where:
Base-Base interactions energy: -15.032
where: short stacking energy: -15.032
Base-Backbone interact. energy: -0.000
local terms energy: -18.921068
where:
bonds (distance) C4'-P energy: -3.637
bonds (distance) P-C4' energy: -3.075
flat angles C4'-P-C4' energy: -4.325
flat angles P-C4'-P energy: -3.890
tors. eta vs tors. theta energy: -3.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -37.513267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.513267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.513267 (E_RNA)
where:
Base-Base interactions energy: -18.345
where: short stacking energy: -18.345
Base-Backbone interact. energy: -0.000
local terms energy: -19.168116
where:
bonds (distance) C4'-P energy: -2.423
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.836
flat angles P-C4'-P energy: -3.146
tors. eta vs tors. theta energy: -3.648
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: 2
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -32.456638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.456638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.456638 (E_RNA)
where:
Base-Base interactions energy: -13.585
where: short stacking energy: -13.585
Base-Backbone interact. energy: -0.000
local terms energy: -18.871244
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -3.766
flat angles P-C4'-P energy: -3.188
tors. eta vs tors. theta energy: -3.511
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: 5
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -37.913340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.913340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.913340 (E_RNA)
where:
Base-Base interactions energy: -18.162
where: short stacking energy: -18.162
Base-Backbone interact. energy: -0.000
local terms energy: -19.751562
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.406
flat angles C4'-P-C4' energy: -4.666
flat angles P-C4'-P energy: -2.308
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: 5, replica: 8
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -31.536311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.536311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.536311 (E_RNA)
where:
Base-Base interactions energy: -15.596
where: short stacking energy: -8.215
Base-Backbone interact. energy: -0.381
local terms energy: -15.558996
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -4.184
flat angles P-C4'-P energy: -2.552
tors. eta vs tors. theta energy: -0.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -26.936900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.936900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.936900 (E_RNA)
where:
Base-Base interactions energy: -9.897
where: short stacking energy: -9.897
Base-Backbone interact. energy: -0.001
local terms energy: -17.039105
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -2.092
flat angles P-C4'-P energy: -2.228
tors. eta vs tors. theta energy: -3.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -26.248884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.248884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.248884 (E_RNA)
where:
Base-Base interactions energy: -10.414
where: short stacking energy: -8.460
Base-Backbone interact. energy: -0.000
local terms energy: -15.834908
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.152
flat angles C4'-P-C4' energy: -4.488
flat angles P-C4'-P energy: -2.912
tors. eta vs tors. theta energy: -0.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -32.505486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.505486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.505486 (E_RNA)
where:
Base-Base interactions energy: -13.700
where: short stacking energy: -13.700
Base-Backbone interact. energy: -0.000
local terms energy: -18.805255
where:
bonds (distance) C4'-P energy: -2.581
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -3.972
flat angles P-C4'-P energy: -2.376
tors. eta vs tors. theta energy: -4.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -24.426594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.426594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.426594 (E_RNA)
where:
Base-Base interactions energy: -11.028
where: short stacking energy: -5.746
Base-Backbone interact. energy: -0.085
local terms energy: -13.313711
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -3.503
flat angles P-C4'-P energy: -0.099
tors. eta vs tors. theta energy: -0.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -25.693860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.693860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.693860 (E_RNA)
where:
Base-Base interactions energy: -13.344
where: short stacking energy: -13.344
Base-Backbone interact. energy: -0.000
local terms energy: -12.349525
where:
bonds (distance) C4'-P energy: -2.370
bonds (distance) P-C4' energy: -4.674
flat angles C4'-P-C4' energy: -0.795
flat angles P-C4'-P energy: -2.396
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: 1
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -37.371767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.371767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.371767 (E_RNA)
where:
Base-Base interactions energy: -17.093
where: short stacking energy: -17.093
Base-Backbone interact. energy: -0.000
local terms energy: -20.278469
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.078
flat angles C4'-P-C4' energy: -3.137
flat angles P-C4'-P energy: -3.671
tors. eta vs tors. theta energy: -4.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -29.998157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.998157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.998157 (E_RNA)
where:
Base-Base interactions energy: -12.559
where: short stacking energy: -12.559
Base-Backbone interact. energy: -0.061
local terms energy: -17.377849
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -3.553
flat angles C4'-P-C4' energy: -4.010
flat angles P-C4'-P energy: -3.021
tors. eta vs tors. theta energy: -2.746
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: 9
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -32.023842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.023842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.023842 (E_RNA)
where:
Base-Base interactions energy: -13.950
where: short stacking energy: -13.950
Base-Backbone interact. energy: -0.000
local terms energy: -18.073843
where:
bonds (distance) C4'-P energy: -3.691
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -3.925
flat angles P-C4'-P energy: -3.929
tors. eta vs tors. theta energy: -1.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -31.428408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.428408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.428408 (E_RNA)
where:
Base-Base interactions energy: -11.487
where: short stacking energy: -11.487
Base-Backbone interact. energy: -0.000
local terms energy: -19.941349
where:
bonds (distance) C4'-P energy: -4.154
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.996
flat angles P-C4'-P energy: -1.925
tors. eta vs tors. theta energy: -4.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -30.807866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.807866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.807866 (E_RNA)
where:
Base-Base interactions energy: -12.992
where: short stacking energy: -12.992
Base-Backbone interact. energy: -0.000
local terms energy: -17.815368
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -4.712
flat angles P-C4'-P energy: -0.677
tors. eta vs tors. theta energy: -3.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -32.266708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.266708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.266708 (E_RNA)
where:
Base-Base interactions energy: -14.094
where: short stacking energy: -14.094
Base-Backbone interact. energy: -0.000
local terms energy: -18.172973
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -3.748
flat angles C4'-P-C4' energy: -4.555
flat angles P-C4'-P energy: -3.316
tors. eta vs tors. theta energy: -2.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -27.132924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.132924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.132924 (E_RNA)
where:
Base-Base interactions energy: -7.408
where: short stacking energy: -7.408
Base-Backbone interact. energy: -0.000
local terms energy: -19.724485
where:
bonds (distance) C4'-P energy: -3.036
bonds (distance) P-C4' energy: -4.047
flat angles C4'-P-C4' energy: -4.451
flat angles P-C4'-P energy: -3.156
tors. eta vs tors. theta energy: -5.034
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: 8, replica: 3
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -25.528258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.528258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.528258 (E_RNA)
where:
Base-Base interactions energy: -8.599
where: short stacking energy: -8.599
Base-Backbone interact. energy: -0.028
local terms energy: -16.901443
where:
bonds (distance) C4'-P energy: -3.699
bonds (distance) P-C4' energy: -4.202
flat angles C4'-P-C4' energy: -3.715
flat angles P-C4'-P energy: -3.567
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: 9, replica: 6
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -25.592056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.592056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.592056 (E_RNA)
where:
Base-Base interactions energy: -8.481
where: short stacking energy: -8.481
Base-Backbone interact. energy: -0.001
local terms energy: -17.109661
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.506
flat angles P-C4'-P energy: -2.863
tors. eta vs tors. theta energy: -0.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -24.116886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.116886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.116886 (E_RNA)
where:
Base-Base interactions energy: -9.114
where: short stacking energy: -9.114
Base-Backbone interact. energy: -0.007
local terms energy: -14.996228
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -2.303
flat angles P-C4'-P energy: -1.593
tors. eta vs tors. theta energy: -1.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -37.077785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.077785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.077785 (E_RNA)
where:
Base-Base interactions energy: -17.806
where: short stacking energy: -9.490
Base-Backbone interact. energy: -0.003
local terms energy: -19.268139
where:
bonds (distance) C4'-P energy: -4.163
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -4.085
flat angles P-C4'-P energy: -3.376
tors. eta vs tors. theta energy: -3.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -32.772506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.772506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.772506 (E_RNA)
where:
Base-Base interactions energy: -13.555
where: short stacking energy: -13.555
Base-Backbone interact. energy: -0.000
local terms energy: -19.217183
where:
bonds (distance) C4'-P energy: -2.634
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.786
flat angles P-C4'-P energy: -3.292
tors. eta vs tors. theta energy: -3.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -36.248724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.248724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.248724 (E_RNA)
where:
Base-Base interactions energy: -14.079
where: short stacking energy: -14.079
Base-Backbone interact. energy: -0.000
local terms energy: -22.169367
where:
bonds (distance) C4'-P energy: -4.634
bonds (distance) P-C4' energy: -5.128
flat angles C4'-P-C4' energy: -4.116
flat angles P-C4'-P energy: -3.007
tors. eta vs tors. theta energy: -5.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -27.056331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.056331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.056331 (E_RNA)
where:
Base-Base interactions energy: -7.916
where: short stacking energy: -7.916
Base-Backbone interact. energy: -0.000
local terms energy: -19.140482
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.131
flat angles P-C4'-P energy: -3.506
tors. eta vs tors. theta energy: -2.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -32.055671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.055671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.055671 (E_RNA)
where:
Base-Base interactions energy: -14.064
where: short stacking energy: -14.064
Base-Backbone interact. energy: -0.001
local terms energy: -17.991317
where:
bonds (distance) C4'-P energy: -3.673
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -4.766
flat angles P-C4'-P energy: -2.802
tors. eta vs tors. theta energy: -2.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -30.744561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.744561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.744561 (E_RNA)
where:
Base-Base interactions energy: -12.985
where: short stacking energy: -12.985
Base-Backbone interact. energy: -0.000
local terms energy: -17.759526
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.099
flat angles P-C4'-P energy: -3.185
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: 7, replica: 3
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -33.029536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.029536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.029536 (E_RNA)
where:
Base-Base interactions energy: -15.628
where: short stacking energy: -15.628
Base-Backbone interact. energy: -0.000
local terms energy: -17.401100
where:
bonds (distance) C4'-P energy: -3.372
bonds (distance) P-C4' energy: -3.748
flat angles C4'-P-C4' energy: -3.853
flat angles P-C4'-P energy: -1.482
tors. eta vs tors. theta energy: -4.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -30.724680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.724680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.724680 (E_RNA)
where:
Base-Base interactions energy: -15.237
where: short stacking energy: -15.237
Base-Backbone interact. energy: -0.000
local terms energy: -15.487557
where:
bonds (distance) C4'-P energy: -3.247
bonds (distance) P-C4' energy: -4.110
flat angles C4'-P-C4' energy: -3.095
flat angles P-C4'-P energy: -1.282
tors. eta vs tors. theta energy: -3.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -22.596107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.596107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.596107 (E_RNA)
where:
Base-Base interactions energy: -7.246
where: short stacking energy: -7.246
Base-Backbone interact. energy: -0.000
local terms energy: -15.349876
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -3.818
flat angles C4'-P-C4' energy: -2.297
flat angles P-C4'-P energy: -3.751
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: 10, replica: 6
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -30.799544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.799544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.799544 (E_RNA)
where:
Base-Base interactions energy: -12.008
where: short stacking energy: -12.008
Base-Backbone interact. energy: -0.000
local terms energy: -18.791077
where:
bonds (distance) C4'-P energy: -3.637
bonds (distance) P-C4' energy: -4.392
flat angles C4'-P-C4' energy: -4.299
flat angles P-C4'-P energy: -2.198
tors. eta vs tors. theta energy: -4.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -36.080725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.080725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.080725 (E_RNA)
where:
Base-Base interactions energy: -16.679
where: short stacking energy: -16.679
Base-Backbone interact. energy: -0.000
local terms energy: -19.402047
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.867
flat angles C4'-P-C4' energy: -3.013
flat angles P-C4'-P energy: -3.235
tors. eta vs tors. theta energy: -4.178
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: 9
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -38.810153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.810153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.810153 (E_RNA)
where:
Base-Base interactions energy: -20.207
where: short stacking energy: -12.151
Base-Backbone interact. energy: -0.006
local terms energy: -18.597117
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -3.697
flat angles P-C4'-P energy: -3.700
tors. eta vs tors. theta energy: -1.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -31.493107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.493107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.493107 (E_RNA)
where:
Base-Base interactions energy: -14.004
where: short stacking energy: -11.388
Base-Backbone interact. energy: -0.000
local terms energy: -17.489300
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -4.526
flat angles P-C4'-P energy: -1.504
tors. eta vs tors. theta energy: -2.064
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: 265
Temperature: 1.050000
Total energy: -27.157223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.157223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.157223 (E_RNA)
where:
Base-Base interactions energy: -9.920
where: short stacking energy: -9.920
Base-Backbone interact. energy: -0.000
local terms energy: -17.237270
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -4.085
flat angles P-C4'-P energy: -2.605
tors. eta vs tors. theta energy: -1.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -31.780800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.780800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.780800 (E_RNA)
where:
Base-Base interactions energy: -13.220
where: short stacking energy: -13.220
Base-Backbone interact. energy: -0.000
local terms energy: -18.560636
where:
bonds (distance) C4'-P energy: -2.457
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -4.261
flat angles P-C4'-P energy: -2.243
tors. eta vs tors. theta energy: -4.928
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: 265
Temperature: 1.150000
Total energy: -26.245241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.245241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.245241 (E_RNA)
where:
Base-Base interactions energy: -8.621
where: short stacking energy: -8.621
Base-Backbone interact. energy: -0.006
local terms energy: -17.618424
where:
bonds (distance) C4'-P energy: -3.558
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -2.922
flat angles P-C4'-P energy: -3.871
tors. eta vs tors. theta energy: -2.146
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: 5
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -24.948484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.948484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.948484 (E_RNA)
where:
Base-Base interactions energy: -7.539
where: short stacking energy: -7.539
Base-Backbone interact. energy: -0.000
local terms energy: -17.409192
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.280
flat angles P-C4'-P energy: -1.570
tors. eta vs tors. theta energy: -2.277
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: 7
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -32.246377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.246377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.246377 (E_RNA)
where:
Base-Base interactions energy: -14.420
where: short stacking energy: -14.420
Base-Backbone interact. energy: -0.000
local terms energy: -17.826637
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -3.815
flat angles C4'-P-C4' energy: -3.564
flat angles P-C4'-P energy: -0.873
tors. eta vs tors. theta energy: -5.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -27.025735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.025735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.025735 (E_RNA)
where:
Base-Base interactions energy: -8.366
where: short stacking energy: -8.366
Base-Backbone interact. energy: -0.049
local terms energy: -18.610305
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -2.592
flat angles P-C4'-P energy: -3.789
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: 10, replica: 6
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -26.826132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.826132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.826132 (E_RNA)
where:
Base-Base interactions energy: -12.141
where: short stacking energy: -12.141
Base-Backbone interact. energy: -0.000
local terms energy: -14.684948
where:
bonds (distance) C4'-P energy: -3.277
bonds (distance) P-C4' energy: -4.047
flat angles C4'-P-C4' energy: -4.035
flat angles P-C4'-P energy: 1.261
tors. eta vs tors. theta energy: -4.587
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: 9
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -38.896318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.896318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.896318 (E_RNA)
where:
Base-Base interactions energy: -21.671
where: short stacking energy: -12.586
Base-Backbone interact. energy: -0.003
local terms energy: -17.222441
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.202
flat angles C4'-P-C4' energy: -3.193
flat angles P-C4'-P energy: -3.635
tors. eta vs tors. theta energy: -2.083
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: 1
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -41.687523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.687523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.687523 (E_RNA)
where:
Base-Base interactions energy: -18.116
where: short stacking energy: -18.116
Base-Backbone interact. energy: -0.000
local terms energy: -23.571162
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -4.452
flat angles P-C4'-P energy: -3.994
tors. eta vs tors. theta energy: -5.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -31.682237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.682237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.682237 (E_RNA)
where:
Base-Base interactions energy: -13.096
where: short stacking energy: -13.096
Base-Backbone interact. energy: -0.002
local terms energy: -18.584214
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -2.798
flat angles P-C4'-P energy: -3.530
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: 4, replica: 2
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -29.372395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.372395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.372395 (E_RNA)
where:
Base-Base interactions energy: -12.677
where: short stacking energy: -12.677
Base-Backbone interact. energy: -0.000
local terms energy: -16.695083
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -2.511
flat angles C4'-P-C4' energy: -3.473
flat angles P-C4'-P energy: -3.702
tors. eta vs tors. theta energy: -2.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -22.724395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.724395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.724395 (E_RNA)
where:
Base-Base interactions energy: -8.837
where: short stacking energy: -4.980
Base-Backbone interact. energy: -0.093
local terms energy: -13.794443
where:
bonds (distance) C4'-P energy: -3.673
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -4.008
flat angles P-C4'-P energy: -1.342
tors. eta vs tors. theta energy: -0.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -27.976739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.976739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.976739 (E_RNA)
where:
Base-Base interactions energy: -13.493
where: short stacking energy: -13.493
Base-Backbone interact. energy: -0.081
local terms energy: -14.402722
where:
bonds (distance) C4'-P energy: -3.247
bonds (distance) P-C4' energy: -3.941
flat angles C4'-P-C4' energy: -4.341
flat angles P-C4'-P energy: -1.508
tors. eta vs tors. theta energy: -1.365
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: 266
Temperature: 1.200000
Total energy: -32.371109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.371109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.371109 (E_RNA)
where:
Base-Base interactions energy: -12.091
where: short stacking energy: -10.498
Base-Backbone interact. energy: -0.402
local terms energy: -19.877484
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.428
flat angles P-C4'-P energy: -3.510
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: 8, replica: 5
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -28.242665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.242665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.242665 (E_RNA)
where:
Base-Base interactions energy: -10.652
where: short stacking energy: -10.652
Base-Backbone interact. energy: -0.004
local terms energy: -17.587466
where:
bonds (distance) C4'-P energy: -3.045
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.182
flat angles P-C4'-P energy: -2.224
tors. eta vs tors. theta energy: -3.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -29.839085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.839085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.839085 (E_RNA)
where:
Base-Base interactions energy: -15.998
where: short stacking energy: -15.998
Base-Backbone interact. energy: -0.000
local terms energy: -13.841244
where:
bonds (distance) C4'-P energy: -2.796
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -3.423
flat angles P-C4'-P energy: -0.220
tors. eta vs tors. theta energy: -3.203
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: 10
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -24.431758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.431758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.431758 (E_RNA)
where:
Base-Base interactions energy: -7.718
where: short stacking energy: -7.718
Base-Backbone interact. energy: -0.000
local terms energy: -16.713958
where:
bonds (distance) C4'-P energy: -3.699
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -3.769
flat angles P-C4'-P energy: -2.662
tors. eta vs tors. theta energy: -1.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -38.815171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.815171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.815171 (E_RNA)
where:
Base-Base interactions energy: -17.980
where: short stacking energy: -17.980
Base-Backbone interact. energy: -0.000
local terms energy: -20.835628
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -4.413
flat angles P-C4'-P energy: -3.583
tors. eta vs tors. theta energy: -4.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -32.715433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.715433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.715433 (E_RNA)
where:
Base-Base interactions energy: -12.418
where: short stacking energy: -12.418
Base-Backbone interact. energy: -0.000
local terms energy: -20.297262
where:
bonds (distance) C4'-P energy: -4.419
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.542
flat angles P-C4'-P energy: -2.952
tors. eta vs tors. theta energy: -3.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -37.246541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.246541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.246541 (E_RNA)
where:
Base-Base interactions energy: -16.891
where: short stacking energy: -16.891
Base-Backbone interact. energy: -0.000
local terms energy: -20.355815
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -3.410
flat angles C4'-P-C4' energy: -4.112
flat angles P-C4'-P energy: -3.595
tors. eta vs tors. theta energy: -5.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -32.343483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.343483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.343483 (E_RNA)
where:
Base-Base interactions energy: -12.683
where: short stacking energy: -12.683
Base-Backbone interact. energy: -0.000
local terms energy: -19.660378
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.482
flat angles P-C4'-P energy: -3.947
tors. eta vs tors. theta energy: -3.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -31.374012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.374012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.374012 (E_RNA)
where:
Base-Base interactions energy: -15.799
where: short stacking energy: -15.799
Base-Backbone interact. energy: -0.000
local terms energy: -15.575274
where:
bonds (distance) C4'-P energy: -1.409
bonds (distance) P-C4' energy: -3.324
flat angles C4'-P-C4' energy: -3.434
flat angles P-C4'-P energy: -3.715
tors. eta vs tors. theta energy: -3.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -28.774654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.774654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.774654 (E_RNA)
where:
Base-Base interactions energy: -12.491
where: short stacking energy: -12.491
Base-Backbone interact. energy: -0.000
local terms energy: -16.283016
where:
bonds (distance) C4'-P energy: -3.629
bonds (distance) P-C4' energy: -3.723
flat angles C4'-P-C4' energy: -4.717
flat angles P-C4'-P energy: -2.734
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: 7, replica: 4
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -31.314312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.314312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.314312 (E_RNA)
where:
Base-Base interactions energy: -13.424
where: short stacking energy: -13.424
Base-Backbone interact. energy: -0.000
local terms energy: -17.889879
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.202
flat angles C4'-P-C4' energy: -4.261
flat angles P-C4'-P energy: -2.007
tors. eta vs tors. theta energy: -3.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -27.772875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.772875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.772875 (E_RNA)
where:
Base-Base interactions energy: -13.345
where: short stacking energy: -13.345
Base-Backbone interact. energy: -0.000
local terms energy: -14.428001
where:
bonds (distance) C4'-P energy: -2.759
bonds (distance) P-C4' energy: -3.518
flat angles C4'-P-C4' energy: -2.940
flat angles P-C4'-P energy: -2.649
tors. eta vs tors. theta energy: -2.562
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: 267
Temperature: 1.300000
Total energy: -25.357893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.357893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.357893 (E_RNA)
where:
Base-Base interactions energy: -9.012
where: short stacking energy: -9.012
Base-Backbone interact. energy: -0.000
local terms energy: -16.345309
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -4.782
flat angles P-C4'-P energy: -1.709
tors. eta vs tors. theta energy: -0.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -24.484561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.484561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.484561 (E_RNA)
where:
Base-Base interactions energy: -11.843
where: short stacking energy: -11.843
Base-Backbone interact. energy: -0.000
local terms energy: -12.641172
where:
bonds (distance) C4'-P energy: 0.565
bonds (distance) P-C4' energy: -3.494
flat angles C4'-P-C4' energy: -4.303
flat angles P-C4'-P energy: -2.132
tors. eta vs tors. theta energy: -3.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -38.310439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.310439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.310439 (E_RNA)
where:
Base-Base interactions energy: -17.177
where: short stacking energy: -17.177
Base-Backbone interact. energy: -0.000
local terms energy: -21.133816
where:
bonds (distance) C4'-P energy: -3.575
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.959
flat angles P-C4'-P energy: -4.049
tors. eta vs tors. theta energy: -4.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -29.433161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.433161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.433161 (E_RNA)
where:
Base-Base interactions energy: -13.413
where: short stacking energy: -13.413
Base-Backbone interact. energy: -0.000
local terms energy: -16.019902
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.606
flat angles P-C4'-P energy: -1.299
tors. eta vs tors. theta energy: -2.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -24.291415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.291415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.291415 (E_RNA)
where:
Base-Base interactions energy: -8.891
where: short stacking energy: -4.209
Base-Backbone interact. energy: -0.132
local terms energy: -15.268078
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -4.642
flat angles P-C4'-P energy: -3.871
tors. eta vs tors. theta energy: 1.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -31.246178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.246178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.246178 (E_RNA)
where:
Base-Base interactions energy: -11.445
where: short stacking energy: -11.445
Base-Backbone interact. energy: -0.000
local terms energy: -19.801245
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.572
flat angles C4'-P-C4' energy: -3.761
flat angles P-C4'-P energy: -2.390
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: 5, replica: 7
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -27.091789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.091789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.091789 (E_RNA)
where:
Base-Base interactions energy: -8.870
where: short stacking energy: -8.870
Base-Backbone interact. energy: -0.000
local terms energy: -18.221926
where:
bonds (distance) C4'-P energy: -2.867
bonds (distance) P-C4' energy: -4.336
flat angles C4'-P-C4' energy: -4.662
flat angles P-C4'-P energy: -3.474
tors. eta vs tors. theta energy: -2.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -31.956484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.956484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.956484 (E_RNA)
where:
Base-Base interactions energy: -13.150
where: short stacking energy: -13.150
Base-Backbone interact. energy: -0.000
local terms energy: -18.806695
where:
bonds (distance) C4'-P energy: -1.153
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.633
flat angles P-C4'-P energy: -3.448
tors. eta vs tors. theta energy: -4.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -30.525553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.525553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.525553 (E_RNA)
where:
Base-Base interactions energy: -10.787
where: short stacking energy: -10.787
Base-Backbone interact. energy: -0.000
local terms energy: -19.738374
where:
bonds (distance) C4'-P energy: -3.309
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.943
flat angles P-C4'-P energy: -2.293
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: 4
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -28.685774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.685774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.685774 (E_RNA)
where:
Base-Base interactions energy: -13.550
where: short stacking energy: -13.550
Base-Backbone interact. energy: -0.000
local terms energy: -15.135952
where:
bonds (distance) C4'-P energy: -2.936
bonds (distance) P-C4' energy: -4.044
flat angles C4'-P-C4' energy: -4.077
flat angles P-C4'-P energy: -2.852
tors. eta vs tors. theta energy: -1.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -27.442284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.442284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.442284 (E_RNA)
where:
Base-Base interactions energy: -10.163
where: short stacking energy: -10.163
Base-Backbone interact. energy: -0.000
local terms energy: -17.279702
where:
bonds (distance) C4'-P energy: -3.923
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.400
flat angles P-C4'-P energy: -3.666
tors. eta vs tors. theta energy: -0.936
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: 5
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -25.727365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.727365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.727365 (E_RNA)
where:
Base-Base interactions energy: -8.306
where: short stacking energy: -8.306
Base-Backbone interact. energy: -0.000
local terms energy: -17.420923
where:
bonds (distance) C4'-P energy: -3.281
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.727
flat angles P-C4'-P energy: -1.223
tors. eta vs tors. theta energy: -3.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -37.260079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.260079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.260079 (E_RNA)
where:
Base-Base interactions energy: -17.965
where: short stacking energy: -17.965
Base-Backbone interact. energy: -0.000
local terms energy: -19.294597
where:
bonds (distance) C4'-P energy: -4.535
bonds (distance) P-C4' energy: -2.550
flat angles C4'-P-C4' energy: -4.614
flat angles P-C4'-P energy: -2.781
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: 2, replica: 9
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -31.901149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.901149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.901149 (E_RNA)
where:
Base-Base interactions energy: -11.221
where: short stacking energy: -11.221
Base-Backbone interact. energy: -0.000
local terms energy: -20.680135
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.902
flat angles P-C4'-P energy: -2.561
tors. eta vs tors. theta energy: -4.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -32.480548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.480548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.480548 (E_RNA)
where:
Base-Base interactions energy: -11.497
where: short stacking energy: -11.497
Base-Backbone interact. energy: -0.000
local terms energy: -20.983808
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -3.625
flat angles P-C4'-P energy: -3.555
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: 4, replica: 1
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -31.251837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.251837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.251837 (E_RNA)
where:
Base-Base interactions energy: -13.454
where: short stacking energy: -13.454
Base-Backbone interact. energy: -0.000
local terms energy: -17.797608
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.031
flat angles P-C4'-P energy: -3.911
tors. eta vs tors. theta energy: -1.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -29.531336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.531336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.531336 (E_RNA)
where:
Base-Base interactions energy: -15.303
where: short stacking energy: -8.754
Base-Backbone interact. energy: -0.061
local terms energy: -14.167266
where:
bonds (distance) C4'-P energy: -3.637
bonds (distance) P-C4' energy: -3.981
flat angles C4'-P-C4' energy: -2.148
flat angles P-C4'-P energy: -3.641
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: 6, replica: 6
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -26.073591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.073591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.073591 (E_RNA)
where:
Base-Base interactions energy: -9.322
where: short stacking energy: -9.322
Base-Backbone interact. energy: -0.033
local terms energy: -16.718198
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -3.031
flat angles P-C4'-P energy: -3.441
tors. eta vs tors. theta energy: -1.598
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: 2
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -26.138576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.138576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.138576 (E_RNA)
where:
Base-Base interactions energy: -8.891
where: short stacking energy: -8.891
Base-Backbone interact. energy: -0.000
local terms energy: -17.247114
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.047
flat angles C4'-P-C4' energy: -4.202
flat angles P-C4'-P energy: -3.037
tors. eta vs tors. theta energy: -1.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -30.794615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.794615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.794615 (E_RNA)
where:
Base-Base interactions energy: -13.996
where: short stacking energy: -13.996
Base-Backbone interact. energy: -0.000
local terms energy: -16.798696
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -3.312
flat angles C4'-P-C4' energy: -3.521
flat angles P-C4'-P energy: -3.412
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: 9, replica: 4
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -26.887382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.887382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.887382 (E_RNA)
where:
Base-Base interactions energy: -10.158
where: short stacking energy: -10.158
Base-Backbone interact. energy: -0.000
local terms energy: -16.728948
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.964
flat angles P-C4'-P energy: -1.448
tors. eta vs tors. theta energy: -1.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -25.716392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.716392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.716392 (E_RNA)
where:
Base-Base interactions energy: -8.272
where: short stacking energy: -8.272
Base-Backbone interact. energy: -0.000
local terms energy: -17.444741
where:
bonds (distance) C4'-P energy: -2.900
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.013
flat angles P-C4'-P energy: -1.364
tors. eta vs tors. theta energy: -3.817
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: 9
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -34.567260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.567260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.567260 (E_RNA)
where:
Base-Base interactions energy: -13.323
where: short stacking energy: -13.323
Base-Backbone interact. energy: -0.000
local terms energy: -21.244408
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.447
flat angles P-C4'-P energy: -3.445
tors. eta vs tors. theta energy: -3.835
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: 8
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -29.106923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.106923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.106923 (E_RNA)
where:
Base-Base interactions energy: -11.373
where: short stacking energy: -11.373
Base-Backbone interact. energy: -0.000
local terms energy: -17.734136
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.839
flat angles C4'-P-C4' energy: -3.880
flat angles P-C4'-P energy: -2.455
tors. eta vs tors. theta energy: -2.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -27.704005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.704005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.704005 (E_RNA)
where:
Base-Base interactions energy: -9.472
where: short stacking energy: -9.472
Base-Backbone interact. energy: -0.100
local terms energy: -18.132452
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -4.432
flat angles P-C4'-P energy: -3.551
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: 4, replica: 3
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -32.451929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.451929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.451929 (E_RNA)
where:
Base-Base interactions energy: -14.330
where: short stacking energy: -14.330
Base-Backbone interact. energy: -0.000
local terms energy: -18.121499
where:
bonds (distance) C4'-P energy: -3.745
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.712
flat angles P-C4'-P energy: -1.357
tors. eta vs tors. theta energy: -3.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -26.585208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.585208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.585208 (E_RNA)
where:
Base-Base interactions energy: -10.249
where: short stacking energy: -10.249
Base-Backbone interact. energy: -0.014
local terms energy: -16.322044
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -2.745
flat angles P-C4'-P energy: -3.368
tors. eta vs tors. theta energy: -1.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -31.984668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.984668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.984668 (E_RNA)
where:
Base-Base interactions energy: -13.061
where: short stacking energy: -13.061
Base-Backbone interact. energy: -0.000
local terms energy: -18.923185
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -3.578
flat angles C4'-P-C4' energy: -3.847
flat angles P-C4'-P energy: -2.297
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: 7, replica: 10
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -29.134598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.134598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.134598 (E_RNA)
where:
Base-Base interactions energy: -15.922
where: short stacking energy: -6.953
Base-Backbone interact. energy: -0.014
local terms energy: -13.198590
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -2.758
flat angles P-C4'-P energy: -2.180
tors. eta vs tors. theta energy: -0.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -31.627343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.627343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.627343 (E_RNA)
where:
Base-Base interactions energy: -13.108
where: short stacking energy: -13.108
Base-Backbone interact. energy: -0.000
local terms energy: -18.519534
where:
bonds (distance) C4'-P energy: -3.923
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.122
flat angles P-C4'-P energy: -3.525
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: 5
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -30.993891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.993891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.993891 (E_RNA)
where:
Base-Base interactions energy: -12.038
where: short stacking energy: -12.038
Base-Backbone interact. energy: -0.000
local terms energy: -18.955740
where:
bonds (distance) C4'-P energy: -4.163
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.282
flat angles P-C4'-P energy: -3.414
tors. eta vs tors. theta energy: -2.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -27.512674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.512674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.512674 (E_RNA)
where:
Base-Base interactions energy: -8.142
where: short stacking energy: -8.142
Base-Backbone interact. energy: -0.000
local terms energy: -19.370858
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.148
flat angles P-C4'-P energy: -2.738
tors. eta vs tors. theta energy: -3.197
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: 9
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -38.258350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.258350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.258350 (E_RNA)
where:
Base-Base interactions energy: -16.408
where: short stacking energy: -16.408
Base-Backbone interact. energy: -0.000
local terms energy: -21.850598
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -4.633
flat angles P-C4'-P energy: -3.259
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: 2, replica: 1
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -25.424398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.424398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.424398 (E_RNA)
where:
Base-Base interactions energy: -8.212
where: short stacking energy: -8.212
Base-Backbone interact. energy: -0.001
local terms energy: -17.211498
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.881
flat angles P-C4'-P energy: -2.479
tors. eta vs tors. theta energy: -1.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -26.917115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.917115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.917115 (E_RNA)
where:
Base-Base interactions energy: -8.735
where: short stacking energy: -8.735
Base-Backbone interact. energy: -0.000
local terms energy: -18.182108
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -4.324
flat angles P-C4'-P energy: -1.991
tors. eta vs tors. theta energy: -2.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -35.040310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.040310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.040310 (E_RNA)
where:
Base-Base interactions energy: -19.543
where: short stacking energy: -11.663
Base-Backbone interact. energy: -0.005
local terms energy: -15.492358
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -3.815
flat angles C4'-P-C4' energy: -3.463
flat angles P-C4'-P energy: -2.172
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: 5, replica: 3
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -28.860153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.860153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.860153 (E_RNA)
where:
Base-Base interactions energy: -11.149
where: short stacking energy: -11.149
Base-Backbone interact. energy: -0.000
local terms energy: -17.710745
where:
bonds (distance) C4'-P energy: -3.344
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.014
flat angles P-C4'-P energy: -3.176
tors. eta vs tors. theta energy: -3.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -30.904821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.904821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.904821 (E_RNA)
where:
Base-Base interactions energy: -17.073
where: short stacking energy: -17.073
Base-Backbone interact. energy: -0.000
local terms energy: -13.831736
where:
bonds (distance) C4'-P energy: -3.363
bonds (distance) P-C4' energy: -3.726
flat angles C4'-P-C4' energy: -3.834
flat angles P-C4'-P energy: 0.694
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: 7, replica: 7
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -29.331784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.331784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.331784 (E_RNA)
where:
Base-Base interactions energy: -11.489
where: short stacking energy: -11.489
Base-Backbone interact. energy: -0.000
local terms energy: -17.842283
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -3.948
flat angles C4'-P-C4' energy: -4.574
flat angles P-C4'-P energy: -1.635
tors. eta vs tors. theta energy: -3.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -22.022838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.022838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.022838 (E_RNA)
where:
Base-Base interactions energy: -6.986
where: short stacking energy: -6.986
Base-Backbone interact. energy: -0.000
local terms energy: -15.036862
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -3.041
flat angles P-C4'-P energy: -3.026
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: 9, replica: 2
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -26.244766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.244766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.244766 (E_RNA)
where:
Base-Base interactions energy: -9.690
where: short stacking energy: -9.690
Base-Backbone interact. energy: -0.000
local terms energy: -16.554359
where:
bonds (distance) C4'-P energy: -1.819
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.260
flat angles P-C4'-P energy: -2.991
tors. eta vs tors. theta energy: -2.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -20.499759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.499759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.499759 (E_RNA)
where:
Base-Base interactions energy: -7.187
where: short stacking energy: -7.187
Base-Backbone interact. energy: -0.000
local terms energy: -13.312778
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -3.248
flat angles P-C4'-P energy: -3.691
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: 9
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -35.883914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.883914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.883914 (E_RNA)
where:
Base-Base interactions energy: -15.482
where: short stacking energy: -15.482
Base-Backbone interact. energy: -0.000
local terms energy: -20.401611
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.674
flat angles C4'-P-C4' energy: -4.135
flat angles P-C4'-P energy: -1.777
tors. eta vs tors. theta energy: -5.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -28.123767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.123767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.123767 (E_RNA)
where:
Base-Base interactions energy: -10.508
where: short stacking energy: -10.508
Base-Backbone interact. energy: -0.053
local terms energy: -17.563069
where:
bonds (distance) C4'-P energy: -3.256
bonds (distance) P-C4' energy: -4.631
flat angles C4'-P-C4' energy: -4.181
flat angles P-C4'-P energy: -3.473
tors. eta vs tors. theta energy: -2.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -38.839459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.839459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.839459 (E_RNA)
where:
Base-Base interactions energy: -16.356
where: short stacking energy: -16.356
Base-Backbone interact. energy: -0.000
local terms energy: -22.483903
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -4.628
flat angles C4'-P-C4' energy: -4.766
flat angles P-C4'-P energy: -3.862
tors. eta vs tors. theta energy: -5.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -31.885091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.885091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.885091 (E_RNA)
where:
Base-Base interactions energy: -14.689
where: short stacking energy: -14.689
Base-Backbone interact. energy: -0.000
local terms energy: -17.195760
where:
bonds (distance) C4'-P energy: -2.299
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.328
flat angles P-C4'-P energy: -3.680
tors. eta vs tors. theta energy: -1.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -25.674035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.674035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.674035 (E_RNA)
where:
Base-Base interactions energy: -7.976
where: short stacking energy: -7.976
Base-Backbone interact. energy: -0.026
local terms energy: -17.672594
where:
bonds (distance) C4'-P energy: -3.939
bonds (distance) P-C4' energy: -4.410
flat angles C4'-P-C4' energy: -4.344
flat angles P-C4'-P energy: -3.305
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: 6, replica: 3
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -27.483109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.483109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.483109 (E_RNA)
where:
Base-Base interactions energy: -8.870
where: short stacking energy: -8.870
Base-Backbone interact. energy: -0.000
local terms energy: -18.613464
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.606
flat angles P-C4'-P energy: -2.645
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: 7, replica: 5
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -29.015685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.015685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.015685 (E_RNA)
where:
Base-Base interactions energy: -12.560
where: short stacking energy: -12.560
Base-Backbone interact. energy: -0.000
local terms energy: -16.456066
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -4.054
flat angles C4'-P-C4' energy: -4.068
flat angles P-C4'-P energy: -2.313
tors. eta vs tors. theta energy: -2.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -26.723826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.723826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.723826 (E_RNA)
where:
Base-Base interactions energy: -7.149
where: short stacking energy: -7.149
Base-Backbone interact. energy: -0.000
local terms energy: -19.574520
where:
bonds (distance) C4'-P energy: -2.892
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -4.008
flat angles P-C4'-P energy: -3.086
tors. eta vs tors. theta energy: -4.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -30.400041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.400041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.400041 (E_RNA)
where:
Base-Base interactions energy: -11.805
where: short stacking energy: -11.805
Base-Backbone interact. energy: -0.000
local terms energy: -18.595302
where:
bonds (distance) C4'-P energy: -4.125
bonds (distance) P-C4' energy: -4.634
flat angles C4'-P-C4' energy: -3.555
flat angles P-C4'-P energy: -3.911
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: 10, replica: 2
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -26.437607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.437607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.437607 (E_RNA)
where:
Base-Base interactions energy: -8.833
where: short stacking energy: -8.833
Base-Backbone interact. energy: -0.000
local terms energy: -17.604808
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -3.919
flat angles P-C4'-P energy: -2.509
tors. eta vs tors. theta energy: -2.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -33.598293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.598293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.598293 (E_RNA)
where:
Base-Base interactions energy: -14.753
where: short stacking energy: -14.753
Base-Backbone interact. energy: -0.000
local terms energy: -18.845622
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.566
flat angles P-C4'-P energy: -2.456
tors. eta vs tors. theta energy: -3.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -38.567959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.567959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.567959 (E_RNA)
where:
Base-Base interactions energy: -16.132
where: short stacking energy: -16.132
Base-Backbone interact. energy: -0.000
local terms energy: -22.436282
where:
bonds (distance) C4'-P energy: -4.233
bonds (distance) P-C4' energy: -4.410
flat angles C4'-P-C4' energy: -4.555
flat angles P-C4'-P energy: -4.003
tors. eta vs tors. theta energy: -5.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -31.207400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.207400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.207400 (E_RNA)
where:
Base-Base interactions energy: -13.590
where: short stacking energy: -13.590
Base-Backbone interact. energy: -0.000
local terms energy: -17.617751
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -2.535
flat angles P-C4'-P energy: -2.151
tors. eta vs tors. theta energy: -3.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -29.799316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.799316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.799316 (E_RNA)
where:
Base-Base interactions energy: -13.307
where: short stacking energy: -6.919
Base-Backbone interact. energy: -0.008
local terms energy: -16.484590
where:
bonds (distance) C4'-P energy: -3.781
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -3.134
flat angles P-C4'-P energy: -3.191
tors. eta vs tors. theta energy: -1.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -26.237780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.237780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.237780 (E_RNA)
where:
Base-Base interactions energy: -10.865
where: short stacking energy: -10.865
Base-Backbone interact. energy: -0.079
local terms energy: -15.293953
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -1.490
flat angles P-C4'-P energy: -3.786
tors. eta vs tors. theta energy: -1.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -27.549507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.549507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.549507 (E_RNA)
where:
Base-Base interactions energy: -9.644
where: short stacking energy: -9.644
Base-Backbone interact. energy: -0.000
local terms energy: -17.905893
where:
bonds (distance) C4'-P energy: -3.753
bonds (distance) P-C4' energy: -5.132
flat angles C4'-P-C4' energy: -3.585
flat angles P-C4'-P energy: -2.821
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: 7, replica: 3
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -27.701294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.701294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.701294 (E_RNA)
where:
Base-Base interactions energy: -10.110
where: short stacking energy: -10.110
Base-Backbone interact. energy: -0.000
local terms energy: -17.590724
where:
bonds (distance) C4'-P energy: -3.583
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.499
flat angles P-C4'-P energy: -3.437
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: 8, replica: 4
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -30.731531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.731531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.731531 (E_RNA)
where:
Base-Base interactions energy: -10.497
where: short stacking energy: -10.497
Base-Backbone interact. energy: -0.000
local terms energy: -20.234588
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.873
flat angles P-C4'-P energy: -2.394
tors. eta vs tors. theta energy: -3.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -27.831789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.831789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.831789 (E_RNA)
where:
Base-Base interactions energy: -11.057
where: short stacking energy: -11.057
Base-Backbone interact. energy: -0.000
local terms energy: -16.774321
where:
bonds (distance) C4'-P energy: -3.372
bonds (distance) P-C4' energy: -4.177
flat angles C4'-P-C4' energy: -4.295
flat angles P-C4'-P energy: -2.213
tors. eta vs tors. theta energy: -2.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -24.385825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.385825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.385825 (E_RNA)
where:
Base-Base interactions energy: -8.679
where: short stacking energy: -8.679
Base-Backbone interact. energy: -0.028
local terms energy: -15.678764
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -2.730
flat angles P-C4'-P energy: -2.335
tors. eta vs tors. theta energy: -1.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -33.301099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.301099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.301099 (E_RNA)
where:
Base-Base interactions energy: -12.990
where: short stacking energy: -12.990
Base-Backbone interact. energy: -0.000
local terms energy: -20.311412
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -4.453
flat angles P-C4'-P energy: -2.470
tors. eta vs tors. theta energy: -3.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -28.981229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.981229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.981229 (E_RNA)
where:
Base-Base interactions energy: -13.858
where: short stacking energy: -13.858
Base-Backbone interact. energy: -0.001
local terms energy: -15.122504
where:
bonds (distance) C4'-P energy: -3.053
bonds (distance) P-C4' energy: -3.984
flat angles C4'-P-C4' energy: -3.928
flat angles P-C4'-P energy: -2.542
tors. eta vs tors. theta energy: -1.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -32.062867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.062867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.062867 (E_RNA)
where:
Base-Base interactions energy: -14.112
where: short stacking energy: -14.112
Base-Backbone interact. energy: -0.000
local terms energy: -17.950933
where:
bonds (distance) C4'-P energy: -3.716
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.261
flat angles P-C4'-P energy: -1.658
tors. eta vs tors. theta energy: -3.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -31.646023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.646023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.646023 (E_RNA)
where:
Base-Base interactions energy: -13.216
where: short stacking energy: -13.216
Base-Backbone interact. energy: -0.000
local terms energy: -18.429672
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -4.471
flat angles P-C4'-P energy: -2.531
tors. eta vs tors. theta energy: -2.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -31.227852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.227852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.227852 (E_RNA)
where:
Base-Base interactions energy: -14.798
where: short stacking energy: -14.798
Base-Backbone interact. energy: -0.000
local terms energy: -16.430111
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -3.265
flat angles C4'-P-C4' energy: -3.466
flat angles P-C4'-P energy: -0.832
tors. eta vs tors. theta energy: -5.059
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: 6, replica: 8
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -25.940432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.940432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.940432 (E_RNA)
where:
Base-Base interactions energy: -8.497
where: short stacking energy: -8.497
Base-Backbone interact. energy: -0.003
local terms energy: -17.439934
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.482
flat angles P-C4'-P energy: -1.903
tors. eta vs tors. theta energy: -3.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -32.296007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.296007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.296007 (E_RNA)
where:
Base-Base interactions energy: -13.222
where: short stacking energy: -13.222
Base-Backbone interact. energy: -0.000
local terms energy: -19.074247
where:
bonds (distance) C4'-P energy: -3.629
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -4.905
flat angles P-C4'-P energy: -3.060
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: 8, replica: 3
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -26.709593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.709593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.709593 (E_RNA)
where:
Base-Base interactions energy: -9.342
where: short stacking energy: -9.342
Base-Backbone interact. energy: -0.000
local terms energy: -17.367626
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -3.268
flat angles C4'-P-C4' energy: -4.662
flat angles P-C4'-P energy: -3.765
tors. eta vs tors. theta energy: -1.386
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: 9, replica: 2
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -27.495511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.495511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.495511 (E_RNA)
where:
Base-Base interactions energy: -7.648
where: short stacking energy: -7.648
Base-Backbone interact. energy: -0.000
local terms energy: -19.847681
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.466
flat angles P-C4'-P energy: -3.843
tors. eta vs tors. theta energy: -2.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -23.708447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.708447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.708447 (E_RNA)
where:
Base-Base interactions energy: -7.430
where: short stacking energy: -7.430
Base-Backbone interact. energy: -0.004
local terms energy: -16.274203
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -3.557
flat angles C4'-P-C4' energy: -4.271
flat angles P-C4'-P energy: -2.326
tors. eta vs tors. theta energy: -1.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -33.584045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.584045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.584045 (E_RNA)
where:
Base-Base interactions energy: -13.198
where: short stacking energy: -13.198
Base-Backbone interact. energy: -0.000
local terms energy: -20.385961
where:
bonds (distance) C4'-P energy: -3.335
bonds (distance) P-C4' energy: -4.674
flat angles C4'-P-C4' energy: -4.376
flat angles P-C4'-P energy: -3.376
tors. eta vs tors. theta energy: -4.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -35.255059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.255059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.255059 (E_RNA)
where:
Base-Base interactions energy: -16.488
where: short stacking energy: -16.488
Base-Backbone interact. energy: -0.000
local terms energy: -18.767317
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -3.265
flat angles P-C4'-P energy: -1.882
tors. eta vs tors. theta energy: -5.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -32.359111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.359111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.359111 (E_RNA)
where:
Base-Base interactions energy: -18.313
where: short stacking energy: -9.086
Base-Backbone interact. energy: -0.069
local terms energy: -13.976950
where:
bonds (distance) C4'-P energy: -2.697
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -2.078
flat angles P-C4'-P energy: -3.673
tors. eta vs tors. theta energy: -1.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -27.758166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.758166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.758166 (E_RNA)
where:
Base-Base interactions energy: -12.111
where: short stacking energy: -12.111
Base-Backbone interact. energy: -0.000
local terms energy: -15.647226
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -4.441
flat angles C4'-P-C4' energy: -3.252
flat angles P-C4'-P energy: -1.226
tors. eta vs tors. theta energy: -2.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -26.500794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.500794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.500794 (E_RNA)
where:
Base-Base interactions energy: -11.449
where: short stacking energy: -11.449
Base-Backbone interact. energy: -0.006
local terms energy: -15.045854
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -3.367
flat angles C4'-P-C4' energy: -1.697
flat angles P-C4'-P energy: -3.124
tors. eta vs tors. theta energy: -2.339
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: 6, replica: 4
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -27.398617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.398617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.398617 (E_RNA)
where:
Base-Base interactions energy: -8.934
where: short stacking energy: -8.934
Base-Backbone interact. energy: -0.000
local terms energy: -18.464738
where:
bonds (distance) C4'-P energy: -3.479
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -3.442
flat angles P-C4'-P energy: -3.300
tors. eta vs tors. theta energy: -3.144
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: 7, replica: 8
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -26.370016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.370016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.370016 (E_RNA)
where:
Base-Base interactions energy: -10.681
where: short stacking energy: -10.681
Base-Backbone interact. energy: -0.000
local terms energy: -15.689158
where:
bonds (distance) C4'-P energy: -3.629
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -3.908
flat angles P-C4'-P energy: -2.588
tors. eta vs tors. theta energy: -1.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -31.959160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.959160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.959160 (E_RNA)
where:
Base-Base interactions energy: -14.156
where: short stacking energy: -14.156
Base-Backbone interact. energy: -0.000
local terms energy: -17.802705
where:
bonds (distance) C4'-P energy: -3.781
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -3.225
flat angles P-C4'-P energy: -2.796
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: 9, replica: 3
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -24.874037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.874037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.874037 (E_RNA)
where:
Base-Base interactions energy: -9.093
where: short stacking energy: -9.093
Base-Backbone interact. energy: -0.000
local terms energy: -15.780656
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -2.649
flat angles C4'-P-C4' energy: -3.942
flat angles P-C4'-P energy: -3.407
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: 10, replica: 7
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -20.147625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.147625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.147625 (E_RNA)
where:
Base-Base interactions energy: -7.524
where: short stacking energy: -7.524
Base-Backbone interact. energy: -0.002
local terms energy: -12.622305
where:
bonds (distance) C4'-P energy: -3.078
bonds (distance) P-C4' energy: -3.646
flat angles C4'-P-C4' energy: -3.475
flat angles P-C4'-P energy: -2.012
tors. eta vs tors. theta energy: -0.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -34.305591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.305591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.305591 (E_RNA)
where:
Base-Base interactions energy: -15.548
where: short stacking energy: -15.548
Base-Backbone interact. energy: -0.000
local terms energy: -18.757287
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -3.777
flat angles C4'-P-C4' energy: -2.782
flat angles P-C4'-P energy: -3.204
tors. eta vs tors. theta energy: -5.009
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: 2, replica: 6
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -35.033718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.033718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.033718 (E_RNA)
where:
Base-Base interactions energy: -16.193
where: short stacking energy: -16.193
Base-Backbone interact. energy: -0.000
local terms energy: -18.840233
where:
bonds (distance) C4'-P energy: -4.038
bonds (distance) P-C4' energy: -3.786
flat angles C4'-P-C4' energy: -4.341
flat angles P-C4'-P energy: -3.110
tors. eta vs tors. theta energy: -3.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -28.586499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.586499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.586499 (E_RNA)
where:
Base-Base interactions energy: -12.503
where: short stacking energy: -10.013
Base-Backbone interact. energy: -0.515
local terms energy: -15.568524
where:
bonds (distance) C4'-P energy: -3.923
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -3.937
flat angles P-C4'-P energy: -1.703
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: 4, replica: 9
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -30.186484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.186484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.186484 (E_RNA)
where:
Base-Base interactions energy: -12.565
where: short stacking energy: -12.565
Base-Backbone interact. energy: -0.000
local terms energy: -17.621976
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.800
flat angles P-C4'-P energy: -1.862
tors. eta vs tors. theta energy: -2.384
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: 276
Temperature: 1.100000
Total energy: -27.465475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.465475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.465475 (E_RNA)
where:
Base-Base interactions energy: -10.639
where: short stacking energy: -10.639
Base-Backbone interact. energy: -0.000
local terms energy: -16.826773
where:
bonds (distance) C4'-P energy: -3.939
bonds (distance) P-C4' energy: -4.051
flat angles C4'-P-C4' energy: -3.269
flat angles P-C4'-P energy: -2.637
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: 6, replica: 1
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -28.464820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.464820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.464820 (E_RNA)
where:
Base-Base interactions energy: -10.145
where: short stacking energy: -8.170
Base-Backbone interact. energy: -1.168
local terms energy: -17.150937
where:
bonds (distance) C4'-P energy: -3.045
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.068
flat angles P-C4'-P energy: -1.888
tors. eta vs tors. theta energy: -3.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -28.641462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.641462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.641462 (E_RNA)
where:
Base-Base interactions energy: -9.822
where: short stacking energy: -9.822
Base-Backbone interact. energy: -0.000
local terms energy: -18.819470
where:
bonds (distance) C4'-P energy: -2.962
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -4.467
flat angles P-C4'-P energy: -2.832
tors. eta vs tors. theta energy: -3.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -27.084201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.084201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.084201 (E_RNA)
where:
Base-Base interactions energy: -11.943
where: short stacking energy: -11.943
Base-Backbone interact. energy: -0.000
local terms energy: -15.140659
where:
bonds (distance) C4'-P energy: -3.128
bonds (distance) P-C4' energy: -4.653
flat angles C4'-P-C4' energy: -3.504
flat angles P-C4'-P energy: -1.860
tors. eta vs tors. theta energy: -1.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -26.226250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.226250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.226250 (E_RNA)
where:
Base-Base interactions energy: -8.049
where: short stacking energy: -8.049
Base-Backbone interact. energy: -0.000
local terms energy: -18.177284
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.269
flat angles P-C4'-P energy: -1.443
tors. eta vs tors. theta energy: -3.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -24.732259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.732259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.732259 (E_RNA)
where:
Base-Base interactions energy: -9.656
where: short stacking energy: -9.656
Base-Backbone interact. energy: -0.001
local terms energy: -15.075687
where:
bonds (distance) C4'-P energy: -2.962
bonds (distance) P-C4' energy: -2.346
flat angles C4'-P-C4' energy: -4.590
flat angles P-C4'-P energy: -3.497
tors. eta vs tors. theta energy: -1.681
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: 10
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -36.378438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.378438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.378438 (E_RNA)
where:
Base-Base interactions energy: -16.150
where: short stacking energy: -16.150
Base-Backbone interact. energy: -0.000
local terms energy: -20.228027
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -3.131
flat angles C4'-P-C4' energy: -3.868
flat angles P-C4'-P energy: -3.688
tors. eta vs tors. theta energy: -5.441
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: 5
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -24.670386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.670386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.670386 (E_RNA)
where:
Base-Base interactions energy: -9.107
where: short stacking energy: -9.107
Base-Backbone interact. energy: -0.000
local terms energy: -15.563000
where:
bonds (distance) C4'-P energy: -3.268
bonds (distance) P-C4' energy: -3.811
flat angles C4'-P-C4' energy: -3.080
flat angles P-C4'-P energy: -3.396
tors. eta vs tors. theta energy: -2.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -37.716291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.716291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.716291 (E_RNA)
where:
Base-Base interactions energy: -16.318
where: short stacking energy: -16.318
Base-Backbone interact. energy: -0.000
local terms energy: -21.398490
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.752
flat angles P-C4'-P energy: -2.935
tors. eta vs tors. theta energy: -4.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -32.275039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.275039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.275039 (E_RNA)
where:
Base-Base interactions energy: -15.079
where: short stacking energy: -15.079
Base-Backbone interact. energy: -0.044
local terms energy: -17.152420
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -4.575
flat angles C4'-P-C4' energy: -4.115
flat angles P-C4'-P energy: -1.769
tors. eta vs tors. theta energy: -2.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -30.399318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.399318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.399318 (E_RNA)
where:
Base-Base interactions energy: -12.962
where: short stacking energy: -12.962
Base-Backbone interact. energy: -0.000
local terms energy: -17.437610
where:
bonds (distance) C4'-P energy: -1.748
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.452
flat angles P-C4'-P energy: -2.438
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: 6, replica: 8
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -29.612831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.612831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.612831 (E_RNA)
where:
Base-Base interactions energy: -14.645
where: short stacking energy: -13.992
Base-Backbone interact. energy: -0.000
local terms energy: -14.968228
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -3.128
flat angles C4'-P-C4' energy: -3.737
flat angles P-C4'-P energy: -1.662
tors. eta vs tors. theta energy: -2.164
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: 7, replica: 1
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -30.045274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.045274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.045274 (E_RNA)
where:
Base-Base interactions energy: -11.967
where: short stacking energy: -11.967
Base-Backbone interact. energy: -0.000
local terms energy: -18.078006
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -4.177
flat angles C4'-P-C4' energy: -4.416
flat angles P-C4'-P energy: -2.814
tors. eta vs tors. theta energy: -2.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -24.357785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.357785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.357785 (E_RNA)
where:
Base-Base interactions energy: -7.929
where: short stacking energy: -7.929
Base-Backbone interact. energy: -0.000
local terms energy: -16.428359
where:
bonds (distance) C4'-P energy: -3.629
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.222
flat angles P-C4'-P energy: -1.815
tors. eta vs tors. theta energy: -2.327
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: 2
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -27.918942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.918942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.918942 (E_RNA)
where:
Base-Base interactions energy: -10.262
where: short stacking energy: -10.262
Base-Backbone interact. energy: -0.008
local terms energy: -17.648463
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -4.174
flat angles C4'-P-C4' energy: -3.931
flat angles P-C4'-P energy: -3.137
tors. eta vs tors. theta energy: -2.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -26.443767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.443767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.443767 (E_RNA)
where:
Base-Base interactions energy: -9.686
where: short stacking energy: -9.686
Base-Backbone interact. energy: -0.000
local terms energy: -16.757651
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -3.811
flat angles C4'-P-C4' energy: -4.031
flat angles P-C4'-P energy: -2.756
tors. eta vs tors. theta energy: -2.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -39.948758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.948758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.948758 (E_RNA)
where:
Base-Base interactions energy: -18.449
where: short stacking energy: -18.449
Base-Backbone interact. energy: -0.000
local terms energy: -21.500121
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -4.080
flat angles P-C4'-P energy: -3.306
tors. eta vs tors. theta energy: -5.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -35.262044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.262044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.262044 (E_RNA)
where:
Base-Base interactions energy: -17.665
where: short stacking energy: -17.665
Base-Backbone interact. energy: -0.000
local terms energy: -17.597017
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -4.420
flat angles C4'-P-C4' energy: -3.127
flat angles P-C4'-P energy: -2.972
tors. eta vs tors. theta energy: -3.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -31.337445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.337445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.337445 (E_RNA)
where:
Base-Base interactions energy: -14.295
where: short stacking energy: -14.295
Base-Backbone interact. energy: -0.000
local terms energy: -17.041954
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -3.755
flat angles C4'-P-C4' energy: -2.103
flat angles P-C4'-P energy: -3.899
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: 4, replica: 4
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -27.475395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.475395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.475395 (E_RNA)
where:
Base-Base interactions energy: -10.470
where: short stacking energy: -10.470
Base-Backbone interact. energy: -0.000
local terms energy: -17.005004
where:
bonds (distance) C4'-P energy: -3.691
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.760
flat angles P-C4'-P energy: -3.028
tors. eta vs tors. theta energy: -1.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -37.061704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.061704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.061704 (E_RNA)
where:
Base-Base interactions energy: -16.035
where: short stacking energy: -16.035
Base-Backbone interact. energy: -0.000
local terms energy: -21.026273
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.603
flat angles C4'-P-C4' energy: -4.627
flat angles P-C4'-P energy: -2.819
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: 6, replica: 9
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -29.004190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.004190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.004190 (E_RNA)
where:
Base-Base interactions energy: -11.113
where: short stacking energy: -11.113
Base-Backbone interact. energy: -0.000
local terms energy: -17.891545
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.728
flat angles P-C4'-P energy: -3.314
tors. eta vs tors. theta energy: -2.183
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: 7
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -25.078110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.078110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.078110 (E_RNA)
where:
Base-Base interactions energy: -7.786
where: short stacking energy: -7.786
Base-Backbone interact. energy: 0.020
local terms energy: -17.312457
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -4.600
flat angles C4'-P-C4' energy: -3.866
flat angles P-C4'-P energy: -3.862
tors. eta vs tors. theta energy: -0.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -24.045928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.045928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.045928 (E_RNA)
where:
Base-Base interactions energy: -7.443
where: short stacking energy: -7.443
Base-Backbone interact. energy: -0.000
local terms energy: -16.602317
where:
bonds (distance) C4'-P energy: -3.541
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.379
flat angles P-C4'-P energy: -1.573
tors. eta vs tors. theta energy: -1.758
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: 9, replica: 3
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -23.272265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.272265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.272265 (E_RNA)
where:
Base-Base interactions energy: -9.609
where: short stacking energy: -9.609
Base-Backbone interact. energy: -0.000
local terms energy: -13.663555
where:
bonds (distance) C4'-P energy: -3.815
bonds (distance) P-C4' energy: -3.815
flat angles C4'-P-C4' energy: -2.924
flat angles P-C4'-P energy: -0.811
tors. eta vs tors. theta energy: -2.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -27.374402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.374402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.374402 (E_RNA)
where:
Base-Base interactions energy: -9.105
where: short stacking energy: -9.105
Base-Backbone interact. energy: -0.000
local terms energy: -18.269463
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.327
flat angles P-C4'-P energy: -2.668
tors. eta vs tors. theta energy: -2.873
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: 1, replica: 5
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -40.474242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.474242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.474242 (E_RNA)
where:
Base-Base interactions energy: -18.045
where: short stacking energy: -18.045
Base-Backbone interact. energy: -0.000
local terms energy: -22.428970
where:
bonds (distance) C4'-P energy: -3.575
bonds (distance) P-C4' energy: -5.104
flat angles C4'-P-C4' energy: -4.519
flat angles P-C4'-P energy: -3.636
tors. eta vs tors. theta energy: -5.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -27.969903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.969903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.969903 (E_RNA)
where:
Base-Base interactions energy: -9.614
where: short stacking energy: -9.614
Base-Backbone interact. energy: -0.000
local terms energy: -18.356329
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -3.818
flat angles C4'-P-C4' energy: -3.908
flat angles P-C4'-P energy: -2.924
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: 3, replica: 10
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -31.640725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.640725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.640725 (E_RNA)
where:
Base-Base interactions energy: -13.831
where: short stacking energy: -7.370
Base-Backbone interact. energy: -0.092
local terms energy: -17.718353
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.731
flat angles P-C4'-P energy: -2.481
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: 4, replica: 8
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -32.028277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.028277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.028277 (E_RNA)
where:
Base-Base interactions energy: -13.028
where: short stacking energy: -13.028
Base-Backbone interact. energy: -0.000
local terms energy: -19.000215
where:
bonds (distance) C4'-P energy: -3.363
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.815
flat angles P-C4'-P energy: -3.437
tors. eta vs tors. theta energy: -3.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -26.638309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.638309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.638309 (E_RNA)
where:
Base-Base interactions energy: -8.535
where: short stacking energy: -8.535
Base-Backbone interact. energy: -0.001
local terms energy: -18.102614
where:
bonds (distance) C4'-P energy: -3.869
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -4.943
flat angles P-C4'-P energy: -3.721
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: 6, replica: 7
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -25.253450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.253450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.253450 (E_RNA)
where:
Base-Base interactions energy: -8.635
where: short stacking energy: -8.635
Base-Backbone interact. energy: -0.016
local terms energy: -16.602147
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.909
flat angles P-C4'-P energy: -2.290
tors. eta vs tors. theta energy: -2.186
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: 9
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -29.443431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.443431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.443431 (E_RNA)
where:
Base-Base interactions energy: -12.623
where: short stacking energy: -12.623
Base-Backbone interact. energy: -0.000
local terms energy: -16.820662
where:
bonds (distance) C4'-P energy: -1.807
bonds (distance) P-C4' energy: -4.656
flat angles C4'-P-C4' energy: -4.131
flat angles P-C4'-P energy: -1.769
tors. eta vs tors. theta energy: -4.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -27.931939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.931939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.931939 (E_RNA)
where:
Base-Base interactions energy: -9.901
where: short stacking energy: -9.901
Base-Backbone interact. energy: -0.000
local terms energy: -18.030792
where:
bonds (distance) C4'-P energy: -3.421
bonds (distance) P-C4' energy: -3.398
flat angles C4'-P-C4' energy: -3.813
flat angles P-C4'-P energy: -3.004
tors. eta vs tors. theta energy: -4.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -25.972338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.972338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.972338 (E_RNA)
where:
Base-Base interactions energy: -7.741
where: short stacking energy: -7.741
Base-Backbone interact. energy: -0.011
local terms energy: -18.220446
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.521
flat angles P-C4'-P energy: -3.988
tors. eta vs tors. theta energy: -0.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -25.429404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.429404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.429404 (E_RNA)
where:
Base-Base interactions energy: -11.604
where: short stacking energy: -11.604
Base-Backbone interact. energy: -0.000
local terms energy: -13.825350
where:
bonds (distance) C4'-P energy: -3.318
bonds (distance) P-C4' energy: -2.649
flat angles C4'-P-C4' energy: -4.066
flat angles P-C4'-P energy: -0.641
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: 1, replica: 6
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -33.869758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.869758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.869758 (E_RNA)
where:
Base-Base interactions energy: -13.284
where: short stacking energy: -13.284
Base-Backbone interact. energy: -0.000
local terms energy: -20.585595
where:
bonds (distance) C4'-P energy: -3.417
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.466
flat angles P-C4'-P energy: -2.683
tors. eta vs tors. theta energy: -4.664
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: 2, replica: 5
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -34.790800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.790800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.790800 (E_RNA)
where:
Base-Base interactions energy: -17.158
where: short stacking energy: -17.158
Base-Backbone interact. energy: -0.000
local terms energy: -17.633221
where:
bonds (distance) C4'-P energy: -2.387
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.306
flat angles P-C4'-P energy: -3.174
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: 3, replica: 8
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -29.450742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.450742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.450742 (E_RNA)
where:
Base-Base interactions energy: -10.094
where: short stacking energy: -10.094
Base-Backbone interact. energy: -0.000
local terms energy: -19.357079
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.184
flat angles P-C4'-P energy: -3.735
tors. eta vs tors. theta energy: -2.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -33.504292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.504292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.504292 (E_RNA)
where:
Base-Base interactions energy: -12.925
where: short stacking energy: -12.925
Base-Backbone interact. energy: -0.000
local terms energy: -20.579744
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.438
flat angles P-C4'-P energy: -3.574
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: 5, replica: 7
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -28.730293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.730293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.730293 (E_RNA)
where:
Base-Base interactions energy: -12.626
where: short stacking energy: -12.626
Base-Backbone interact. energy: -0.000
local terms energy: -16.104009
where:
bonds (distance) C4'-P energy: -3.372
bonds (distance) P-C4' energy: -3.755
flat angles C4'-P-C4' energy: -4.430
flat angles P-C4'-P energy: -2.534
tors. eta vs tors. theta energy: -2.014
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: 6, replica: 4
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -31.770465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.770465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.770465 (E_RNA)
where:
Base-Base interactions energy: -15.574
where: short stacking energy: -15.574
Base-Backbone interact. energy: -0.000
local terms energy: -16.196956
where:
bonds (distance) C4'-P energy: -1.803
bonds (distance) P-C4' energy: -2.525
flat angles C4'-P-C4' energy: -4.662
flat angles P-C4'-P energy: -2.014
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: 7, replica: 3
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -27.112749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.112749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.112749 (E_RNA)
where:
Base-Base interactions energy: -11.677
where: short stacking energy: -11.677
Base-Backbone interact. energy: -0.003
local terms energy: -15.432795
where:
bonds (distance) C4'-P energy: -2.842
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -2.660
flat angles P-C4'-P energy: -3.113
tors. eta vs tors. theta energy: -1.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -26.222248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.222248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.222248 (E_RNA)
where:
Base-Base interactions energy: -8.768
where: short stacking energy: -9.468
Base-Backbone interact. energy: -0.001
local terms energy: -17.453088
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.644
flat angles P-C4'-P energy: -2.584
tors. eta vs tors. theta energy: -1.562
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: 2
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -24.520481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.520481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.520481 (E_RNA)
where:
Base-Base interactions energy: -7.871
where: short stacking energy: -7.871
Base-Backbone interact. energy: -0.000
local terms energy: -16.649517
where:
bonds (distance) C4'-P energy: -2.271
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -2.682
flat angles P-C4'-P energy: -3.119
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: 10, replica: 1
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -23.048331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.048331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.048331 (E_RNA)
where:
Base-Base interactions energy: -8.464
where: short stacking energy: -8.464
Base-Backbone interact. energy: -0.000
local terms energy: -14.584020
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -2.972
flat angles C4'-P-C4' energy: -4.383
flat angles P-C4'-P energy: -1.437
tors. eta vs tors. theta energy: -1.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -40.680830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.680830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.680830 (E_RNA)
where:
Base-Base interactions energy: -17.785
where: short stacking energy: -17.785
Base-Backbone interact. energy: -0.000
local terms energy: -22.895748
where:
bonds (distance) C4'-P energy: -4.038
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.428
flat angles P-C4'-P energy: -3.594
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: 2, replica: 8
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -37.363634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.363634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.363634 (E_RNA)
where:
Base-Base interactions energy: -17.649
where: short stacking energy: -17.649
Base-Backbone interact. energy: -0.000
local terms energy: -19.714830
where:
bonds (distance) C4'-P energy: -4.427
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -4.222
flat angles P-C4'-P energy: -2.782
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: 3, replica: 5
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -32.183146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.183146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.183146 (E_RNA)
where:
Base-Base interactions energy: -15.044
where: short stacking energy: -15.044
Base-Backbone interact. energy: -0.000
local terms energy: -17.139174
where:
bonds (distance) C4'-P energy: -3.753
bonds (distance) P-C4' energy: -3.036
flat angles C4'-P-C4' energy: -3.464
flat angles P-C4'-P energy: -2.099
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: 4, replica: 7
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -35.311002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.311002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.311002 (E_RNA)
where:
Base-Base interactions energy: -16.366
where: short stacking energy: -16.366
Base-Backbone interact. energy: -0.000
local terms energy: -18.944487
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -4.410
flat angles C4'-P-C4' energy: -4.176
flat angles P-C4'-P energy: -2.244
tors. eta vs tors. theta energy: -3.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -26.714251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.714251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.714251 (E_RNA)
where:
Base-Base interactions energy: -8.868
where: short stacking energy: -8.868
Base-Backbone interact. energy: -0.000
local terms energy: -17.845956
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -4.138
flat angles P-C4'-P energy: -1.721
tors. eta vs tors. theta energy: -2.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -24.940652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.940652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.940652 (E_RNA)
where:
Base-Base interactions energy: -9.112
where: short stacking energy: -9.112
Base-Backbone interact. energy: -0.000
local terms energy: -15.828587
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -2.831
flat angles P-C4'-P energy: -3.271
tors. eta vs tors. theta energy: -0.090
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: 7, replica: 4
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -29.972905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.972905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.972905 (E_RNA)
where:
Base-Base interactions energy: -14.128
where: short stacking energy: -14.128
Base-Backbone interact. energy: -0.000
local terms energy: -15.845277
where:
bonds (distance) C4'-P energy: -3.691
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.926
flat angles P-C4'-P energy: -1.513
tors. eta vs tors. theta energy: -1.594
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: 8, replica: 2
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -22.997258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.997258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.997258 (E_RNA)
where:
Base-Base interactions energy: -11.891
where: short stacking energy: -4.727
Base-Backbone interact. energy: -0.100
local terms energy: -11.005914
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: 2.113
flat angles P-C4'-P energy: -0.905
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: 9, replica: 9
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -26.471747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.471747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.471747 (E_RNA)
where:
Base-Base interactions energy: -10.674
where: short stacking energy: -10.674
Base-Backbone interact. energy: -0.000
local terms energy: -15.797281
where:
bonds (distance) C4'-P energy: -2.867
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -3.327
flat angles P-C4'-P energy: -2.675
tors. eta vs tors. theta energy: -2.064
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: 10, replica: 1
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -24.951222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.951222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.951222 (E_RNA)
where:
Base-Base interactions energy: -7.180
where: short stacking energy: -5.870
Base-Backbone interact. energy: -0.002
local terms energy: -17.769426
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -3.811
flat angles C4'-P-C4' energy: -4.065
flat angles P-C4'-P energy: -3.042
tors. eta vs tors. theta energy: -2.449
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: 1, replica: 8
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -36.533092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.533092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.533092 (E_RNA)
where:
Base-Base interactions energy: -15.144
where: short stacking energy: -15.144
Base-Backbone interact. energy: -0.000
local terms energy: -21.388767
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -4.115
flat angles P-C4'-P energy: -3.110
tors. eta vs tors. theta energy: -5.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -33.994051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.994051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.994051 (E_RNA)
where:
Base-Base interactions energy: -15.307
where: short stacking energy: -15.307
Base-Backbone interact. energy: -0.000
local terms energy: -18.687518
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -2.490
flat angles P-C4'-P energy: -3.253
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: 3, replica: 7
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -33.930872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.930872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.930872 (E_RNA)
where:
Base-Base interactions energy: -16.286
where: short stacking energy: -16.286
Base-Backbone interact. energy: -0.000
local terms energy: -17.644814
where:
bonds (distance) C4'-P energy: -2.263
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -3.938
flat angles P-C4'-P energy: -2.847
tors. eta vs tors. theta energy: -3.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -36.502163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.502163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.502163 (E_RNA)
where:
Base-Base interactions energy: -16.273
where: short stacking energy: -16.273
Base-Backbone interact. energy: -0.000
local terms energy: -20.229216
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -3.790
flat angles C4'-P-C4' energy: -3.109
flat angles P-C4'-P energy: -3.777
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: 5, replica: 3
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -31.612470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.612470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.612470 (E_RNA)
where:
Base-Base interactions energy: -11.723
where: short stacking energy: -11.723
Base-Backbone interact. energy: -0.000
local terms energy: -19.889816
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -3.984
flat angles C4'-P-C4' energy: -3.869
flat angles P-C4'-P energy: -3.042
tors. eta vs tors. theta energy: -4.895
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: 10
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -28.474727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.474727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.474727 (E_RNA)
where:
Base-Base interactions energy: -12.623
where: short stacking energy: -12.623
Base-Backbone interact. energy: -0.000
local terms energy: -15.851218
where:
bonds (distance) C4'-P energy: -2.121
bonds (distance) P-C4' energy: -3.966
flat angles C4'-P-C4' energy: -2.142
flat angles P-C4'-P energy: -2.604
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: 7, replica: 2
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -33.198519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.198519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.198519 (E_RNA)
where:
Base-Base interactions energy: -12.577
where: short stacking energy: -9.595
Base-Backbone interact. energy: -1.714
local terms energy: -18.907055
where:
bonds (distance) C4'-P energy: -3.699
bonds (distance) P-C4' energy: -4.051
flat angles C4'-P-C4' energy: -3.603
flat angles P-C4'-P energy: -4.051
tors. eta vs tors. theta energy: -3.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -34.669378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.669378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.669378 (E_RNA)
where:
Base-Base interactions energy: -14.770
where: short stacking energy: -14.770
Base-Backbone interact. energy: -0.000
local terms energy: -19.899432
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -4.392
flat angles C4'-P-C4' energy: -4.220
flat angles P-C4'-P energy: -3.305
tors. eta vs tors. theta energy: -3.990
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: 1
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -24.851723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.851723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.851723 (E_RNA)
where:
Base-Base interactions energy: -7.523
where: short stacking energy: -7.523
Base-Backbone interact. energy: -0.000
local terms energy: -17.328141
where:
bonds (distance) C4'-P energy: -2.788
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -2.027
flat angles P-C4'-P energy: -3.092
tors. eta vs tors. theta energy: -4.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -25.612893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.612893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.612893 (E_RNA)
where:
Base-Base interactions energy: -12.514
where: short stacking energy: -12.514
Base-Backbone interact. energy: -0.000
local terms energy: -13.099333
where:
bonds (distance) C4'-P energy: -0.433
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -2.819
flat angles P-C4'-P energy: -2.690
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: 1, replica: 8
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -32.127952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.127952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.127952 (E_RNA)
where:
Base-Base interactions energy: -11.449
where: short stacking energy: -11.449
Base-Backbone interact. energy: -0.000
local terms energy: -20.679002
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -4.104
flat angles P-C4'-P energy: -2.660
tors. eta vs tors. theta energy: -4.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -30.962145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.962145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.962145 (E_RNA)
where:
Base-Base interactions energy: -17.102
where: short stacking energy: -17.102
Base-Backbone interact. energy: -0.000
local terms energy: -13.859839
where:
bonds (distance) C4'-P energy: -3.185
bonds (distance) P-C4' energy: -3.202
flat angles C4'-P-C4' energy: -2.930
flat angles P-C4'-P energy: -1.835
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: 3, replica: 6
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -37.215136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.215136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.215136 (E_RNA)
where:
Base-Base interactions energy: -16.165
where: short stacking energy: -16.165
Base-Backbone interact. energy: -0.000
local terms energy: -21.050093
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -3.998
flat angles P-C4'-P energy: -3.290
tors. eta vs tors. theta energy: -4.922
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: 3
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -31.672590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.672590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.672590 (E_RNA)
where:
Base-Base interactions energy: -15.218
where: short stacking energy: -10.927
Base-Backbone interact. energy: -0.011
local terms energy: -16.443156
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.346
flat angles C4'-P-C4' energy: -3.884
flat angles P-C4'-P energy: -3.244
tors. eta vs tors. theta energy: -0.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -29.744212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.744212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.744212 (E_RNA)
where:
Base-Base interactions energy: -12.550
where: short stacking energy: -5.396
Base-Backbone interact. energy: -0.001
local terms energy: -17.192601
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.678
flat angles P-C4'-P energy: -3.136
tors. eta vs tors. theta energy: 0.258
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: 2
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -29.839958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.839958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.839958 (E_RNA)
where:
Base-Base interactions energy: -12.258
where: short stacking energy: -12.258
Base-Backbone interact. energy: -0.000
local terms energy: -17.581429
where:
bonds (distance) C4'-P energy: -3.247
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -3.665
flat angles P-C4'-P energy: -1.754
tors. eta vs tors. theta energy: -3.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -24.777102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.777102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.777102 (E_RNA)
where:
Base-Base interactions energy: -12.277
where: short stacking energy: -12.277
Base-Backbone interact. energy: -0.000
local terms energy: -12.500428
where:
bonds (distance) C4'-P energy: -2.614
bonds (distance) P-C4' energy: -2.032
flat angles C4'-P-C4' energy: -3.171
flat angles P-C4'-P energy: -1.870
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: 283
Temperature: 1.250000
Total energy: -27.346186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.346186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.346186 (E_RNA)
where:
Base-Base interactions energy: -12.070
where: short stacking energy: -12.070
Base-Backbone interact. energy: -0.001
local terms energy: -15.275822
where:
bonds (distance) C4'-P energy: -1.675
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -4.135
flat angles P-C4'-P energy: -3.375
tors. eta vs tors. theta energy: -1.256
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: 4
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -25.299242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.299242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.299242 (E_RNA)
where:
Base-Base interactions energy: -8.457
where: short stacking energy: -8.457
Base-Backbone interact. energy: -0.000
local terms energy: -16.842056
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.593
flat angles P-C4'-P energy: -1.514
tors. eta vs tors. theta energy: -2.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -23.960422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.960422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.960422 (E_RNA)
where:
Base-Base interactions energy: -8.348
where: short stacking energy: -8.348
Base-Backbone interact. energy: -0.000
local terms energy: -15.611956
where:
bonds (distance) C4'-P energy: -1.604
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.555
flat angles P-C4'-P energy: -3.020
tors. eta vs tors. theta energy: -1.765
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: 7
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -39.077666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.077666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.077666 (E_RNA)
where:
Base-Base interactions energy: -18.166
where: short stacking energy: -18.166
Base-Backbone interact. energy: -0.000
local terms energy: -20.912007
where:
bonds (distance) C4'-P energy: -4.163
bonds (distance) P-C4' energy: -4.174
flat angles C4'-P-C4' energy: -3.441
flat angles P-C4'-P energy: -3.825
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: 2, replica: 8
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -35.477326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.477326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.477326 (E_RNA)
where:
Base-Base interactions energy: -13.977
where: short stacking energy: -13.977
Base-Backbone interact. energy: -0.000
local terms energy: -21.500081
where:
bonds (distance) C4'-P energy: -3.363
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.200
flat angles P-C4'-P energy: -4.102
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: 3, replica: 3
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -30.399550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.399550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.399550 (E_RNA)
where:
Base-Base interactions energy: -14.212
where: short stacking energy: -14.212
Base-Backbone interact. energy: -0.000
local terms energy: -16.187820
where:
bonds (distance) C4'-P energy: -3.861
bonds (distance) P-C4' energy: -3.082
flat angles C4'-P-C4' energy: -3.773
flat angles P-C4'-P energy: -2.101
tors. eta vs tors. theta energy: -3.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -33.802794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.802794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.802794 (E_RNA)
where:
Base-Base interactions energy: -11.867
where: short stacking energy: -11.867
Base-Backbone interact. energy: -0.000
local terms energy: -21.936289
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.235
flat angles P-C4'-P energy: -3.510
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: 5, replica: 2
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -25.805017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.805017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.805017 (E_RNA)
where:
Base-Base interactions energy: -10.002
where: short stacking energy: -10.002
Base-Backbone interact. energy: -0.000
local terms energy: -15.802751
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -3.417
flat angles P-C4'-P energy: -2.972
tors. eta vs tors. theta energy: -0.757
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: 5
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -25.593694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.593694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.593694 (E_RNA)
where:
Base-Base interactions energy: -10.397
where: short stacking energy: -8.597
Base-Backbone interact. energy: -0.041
local terms energy: -15.155987
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -4.047
flat angles C4'-P-C4' energy: -4.574
flat angles P-C4'-P energy: -3.008
tors. eta vs tors. theta energy: 0.590
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: 284
Temperature: 1.200000
Total energy: -31.485520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.485520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.485520 (E_RNA)
where:
Base-Base interactions energy: -10.997
where: short stacking energy: -10.997
Base-Backbone interact. energy: -0.000
local terms energy: -20.488980
where:
bonds (distance) C4'-P energy: -4.332
bonds (distance) P-C4' energy: -5.361
flat angles C4'-P-C4' energy: -3.633
flat angles P-C4'-P energy: -3.673
tors. eta vs tors. theta energy: -3.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -23.312866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.312866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.312866 (E_RNA)
where:
Base-Base interactions energy: -6.322
where: short stacking energy: -6.322
Base-Backbone interact. energy: -0.000
local terms energy: -16.991360
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.953
flat angles P-C4'-P energy: -2.562
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: 9, replica: 9
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -24.035738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.035738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.035738 (E_RNA)
where:
Base-Base interactions energy: -8.935
where: short stacking energy: -8.935
Base-Backbone interact. energy: -0.001
local terms energy: -15.099105
where:
bonds (distance) C4'-P energy: -2.565
bonds (distance) P-C4' energy: -4.047
flat angles C4'-P-C4' energy: -4.666
flat angles P-C4'-P energy: -2.207
tors. eta vs tors. theta energy: -1.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -21.548102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.548102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.548102 (E_RNA)
where:
Base-Base interactions energy: -7.671
where: short stacking energy: -7.671
Base-Backbone interact. energy: -0.000
local terms energy: -13.877369
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -2.777
flat angles P-C4'-P energy: -2.622
tors. eta vs tors. theta energy: 0.857
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: 7
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -38.451004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.451004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.451004 (E_RNA)
where:
Base-Base interactions energy: -18.242
where: short stacking energy: -18.242
Base-Backbone interact. energy: -0.000
local terms energy: -20.209043
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.215
flat angles P-C4'-P energy: -3.881
tors. eta vs tors. theta energy: -3.678
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: 3
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -33.257214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.257214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.257214 (E_RNA)
where:
Base-Base interactions energy: -12.453
where: short stacking energy: -12.453
Base-Backbone interact. energy: -0.000
local terms energy: -20.803754
where:
bonds (distance) C4'-P energy: -3.637
bonds (distance) P-C4' energy: -3.784
flat angles C4'-P-C4' energy: -4.487
flat angles P-C4'-P energy: -3.696
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: 3, replica: 8
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -35.037731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.037731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.037731 (E_RNA)
where:
Base-Base interactions energy: -14.125
where: short stacking energy: -14.125
Base-Backbone interact. energy: -0.000
local terms energy: -20.913086
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.839
flat angles C4'-P-C4' energy: -4.662
flat angles P-C4'-P energy: -1.963
tors. eta vs tors. theta energy: -5.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -33.192287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.192287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.192287 (E_RNA)
where:
Base-Base interactions energy: -16.166
where: short stacking energy: -16.166
Base-Backbone interact. energy: -0.000
local terms energy: -17.025974
where:
bonds (distance) C4'-P energy: -2.805
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -3.656
flat angles P-C4'-P energy: -1.988
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: 5, replica: 6
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -28.816551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.816551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.816551 (E_RNA)
where:
Base-Base interactions energy: -12.414
where: short stacking energy: -12.414
Base-Backbone interact. energy: -0.000
local terms energy: -16.402532
where:
bonds (distance) C4'-P energy: -1.935
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.231
flat angles P-C4'-P energy: -2.100
tors. eta vs tors. theta energy: -3.043
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: 1
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -31.731304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.731304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.731304 (E_RNA)
where:
Base-Base interactions energy: -11.927
where: short stacking energy: -11.927
Base-Backbone interact. energy: -0.000
local terms energy: -19.803868
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.346
flat angles P-C4'-P energy: -3.636
tors. eta vs tors. theta energy: -2.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -25.992784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.992784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.992784 (E_RNA)
where:
Base-Base interactions energy: -8.019
where: short stacking energy: -8.019
Base-Backbone interact. energy: -0.001
local terms energy: -17.973191
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -5.361
flat angles C4'-P-C4' energy: -4.422
flat angles P-C4'-P energy: -2.927
tors. eta vs tors. theta energy: -1.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -34.821802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.821802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.821802 (E_RNA)
where:
Base-Base interactions energy: -16.617
where: short stacking energy: -16.617
Base-Backbone interact. energy: -0.000
local terms energy: -18.205041
where:
bonds (distance) C4'-P energy: -3.070
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.782
flat angles P-C4'-P energy: -2.689
tors. eta vs tors. theta energy: -3.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -27.454965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.454965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.454965 (E_RNA)
where:
Base-Base interactions energy: -9.638
where: short stacking energy: -9.638
Base-Backbone interact. energy: -0.000
local terms energy: -17.816432
where:
bonds (distance) C4'-P energy: -3.566
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -2.217
flat angles P-C4'-P energy: -3.306
tors. eta vs tors. theta energy: -3.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -26.804911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.804911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.804911 (E_RNA)
where:
Base-Base interactions energy: -11.178
where: short stacking energy: -11.178
Base-Backbone interact. energy: -0.000
local terms energy: -15.627305
where:
bonds (distance) C4'-P energy: -3.036
bonds (distance) P-C4' energy: -4.051
flat angles C4'-P-C4' energy: -1.745
flat angles P-C4'-P energy: -3.498
tors. eta vs tors. theta energy: -3.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -37.900979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.900979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.900979 (E_RNA)
where:
Base-Base interactions energy: -18.293
where: short stacking energy: -18.293
Base-Backbone interact. energy: -0.000
local terms energy: -19.608350
where:
bonds (distance) C4'-P energy: -1.719
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.636
flat angles P-C4'-P energy: -3.814
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: 2, replica: 7
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -36.524539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.524539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.524539 (E_RNA)
where:
Base-Base interactions energy: -15.517
where: short stacking energy: -15.517
Base-Backbone interact. energy: -0.000
local terms energy: -21.007223
where:
bonds (distance) C4'-P energy: -4.303
bonds (distance) P-C4' energy: -4.406
flat angles C4'-P-C4' energy: -4.148
flat angles P-C4'-P energy: -3.306
tors. eta vs tors. theta energy: -4.843
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: 2
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -36.810533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.810533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.810533 (E_RNA)
where:
Base-Base interactions energy: -17.176
where: short stacking energy: -17.176
Base-Backbone interact. energy: -0.000
local terms energy: -19.634849
where:
bonds (distance) C4'-P energy: -3.773
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.224
flat angles P-C4'-P energy: -2.894
tors. eta vs tors. theta energy: -4.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -28.982814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.982814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.982814 (E_RNA)
where:
Base-Base interactions energy: -9.127
where: short stacking energy: -9.127
Base-Backbone interact. energy: -0.000
local terms energy: -19.855703
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -4.268
flat angles P-C4'-P energy: -2.844
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: 5, replica: 1
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -32.260711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.260711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.260711 (E_RNA)
where:
Base-Base interactions energy: -15.249
where: short stacking energy: -15.249
Base-Backbone interact. energy: -0.000
local terms energy: -17.011707
where:
bonds (distance) C4'-P energy: -2.237
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -3.302
flat angles P-C4'-P energy: -3.643
tors. eta vs tors. theta energy: -3.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -29.166739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.166739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.166739 (E_RNA)
where:
Base-Base interactions energy: -12.481
where: short stacking energy: -12.481
Base-Backbone interact. energy: -0.000
local terms energy: -16.685248
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -4.413
flat angles C4'-P-C4' energy: -3.621
flat angles P-C4'-P energy: -1.989
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: 7, replica: 5
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -27.962605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.962605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.962605 (E_RNA)
where:
Base-Base interactions energy: -11.685
where: short stacking energy: -11.310
Base-Backbone interact. energy: -0.000
local terms energy: -16.277919
where:
bonds (distance) C4'-P energy: -3.185
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -2.512
flat angles P-C4'-P energy: -3.300
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: 286
Temperature: 1.250000
Total energy: -30.961677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.961677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.961677 (E_RNA)
where:
Base-Base interactions energy: -13.696
where: short stacking energy: -13.696
Base-Backbone interact. energy: -0.000
local terms energy: -17.265933
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -3.324
flat angles C4'-P-C4' energy: -4.149
flat angles P-C4'-P energy: -3.065
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: 9, replica: 4
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -24.051858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.051858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.051858 (E_RNA)
where:
Base-Base interactions energy: -9.327
where: short stacking energy: -9.327
Base-Backbone interact. energy: -0.093
local terms energy: -14.632060
where:
bonds (distance) C4'-P energy: -3.773
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -1.775
flat angles P-C4'-P energy: -2.459
tors. eta vs tors. theta energy: -1.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -29.630076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.630076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.630076 (E_RNA)
where:
Base-Base interactions energy: -11.675
where: short stacking energy: -11.675
Base-Backbone interact. energy: -0.000
local terms energy: -17.955187
where:
bonds (distance) C4'-P energy: -3.558
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -3.686
flat angles P-C4'-P energy: -2.268
tors. eta vs tors. theta energy: -3.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -31.800239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.800239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.800239 (E_RNA)
where:
Base-Base interactions energy: -13.747
where: short stacking energy: -13.747
Base-Backbone interact. energy: -0.000
local terms energy: -18.053418
where:
bonds (distance) C4'-P energy: -4.055
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.697
flat angles P-C4'-P energy: -1.809
tors. eta vs tors. theta energy: -2.138
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: 7
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -31.882973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.882973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.882973 (E_RNA)
where:
Base-Base interactions energy: -10.739
where: short stacking energy: -10.739
Base-Backbone interact. energy: -0.000
local terms energy: -21.144045
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.892
flat angles C4'-P-C4' energy: -4.732
flat angles P-C4'-P energy: -3.359
tors. eta vs tors. theta energy: -3.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -34.576968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.576968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.576968 (E_RNA)
where:
Base-Base interactions energy: -17.894
where: short stacking energy: -11.172
Base-Backbone interact. energy: -0.001
local terms energy: -16.681650
where:
bonds (distance) C4'-P energy: -3.036
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -2.554
flat angles P-C4'-P energy: -3.387
tors. eta vs tors. theta energy: -2.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -30.958608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.958608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.958608 (E_RNA)
where:
Base-Base interactions energy: -12.896
where: short stacking energy: -12.896
Base-Backbone interact. energy: -0.000
local terms energy: -18.063105
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.365
flat angles P-C4'-P energy: -2.010
tors. eta vs tors. theta energy: -3.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -33.293380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.293380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.293380 (E_RNA)
where:
Base-Base interactions energy: -14.621
where: short stacking energy: -14.621
Base-Backbone interact. energy: -0.000
local terms energy: -18.671922
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.407
flat angles P-C4'-P energy: -2.272
tors. eta vs tors. theta energy: -3.273
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: 5
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -31.810561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.810561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.810561 (E_RNA)
where:
Base-Base interactions energy: -15.185
where: short stacking energy: -15.185
Base-Backbone interact. energy: -0.000
local terms energy: -16.625919
where:
bonds (distance) C4'-P energy: -2.892
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -4.305
flat angles P-C4'-P energy: -1.235
tors. eta vs tors. theta energy: -3.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -26.495836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.495836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.495836 (E_RNA)
where:
Base-Base interactions energy: -10.439
where: short stacking energy: -10.439
Base-Backbone interact. energy: -0.018
local terms energy: -16.039366
where:
bonds (distance) C4'-P energy: -0.121
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.255
flat angles P-C4'-P energy: -3.189
tors. eta vs tors. theta energy: -3.352
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: 4
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -25.521549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.521549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.521549 (E_RNA)
where:
Base-Base interactions energy: -6.610
where: short stacking energy: -6.610
Base-Backbone interact. energy: -0.000
local terms energy: -18.911108
where:
bonds (distance) C4'-P energy: -3.815
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -4.126
flat angles P-C4'-P energy: -3.345
tors. eta vs tors. theta energy: -2.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -28.531919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.531919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.531919 (E_RNA)
where:
Base-Base interactions energy: -8.927
where: short stacking energy: -8.927
Base-Backbone interact. energy: -0.000
local terms energy: -19.605143
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.820
flat angles P-C4'-P energy: -2.418
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: 10
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -24.959620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.959620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.959620 (E_RNA)
where:
Base-Base interactions energy: -7.160
where: short stacking energy: -7.160
Base-Backbone interact. energy: -0.000
local terms energy: -17.799165
where:
bonds (distance) C4'-P energy: -2.395
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.467
flat angles P-C4'-P energy: -3.319
tors. eta vs tors. theta energy: -3.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -33.265760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.265760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.265760 (E_RNA)
where:
Base-Base interactions energy: -16.626
where: short stacking energy: -16.626
Base-Backbone interact. energy: -0.000
local terms energy: -16.639341
where:
bonds (distance) C4'-P energy: -2.681
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.266
flat angles P-C4'-P energy: -2.896
tors. eta vs tors. theta energy: -2.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -37.295305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.295305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.295305 (E_RNA)
where:
Base-Base interactions energy: -15.100
where: short stacking energy: -15.100
Base-Backbone interact. energy: -0.000
local terms energy: -22.195047
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.349
flat angles P-C4'-P energy: -3.976
tors. eta vs tors. theta energy: -4.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -29.509874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.509874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.509874 (E_RNA)
where:
Base-Base interactions energy: -11.792
where: short stacking energy: -11.792
Base-Backbone interact. energy: -0.001
local terms energy: -17.717188
where:
bonds (distance) C4'-P energy: -4.038
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -4.119
flat angles P-C4'-P energy: -2.685
tors. eta vs tors. theta energy: -2.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -29.957383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.957383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.957383 (E_RNA)
where:
Base-Base interactions energy: -11.823
where: short stacking energy: -11.823
Base-Backbone interact. energy: -0.000
local terms energy: -18.134598
where:
bonds (distance) C4'-P energy: -3.815
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.720
flat angles P-C4'-P energy: -3.835
tors. eta vs tors. theta energy: -1.671
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: 288
Temperature: 1.100000
Total energy: -26.507189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.507189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.507189 (E_RNA)
where:
Base-Base interactions energy: -11.333
where: short stacking energy: -7.411
Base-Backbone interact. energy: -0.085
local terms energy: -15.089344
where:
bonds (distance) C4'-P energy: -4.055
bonds (distance) P-C4' energy: -3.969
flat angles C4'-P-C4' energy: -4.276
flat angles P-C4'-P energy: -2.408
tors. eta vs tors. theta energy: -0.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -31.577064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.577064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.577064 (E_RNA)
where:
Base-Base interactions energy: -11.787
where: short stacking energy: -11.787
Base-Backbone interact. energy: -0.000
local terms energy: -19.790344
where:
bonds (distance) C4'-P energy: -3.789
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -4.237
flat angles P-C4'-P energy: -2.159
tors. eta vs tors. theta energy: -5.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -31.502645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.502645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.502645 (E_RNA)
where:
Base-Base interactions energy: -12.797
where: short stacking energy: -12.797
Base-Backbone interact. energy: -0.000
local terms energy: -18.705141
where:
bonds (distance) C4'-P energy: -2.918
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -4.540
flat angles P-C4'-P energy: -2.853
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: 6
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -23.933907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.933907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.933907 (E_RNA)
where:
Base-Base interactions energy: -6.690
where: short stacking energy: -2.267
Base-Backbone interact. energy: -1.055
local terms energy: -16.188693
where:
bonds (distance) C4'-P energy: -4.154
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.701
flat angles P-C4'-P energy: -3.509
tors. eta vs tors. theta energy: 0.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -25.560428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.560428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.560428 (E_RNA)
where:
Base-Base interactions energy: -8.026
where: short stacking energy: -8.026
Base-Backbone interact. energy: -0.007
local terms energy: -17.527523
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -4.761
flat angles P-C4'-P energy: -3.107
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: 9
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -29.031261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.031261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.031261 (E_RNA)
where:
Base-Base interactions energy: -12.034
where: short stacking energy: -12.034
Base-Backbone interact. energy: -0.000
local terms energy: -16.996984
where:
bonds (distance) C4'-P energy: -3.479
bonds (distance) P-C4' energy: -3.981
flat angles C4'-P-C4' energy: -3.339
flat angles P-C4'-P energy: -1.675
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: 1, replica: 7
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -30.573308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.573308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.573308 (E_RNA)
where:
Base-Base interactions energy: -12.410
where: short stacking energy: -12.410
Base-Backbone interact. energy: -0.000
local terms energy: -18.163062
where:
bonds (distance) C4'-P energy: -2.975
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.104
flat angles P-C4'-P energy: -2.183
tors. eta vs tors. theta energy: -3.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -31.576054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.576054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.576054 (E_RNA)
where:
Base-Base interactions energy: -10.533
where: short stacking energy: -10.533
Base-Backbone interact. energy: -0.000
local terms energy: -21.043443
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -4.570
flat angles P-C4'-P energy: -3.173
tors. eta vs tors. theta energy: -4.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -32.025319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.025319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.025319 (E_RNA)
where:
Base-Base interactions energy: -12.841
where: short stacking energy: -12.841
Base-Backbone interact. energy: -0.000
local terms energy: -19.184399
where:
bonds (distance) C4'-P energy: -4.634
bonds (distance) P-C4' energy: -3.553
flat angles C4'-P-C4' energy: -4.746
flat angles P-C4'-P energy: -3.189
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: 4, replica: 5
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -27.369460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.369460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.369460 (E_RNA)
where:
Base-Base interactions energy: -11.841
where: short stacking energy: -11.841
Base-Backbone interact. energy: -0.000
local terms energy: -15.528581
where:
bonds (distance) C4'-P energy: -3.753
bonds (distance) P-C4' energy: -3.811
flat angles C4'-P-C4' energy: -3.230
flat angles P-C4'-P energy: -3.136
tors. eta vs tors. theta energy: -1.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -33.804908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.804908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.804908 (E_RNA)
where:
Base-Base interactions energy: -12.604
where: short stacking energy: -12.604
Base-Backbone interact. energy: -0.000
local terms energy: -21.201402
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.800
flat angles P-C4'-P energy: -3.593
tors. eta vs tors. theta energy: -4.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -27.243316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.243316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.243316 (E_RNA)
where:
Base-Base interactions energy: -9.681
where: short stacking energy: -9.681
Base-Backbone interact. energy: -0.000
local terms energy: -17.562435
where:
bonds (distance) C4'-P energy: -1.757
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.604
flat angles P-C4'-P energy: -1.853
tors. eta vs tors. theta energy: -4.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -35.442761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.442761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.442761 (E_RNA)
where:
Base-Base interactions energy: -16.148
where: short stacking energy: -16.148
Base-Backbone interact. energy: -0.000
local terms energy: -19.295110
where:
bonds (distance) C4'-P energy: -3.061
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.345
flat angles P-C4'-P energy: -2.645
tors. eta vs tors. theta energy: -3.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -26.336999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.336999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.336999 (E_RNA)
where:
Base-Base interactions energy: -8.870
where: short stacking energy: -8.870
Base-Backbone interact. energy: -0.000
local terms energy: -17.467100
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -2.715
flat angles P-C4'-P energy: -1.833
tors. eta vs tors. theta energy: -3.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -26.969280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.969280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.969280 (E_RNA)
where:
Base-Base interactions energy: -11.864
where: short stacking energy: -11.864
Base-Backbone interact. energy: -0.001
local terms energy: -15.103974
where:
bonds (distance) C4'-P energy: -3.699
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -4.002
flat angles P-C4'-P energy: 1.335
tors. eta vs tors. theta energy: -3.648
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: 9
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -31.469467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.469467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.469467 (E_RNA)
where:
Base-Base interactions energy: -14.476
where: short stacking energy: -14.476
Base-Backbone interact. energy: -0.000
local terms energy: -16.993295
where:
bonds (distance) C4'-P energy: -2.503
bonds (distance) P-C4' energy: -4.174
flat angles C4'-P-C4' energy: -4.256
flat angles P-C4'-P energy: -1.923
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: 3
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -32.319573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.319573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.319573 (E_RNA)
where:
Base-Base interactions energy: -11.379
where: short stacking energy: -11.379
Base-Backbone interact. energy: -0.011
local terms energy: -20.930073
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -4.683
flat angles P-C4'-P energy: -3.302
tors. eta vs tors. theta energy: -3.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -35.092331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.092331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.092331 (E_RNA)
where:
Base-Base interactions energy: -17.453
where: short stacking energy: -17.453
Base-Backbone interact. energy: -0.000
local terms energy: -17.639621
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -2.931
flat angles P-C4'-P energy: -2.213
tors. eta vs tors. theta energy: -3.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -31.116464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.116464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.116464 (E_RNA)
where:
Base-Base interactions energy: -12.467
where: short stacking energy: -12.467
Base-Backbone interact. energy: -0.000
local terms energy: -18.649208
where:
bonds (distance) C4'-P energy: -3.161
bonds (distance) P-C4' energy: -3.891
flat angles C4'-P-C4' energy: -4.905
flat angles P-C4'-P energy: -3.672
tors. eta vs tors. theta energy: -3.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -31.051502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.051502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.051502 (E_RNA)
where:
Base-Base interactions energy: -13.723
where: short stacking energy: -13.723
Base-Backbone interact. energy: -0.000
local terms energy: -17.328715
where:
bonds (distance) C4'-P energy: -4.038
bonds (distance) P-C4' energy: -4.051
flat angles C4'-P-C4' energy: -4.095
flat angles P-C4'-P energy: -3.606
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: 5, replica: 4
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -33.336600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.336600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.336600 (E_RNA)
where:
Base-Base interactions energy: -11.459
where: short stacking energy: -11.459
Base-Backbone interact. energy: -0.000
local terms energy: -21.877947
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.903
flat angles P-C4'-P energy: -3.403
tors. eta vs tors. theta energy: -5.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -33.047152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.047152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.047152 (E_RNA)
where:
Base-Base interactions energy: -14.226
where: short stacking energy: -14.226
Base-Backbone interact. energy: -0.000
local terms energy: -18.820810
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -4.410
flat angles C4'-P-C4' energy: -3.708
flat angles P-C4'-P energy: -2.702
tors. eta vs tors. theta energy: -4.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -24.057069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.057069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.057069 (E_RNA)
where:
Base-Base interactions energy: -7.607
where: short stacking energy: -7.607
Base-Backbone interact. energy: -0.030
local terms energy: -16.420431
where:
bonds (distance) C4'-P energy: -4.154
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.279
flat angles P-C4'-P energy: -2.974
tors. eta vs tors. theta energy: 0.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -31.068628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.068628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.068628 (E_RNA)
where:
Base-Base interactions energy: -15.166
where: short stacking energy: -8.435
Base-Backbone interact. energy: -0.007
local terms energy: -15.895353
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -3.576
flat angles P-C4'-P energy: -3.093
tors. eta vs tors. theta energy: 0.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -22.953292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.953292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.953292 (E_RNA)
where:
Base-Base interactions energy: -10.045
where: short stacking energy: -10.045
Base-Backbone interact. energy: -0.000
local terms energy: -12.908171
where:
bonds (distance) C4'-P energy: -2.423
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -3.673
flat angles P-C4'-P energy: 0.391
tors. eta vs tors. theta energy: -2.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -26.446012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.446012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.446012 (E_RNA)
where:
Base-Base interactions energy: -9.908
where: short stacking energy: -9.908
Base-Backbone interact. energy: -0.001
local terms energy: -16.537128
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -3.359
flat angles P-C4'-P energy: -3.008
tors. eta vs tors. theta energy: -0.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -35.994680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.994680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.994680 (E_RNA)
where:
Base-Base interactions energy: -16.767
where: short stacking energy: -16.767
Base-Backbone interact. energy: -0.000
local terms energy: -19.227349
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -3.916
flat angles C4'-P-C4' energy: -3.957
flat angles P-C4'-P energy: -3.691
tors. eta vs tors. theta energy: -3.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -34.467957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.467957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.467957 (E_RNA)
where:
Base-Base interactions energy: -16.675
where: short stacking energy: -16.675
Base-Backbone interact. energy: -0.000
local terms energy: -17.792835
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -3.523
flat angles C4'-P-C4' energy: -3.908
flat angles P-C4'-P energy: -3.056
tors. eta vs tors. theta energy: -3.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -38.147867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.147867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.147867 (E_RNA)
where:
Base-Base interactions energy: -16.878
where: short stacking energy: -16.878
Base-Backbone interact. energy: -0.000
local terms energy: -21.269766
where:
bonds (distance) C4'-P energy: -4.233
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.595
flat angles P-C4'-P energy: -2.427
tors. eta vs tors. theta energy: -5.129
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: 4
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -37.556018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.556018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.556018 (E_RNA)
where:
Base-Base interactions energy: -17.848
where: short stacking energy: -17.848
Base-Backbone interact. energy: -0.000
local terms energy: -19.707618
where:
bonds (distance) C4'-P energy: -3.815
bonds (distance) P-C4' energy: -4.572
flat angles C4'-P-C4' energy: -3.254
flat angles P-C4'-P energy: -3.929
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: 5, replica: 1
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -31.471076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.471076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.471076 (E_RNA)
where:
Base-Base interactions energy: -11.272
where: short stacking energy: -11.272
Base-Backbone interact. energy: -0.000
local terms energy: -20.198879
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -4.318
flat angles C4'-P-C4' energy: -4.261
flat angles P-C4'-P energy: -3.678
tors. eta vs tors. theta energy: -4.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -31.524338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.524338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.524338 (E_RNA)
where:
Base-Base interactions energy: -13.998
where: short stacking energy: -13.998
Base-Backbone interact. energy: -0.000
local terms energy: -17.526731
where:
bonds (distance) C4'-P energy: -3.053
bonds (distance) P-C4' energy: -4.649
flat angles C4'-P-C4' energy: -4.082
flat angles P-C4'-P energy: -2.894
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: 7, replica: 2
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -28.763459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.763459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.763459 (E_RNA)
where:
Base-Base interactions energy: -10.313
where: short stacking energy: -10.313
Base-Backbone interact. energy: -0.026
local terms energy: -18.423991
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.392
flat angles C4'-P-C4' energy: -3.444
flat angles P-C4'-P energy: -2.951
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: 8, replica: 9
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -31.258773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.258773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.258773 (E_RNA)
where:
Base-Base interactions energy: -13.632
where: short stacking energy: -13.632
Base-Backbone interact. energy: -0.000
local terms energy: -17.626366
where:
bonds (distance) C4'-P energy: -2.626
bonds (distance) P-C4' energy: -4.839
flat angles C4'-P-C4' energy: -4.520
flat angles P-C4'-P energy: -2.732
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: 9, replica: 8
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -27.342648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.342648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.342648 (E_RNA)
where:
Base-Base interactions energy: -10.432
where: short stacking energy: -10.432
Base-Backbone interact. energy: -0.000
local terms energy: -16.910523
where:
bonds (distance) C4'-P energy: -2.797
bonds (distance) P-C4' energy: -3.518
flat angles C4'-P-C4' energy: -4.074
flat angles P-C4'-P energy: -2.813
tors. eta vs tors. theta energy: -3.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -24.103351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.103351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.103351 (E_RNA)
where:
Base-Base interactions energy: -7.192
where: short stacking energy: -7.192
Base-Backbone interact. energy: -0.000
local terms energy: -16.910953
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -2.851
flat angles P-C4'-P energy: -3.843
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: 5
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -33.071719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.071719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.071719 (E_RNA)
where:
Base-Base interactions energy: -14.529
where: short stacking energy: -14.529
Base-Backbone interact. energy: -0.000
local terms energy: -18.542737
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -3.987
flat angles C4'-P-C4' energy: -4.786
flat angles P-C4'-P energy: -3.207
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: 2, replica: 3
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -33.927694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.927694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.927694 (E_RNA)
where:
Base-Base interactions energy: -15.849
where: short stacking energy: -15.849
Base-Backbone interact. energy: -0.000
local terms energy: -18.078669
where:
bonds (distance) C4'-P energy: -2.014
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -2.958
flat angles P-C4'-P energy: -2.916
tors. eta vs tors. theta energy: -5.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -31.246959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.246959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.246959 (E_RNA)
where:
Base-Base interactions energy: -14.747
where: short stacking energy: -12.251
Base-Backbone interact. energy: -0.000
local terms energy: -16.500213
where:
bonds (distance) C4'-P energy: -3.753
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -2.586
flat angles P-C4'-P energy: -1.938
tors. eta vs tors. theta energy: -2.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -32.238036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.238036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.238036 (E_RNA)
where:
Base-Base interactions energy: -13.975
where: short stacking energy: -13.975
Base-Backbone interact. energy: -0.000
local terms energy: -18.262544
where:
bonds (distance) C4'-P energy: -1.492
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.314
flat angles P-C4'-P energy: -3.644
tors. eta vs tors. theta energy: -4.377
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: 10
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -28.447585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.447585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.447585 (E_RNA)
where:
Base-Base interactions energy: -8.645
where: short stacking energy: -8.645
Base-Backbone interact. energy: -0.000
local terms energy: -19.803077
where:
bonds (distance) C4'-P energy: -3.637
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -3.908
flat angles P-C4'-P energy: -3.739
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: 6, replica: 1
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -34.466878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.466878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.466878 (E_RNA)
where:
Base-Base interactions energy: -16.013
where: short stacking energy: -16.013
Base-Backbone interact. energy: -0.000
local terms energy: -18.453949
where:
bonds (distance) C4'-P energy: -3.691
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -3.777
flat angles P-C4'-P energy: -0.919
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: 7, replica: 9
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -31.920524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.920524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.920524 (E_RNA)
where:
Base-Base interactions energy: -12.012
where: short stacking energy: -12.012
Base-Backbone interact. energy: -0.004
local terms energy: -19.904575
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.845
flat angles P-C4'-P energy: -3.998
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: 8, replica: 2
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -29.765428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.765428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.765428 (E_RNA)
where:
Base-Base interactions energy: -12.136
where: short stacking energy: -12.136
Base-Backbone interact. energy: -0.000
local terms energy: -17.628990
where:
bonds (distance) C4'-P energy: -4.038
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.129
flat angles P-C4'-P energy: -2.802
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: 6
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -24.549853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.549853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.549853 (E_RNA)
where:
Base-Base interactions energy: -8.801
where: short stacking energy: -8.801
Base-Backbone interact. energy: -0.000
local terms energy: -15.748416
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -3.475
flat angles C4'-P-C4' energy: -4.455
flat angles P-C4'-P energy: -3.235
tors. eta vs tors. theta energy: -0.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -27.622477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.622477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.622477 (E_RNA)
where:
Base-Base interactions energy: -10.244
where: short stacking energy: -10.244
Base-Backbone interact. energy: -0.000
local terms energy: -17.378172
where:
bonds (distance) C4'-P energy: -3.699
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -3.586
flat angles P-C4'-P energy: 0.477
tors. eta vs tors. theta energy: -5.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -34.095439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.095439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.095439 (E_RNA)
where:
Base-Base interactions energy: -14.328
where: short stacking energy: -14.328
Base-Backbone interact. energy: -0.000
local terms energy: -19.767147
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -4.148
flat angles P-C4'-P energy: -3.777
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: 2, replica: 4
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -32.246753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.246753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.246753 (E_RNA)
where:
Base-Base interactions energy: -12.243
where: short stacking energy: -12.243
Base-Backbone interact. energy: -0.000
local terms energy: -20.003952
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.466
flat angles P-C4'-P energy: -3.903
tors. eta vs tors. theta energy: -2.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -32.405483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.405483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.405483 (E_RNA)
where:
Base-Base interactions energy: -17.353
where: short stacking energy: -17.353
Base-Backbone interact. energy: -0.000
local terms energy: -15.052279
where:
bonds (distance) C4'-P energy: -3.277
bonds (distance) P-C4' energy: -3.821
flat angles C4'-P-C4' energy: -2.848
flat angles P-C4'-P energy: -1.666
tors. eta vs tors. theta energy: -3.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -24.274314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.274314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.274314 (E_RNA)
where:
Base-Base interactions energy: -9.883
where: short stacking energy: -9.857
Base-Backbone interact. energy: -0.829
local terms energy: -13.561892
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -3.966
flat angles C4'-P-C4' energy: -3.517
flat angles P-C4'-P energy: -0.759
tors. eta vs tors. theta energy: -0.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -29.417084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.417084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.417084 (E_RNA)
where:
Base-Base interactions energy: -10.952
where: short stacking energy: -10.952
Base-Backbone interact. energy: -0.000
local terms energy: -18.464799
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.051
flat angles C4'-P-C4' energy: -3.126
flat angles P-C4'-P energy: -3.643
tors. eta vs tors. theta energy: -3.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -30.715891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.715891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.715891 (E_RNA)
where:
Base-Base interactions energy: -13.242
where: short stacking energy: -13.242
Base-Backbone interact. energy: -0.000
local terms energy: -17.473731
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.082
flat angles P-C4'-P energy: -2.540
tors. eta vs tors. theta energy: -1.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -28.566957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.566957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.566957 (E_RNA)
where:
Base-Base interactions energy: -13.788
where: short stacking energy: -7.074
Base-Backbone interact. energy: -0.001
local terms energy: -14.778140
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -3.321
flat angles C4'-P-C4' energy: -4.117
flat angles P-C4'-P energy: -3.035
tors. eta vs tors. theta energy: -0.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -30.834282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.834282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.834282 (E_RNA)
where:
Base-Base interactions energy: -16.288
where: short stacking energy: -10.417
Base-Backbone interact. energy: -0.000
local terms energy: -14.546260
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -3.332
flat angles C4'-P-C4' energy: -2.785
flat angles P-C4'-P energy: -3.775
tors. eta vs tors. theta energy: -0.724
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: 2
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -27.072762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.072762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.072762 (E_RNA)
where:
Base-Base interactions energy: -11.595
where: short stacking energy: -11.595
Base-Backbone interact. energy: -0.000
local terms energy: -15.478228
where:
bonds (distance) C4'-P energy: -2.954
bonds (distance) P-C4' energy: -3.420
flat angles C4'-P-C4' energy: -4.487
flat angles P-C4'-P energy: -1.806
tors. eta vs tors. theta energy: -2.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -24.086941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.086941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.086941 (E_RNA)
where:
Base-Base interactions energy: -9.757
where: short stacking energy: -9.757
Base-Backbone interact. energy: -0.001
local terms energy: -14.328736
where:
bonds (distance) C4'-P energy: -3.363
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -1.956
flat angles P-C4'-P energy: -3.160
tors. eta vs tors. theta energy: -0.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -38.398558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.398558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.398558 (E_RNA)
where:
Base-Base interactions energy: -17.399
where: short stacking energy: -17.399
Base-Backbone interact. energy: -0.000
local terms energy: -20.999332
where:
bonds (distance) C4'-P energy: -3.513
bonds (distance) P-C4' energy: -4.867
flat angles C4'-P-C4' energy: -4.207
flat angles P-C4'-P energy: -3.420
tors. eta vs tors. theta energy: -4.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -36.798338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.798338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.798338 (E_RNA)
where:
Base-Base interactions energy: -17.079
where: short stacking energy: -17.079
Base-Backbone interact. energy: -0.000
local terms energy: -19.719597
where:
bonds (distance) C4'-P energy: -4.163
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -4.303
flat angles P-C4'-P energy: -1.820
tors. eta vs tors. theta energy: -5.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -37.557984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.557984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.557984 (E_RNA)
where:
Base-Base interactions energy: -15.669
where: short stacking energy: -15.669
Base-Backbone interact. energy: -0.000
local terms energy: -21.888665
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -4.487
flat angles P-C4'-P energy: -3.383
tors. eta vs tors. theta energy: -4.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -24.236427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.236427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.236427 (E_RNA)
where:
Base-Base interactions energy: -7.998
where: short stacking energy: -7.998
Base-Backbone interact. energy: -0.000
local terms energy: -16.238722
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -2.867
flat angles C4'-P-C4' energy: -4.199
flat angles P-C4'-P energy: -4.003
tors. eta vs tors. theta energy: -1.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -28.746144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.746144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.746144 (E_RNA)
where:
Base-Base interactions energy: -13.597
where: short stacking energy: -13.597
Base-Backbone interact. energy: -0.021
local terms energy: -15.128231
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -3.116
flat angles P-C4'-P energy: -2.448
tors. eta vs tors. theta energy: -0.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -23.969181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.969181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.969181 (E_RNA)
where:
Base-Base interactions energy: -9.268
where: short stacking energy: -8.320
Base-Backbone interact. energy: -0.120
local terms energy: -14.581340
where:
bonds (distance) C4'-P energy: -3.745
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -2.114
flat angles P-C4'-P energy: -3.002
tors. eta vs tors. theta energy: -1.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -34.233520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.233520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.233520 (E_RNA)
where:
Base-Base interactions energy: -16.071
where: short stacking energy: -16.071
Base-Backbone interact. energy: -0.000
local terms energy: -18.162605
where:
bonds (distance) C4'-P energy: -2.325
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -4.240
flat angles P-C4'-P energy: -2.597
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: 9
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -26.626165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.626165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.626165 (E_RNA)
where:
Base-Base interactions energy: -9.660
where: short stacking energy: -9.660
Base-Backbone interact. energy: -0.000
local terms energy: -16.966056
where:
bonds (distance) C4'-P energy: -3.140
bonds (distance) P-C4' energy: -3.395
flat angles C4'-P-C4' energy: -4.173
flat angles P-C4'-P energy: -2.302
tors. eta vs tors. theta energy: -3.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -26.437574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.437574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.437574 (E_RNA)
where:
Base-Base interactions energy: -9.042
where: short stacking energy: -9.042
Base-Backbone interact. energy: -0.000
local terms energy: -17.395288
where:
bonds (distance) C4'-P energy: -3.708
bonds (distance) P-C4' energy: -4.202
flat angles C4'-P-C4' energy: -3.999
flat angles P-C4'-P energy: -1.141
tors. eta vs tors. theta energy: -4.345
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: 8
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -22.967164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.967164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.967164 (E_RNA)
where:
Base-Base interactions energy: -5.075
where: short stacking energy: -5.075
Base-Backbone interact. energy: -0.000
local terms energy: -17.892475
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.796
flat angles P-C4'-P energy: -3.051
tors. eta vs tors. theta energy: -1.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -32.016504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.016504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.016504 (E_RNA)
where:
Base-Base interactions energy: -14.631
where: short stacking energy: -14.631
Base-Backbone interact. energy: -0.000
local terms energy: -17.385641
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -3.751
flat angles C4'-P-C4' energy: -3.625
flat angles P-C4'-P energy: -3.240
tors. eta vs tors. theta energy: -2.483
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: 2, replica: 10
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -30.203304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.203304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.203304 (E_RNA)
where:
Base-Base interactions energy: -12.103
where: short stacking energy: -12.103
Base-Backbone interact. energy: -0.000
local terms energy: -18.100769
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.406
flat angles C4'-P-C4' energy: -3.654
flat angles P-C4'-P energy: -3.057
tors. eta vs tors. theta energy: -2.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -31.425341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.425341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.425341 (E_RNA)
where:
Base-Base interactions energy: -13.868
where: short stacking energy: -13.868
Base-Backbone interact. energy: -0.000
local terms energy: -17.557000
where:
bonds (distance) C4'-P energy: -2.928
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -3.761
flat angles P-C4'-P energy: -2.152
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: 4, replica: 1
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -35.029203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.029203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.029203 (E_RNA)
where:
Base-Base interactions energy: -19.690
where: short stacking energy: -7.990
Base-Backbone interact. energy: -0.000
local terms energy: -15.338579
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -3.280
flat angles P-C4'-P energy: -2.038
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: 5, replica: 3
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -35.157941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.157941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.157941 (E_RNA)
where:
Base-Base interactions energy: -17.364
where: short stacking energy: -17.364
Base-Backbone interact. energy: -0.000
local terms energy: -17.794280
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -2.983
flat angles P-C4'-P energy: -2.689
tors. eta vs tors. theta energy: -3.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -32.455178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.455178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.455178 (E_RNA)
where:
Base-Base interactions energy: -11.785
where: short stacking energy: -11.785
Base-Backbone interact. energy: -0.000
local terms energy: -20.669862
where:
bonds (distance) C4'-P energy: -3.363
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.027
flat angles P-C4'-P energy: -3.813
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: 7, replica: 7
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -25.879812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.879812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.879812 (E_RNA)
where:
Base-Base interactions energy: -8.594
where: short stacking energy: -5.068
Base-Backbone interact. energy: -0.109
local terms energy: -17.176641
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.892
flat angles C4'-P-C4' energy: -3.987
flat angles P-C4'-P energy: -2.836
tors. eta vs tors. theta energy: -0.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -24.948484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.948484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.948484 (E_RNA)
where:
Base-Base interactions energy: -9.275
where: short stacking energy: -9.275
Base-Backbone interact. energy: -0.000
local terms energy: -15.673938
where:
bonds (distance) C4'-P energy: -3.541
bonds (distance) P-C4' energy: -2.628
flat angles C4'-P-C4' energy: -4.721
flat angles P-C4'-P energy: -3.384
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: 9, replica: 9
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -28.235584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.235584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.235584 (E_RNA)
where:
Base-Base interactions energy: -12.254
where: short stacking energy: -12.254
Base-Backbone interact. energy: -0.000
local terms energy: -15.981607
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -2.444
flat angles C4'-P-C4' energy: -4.269
flat angles P-C4'-P energy: -2.023
tors. eta vs tors. theta energy: -2.728
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: 8
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -24.908178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.908178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.908178 (E_RNA)
where:
Base-Base interactions energy: -8.311
where: short stacking energy: -8.311
Base-Backbone interact. energy: -0.010
local terms energy: -16.587045
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -2.444
flat angles P-C4'-P energy: -2.978
tors. eta vs tors. theta energy: -1.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -37.462171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.462171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.462171 (E_RNA)
where:
Base-Base interactions energy: -17.740
where: short stacking energy: -17.740
Base-Backbone interact. energy: -0.000
local terms energy: -19.721901
where:
bonds (distance) C4'-P energy: -3.281
bonds (distance) P-C4' energy: -4.634
flat angles C4'-P-C4' energy: -3.175
flat angles P-C4'-P energy: -3.835
tors. eta vs tors. theta energy: -4.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -34.197914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.197914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.197914 (E_RNA)
where:
Base-Base interactions energy: -13.717
where: short stacking energy: -13.717
Base-Backbone interact. energy: -0.000
local terms energy: -20.480960
where:
bonds (distance) C4'-P energy: -4.055
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -3.976
flat angles P-C4'-P energy: -3.759
tors. eta vs tors. theta energy: -3.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -32.335756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.335756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.335756 (E_RNA)
where:
Base-Base interactions energy: -13.072
where: short stacking energy: -13.072
Base-Backbone interact. energy: -0.000
local terms energy: -19.263617
where:
bonds (distance) C4'-P energy: -3.161
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -4.378
flat angles P-C4'-P energy: -2.049
tors. eta vs tors. theta energy: -4.580
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: 5
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -26.822549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.822549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.822549 (E_RNA)
where:
Base-Base interactions energy: -13.372
where: short stacking energy: -13.372
Base-Backbone interact. energy: -0.001
local terms energy: -13.449980
where:
bonds (distance) C4'-P energy: -2.518
bonds (distance) P-C4' energy: -3.367
flat angles C4'-P-C4' energy: -2.922
flat angles P-C4'-P energy: -2.106
tors. eta vs tors. theta energy: -2.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -27.544385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.544385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.544385 (E_RNA)
where:
Base-Base interactions energy: -8.873
where: short stacking energy: -8.873
Base-Backbone interact. energy: -0.000
local terms energy: -18.671519
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.867
flat angles C4'-P-C4' energy: -4.211
flat angles P-C4'-P energy: -3.151
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: 6, replica: 3
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -36.392859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.392859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.392859 (E_RNA)
where:
Base-Base interactions energy: -16.773
where: short stacking energy: -16.773
Base-Backbone interact. energy: -0.000
local terms energy: -19.620033
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -3.450
flat angles P-C4'-P energy: -1.569
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: 7, replica: 2
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -25.824711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.824711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.824711 (E_RNA)
where:
Base-Base interactions energy: -9.719
where: short stacking energy: -9.719
Base-Backbone interact. energy: -0.008
local terms energy: -16.098123
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -3.811
flat angles C4'-P-C4' energy: -3.531
flat angles P-C4'-P energy: -2.852
tors. eta vs tors. theta energy: -1.804
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: 7
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -30.658844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.658844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.658844 (E_RNA)
where:
Base-Base interactions energy: -11.506
where: short stacking energy: -11.506
Base-Backbone interact. energy: -0.000
local terms energy: -19.152867
where:
bonds (distance) C4'-P energy: -2.580
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.396
flat angles P-C4'-P energy: -3.286
tors. eta vs tors. theta energy: -3.536
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: 9
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -29.917636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.917636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.917636 (E_RNA)
where:
Base-Base interactions energy: -10.637
where: short stacking energy: -10.637
Base-Backbone interact. energy: -0.000
local terms energy: -19.281082
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -3.896
flat angles P-C4'-P energy: -3.023
tors. eta vs tors. theta energy: -3.410
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: 8
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -22.549438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.549438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.549438 (E_RNA)
where:
Base-Base interactions energy: -7.216
where: short stacking energy: -8.216
Base-Backbone interact. energy: -0.003
local terms energy: -15.330895
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -2.292
flat angles P-C4'-P energy: -3.054
tors. eta vs tors. theta energy: -1.334
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: 1, replica: 10
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -34.566557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.566557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.566557 (E_RNA)
where:
Base-Base interactions energy: -15.739
where: short stacking energy: -15.739
Base-Backbone interact. energy: -0.000
local terms energy: -18.827889
where:
bonds (distance) C4'-P energy: -3.745
bonds (distance) P-C4' energy: -4.177
flat angles C4'-P-C4' energy: -4.801
flat angles P-C4'-P energy: -1.058
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: 2, replica: 1
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -38.171720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.171720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.171720 (E_RNA)
where:
Base-Base interactions energy: -16.079
where: short stacking energy: -16.079
Base-Backbone interact. energy: -0.000
local terms energy: -22.092780
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -4.449
flat angles P-C4'-P energy: -3.324
tors. eta vs tors. theta energy: -5.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -35.965588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.965588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.965588 (E_RNA)
where:
Base-Base interactions energy: -16.187
where: short stacking energy: -16.187
Base-Backbone interact. energy: -0.000
local terms energy: -19.778153
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -2.979
flat angles P-C4'-P energy: -2.343
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: 4, replica: 6
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -31.018149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.018149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.018149 (E_RNA)
where:
Base-Base interactions energy: -11.716
where: short stacking energy: -11.716
Base-Backbone interact. energy: -0.000
local terms energy: -19.302318
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -3.892
flat angles C4'-P-C4' energy: -3.970
flat angles P-C4'-P energy: -3.995
tors. eta vs tors. theta energy: -2.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -30.953273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.953273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.953273 (E_RNA)
where:
Base-Base interactions energy: -12.833
where: short stacking energy: -12.833
Base-Backbone interact. energy: -0.001
local terms energy: -18.119228
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.505
flat angles P-C4'-P energy: -2.102
tors. eta vs tors. theta energy: -2.107
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: 2
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -30.929969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.929969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.929969 (E_RNA)
where:
Base-Base interactions energy: -13.444
where: short stacking energy: -13.444
Base-Backbone interact. energy: -0.000
local terms energy: -17.485992
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -3.310
flat angles P-C4'-P energy: -2.577
tors. eta vs tors. theta energy: -2.327
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: 297
Temperature: 1.200000
Total energy: -28.035904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.035904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.035904 (E_RNA)
where:
Base-Base interactions energy: -13.506
where: short stacking energy: -13.506
Base-Backbone interact. energy: -0.000
local terms energy: -14.529573
where:
bonds (distance) C4'-P energy: -3.363
bonds (distance) P-C4' energy: -3.134
flat angles C4'-P-C4' energy: -4.395
flat angles P-C4'-P energy: -2.023
tors. eta vs tors. theta energy: -1.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -21.271275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.271275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.271275 (E_RNA)
where:
Base-Base interactions energy: -7.309
where: short stacking energy: -7.309
Base-Backbone interact. energy: -0.024
local terms energy: -13.938331
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.410
flat angles C4'-P-C4' energy: -2.988
flat angles P-C4'-P energy: -2.955
tors. eta vs tors. theta energy: 0.524
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: 297
Temperature: 1.300000
Total energy: -27.718212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.718212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.718212 (E_RNA)
where:
Base-Base interactions energy: -11.576
where: short stacking energy: -7.850
Base-Backbone interact. energy: -0.009
local terms energy: -16.133230
where:
bonds (distance) C4'-P energy: -3.301
bonds (distance) P-C4' energy: -3.984
flat angles C4'-P-C4' energy: -3.267
flat angles P-C4'-P energy: -3.455
tors. eta vs tors. theta energy: -2.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -24.158558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.158558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.158558 (E_RNA)
where:
Base-Base interactions energy: -13.017
where: short stacking energy: -13.017
Base-Backbone interact. energy: -0.000
local terms energy: -11.141623
where:
bonds (distance) C4'-P energy: -1.600
bonds (distance) P-C4' energy: -2.091
flat angles C4'-P-C4' energy: -2.126
flat angles P-C4'-P energy: -2.160
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: 1, replica: 1
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -34.407992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.407992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.407992 (E_RNA)
where:
Base-Base interactions energy: -12.699
where: short stacking energy: -12.699
Base-Backbone interact. energy: -0.000
local terms energy: -21.709123
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.205
flat angles C4'-P-C4' energy: -4.449
flat angles P-C4'-P energy: -3.969
tors. eta vs tors. theta energy: -4.985
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: 10
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -35.023573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.023573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.023573 (E_RNA)
where:
Base-Base interactions energy: -15.636
where: short stacking energy: -15.636
Base-Backbone interact. energy: -0.000
local terms energy: -19.387562
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -2.646
flat angles C4'-P-C4' energy: -4.216
flat angles P-C4'-P energy: -3.732
tors. eta vs tors. theta energy: -4.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -31.463536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.463536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.463536 (E_RNA)
where:
Base-Base interactions energy: -12.647
where: short stacking energy: -12.647
Base-Backbone interact. energy: -0.000
local terms energy: -18.816596
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -4.202
flat angles C4'-P-C4' energy: -4.453
flat angles P-C4'-P energy: -3.488
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: 4, replica: 6
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -38.042399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.042399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.042399 (E_RNA)
where:
Base-Base interactions energy: -17.297
where: short stacking energy: -17.297
Base-Backbone interact. energy: -0.000
local terms energy: -20.744980
where:
bonds (distance) C4'-P energy: -3.815
bonds (distance) P-C4' energy: -4.628
flat angles C4'-P-C4' energy: -4.544
flat angles P-C4'-P energy: -2.988
tors. eta vs tors. theta energy: -4.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -33.150621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.150621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.150621 (E_RNA)
where:
Base-Base interactions energy: -12.124
where: short stacking energy: -12.124
Base-Backbone interact. energy: -0.000
local terms energy: -21.026675
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -4.305
flat angles P-C4'-P energy: -2.579
tors. eta vs tors. theta energy: -5.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -33.194282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.194282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.194282 (E_RNA)
where:
Base-Base interactions energy: -12.318
where: short stacking energy: -12.318
Base-Backbone interact. energy: -0.000
local terms energy: -20.876443
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -3.134
flat angles C4'-P-C4' energy: -4.210
flat angles P-C4'-P energy: -3.901
tors. eta vs tors. theta energy: -5.229
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: 7, replica: 9
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -27.740015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.740015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.740015 (E_RNA)
where:
Base-Base interactions energy: -10.850
where: short stacking energy: -10.850
Base-Backbone interact. energy: -0.000
local terms energy: -16.890240
where:
bonds (distance) C4'-P energy: -3.645
bonds (distance) P-C4' energy: -4.047
flat angles C4'-P-C4' energy: -3.900
flat angles P-C4'-P energy: -2.242
tors. eta vs tors. theta energy: -3.055
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: 3
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -28.961678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.961678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.961678 (E_RNA)
where:
Base-Base interactions energy: -10.670
where: short stacking energy: -10.670
Base-Backbone interact. energy: -0.001
local terms energy: -18.290451
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -3.557
flat angles C4'-P-C4' energy: -2.891
flat angles P-C4'-P energy: -2.427
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: 9, replica: 8
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -25.136772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.136772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.136772 (E_RNA)
where:
Base-Base interactions energy: -7.407
where: short stacking energy: -7.407
Base-Backbone interact. energy: -0.000
local terms energy: -17.730129
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -3.022
flat angles P-C4'-P energy: -2.510
tors. eta vs tors. theta energy: -2.901
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: 7
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -25.180781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.180781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.180781 (E_RNA)
where:
Base-Base interactions energy: -7.452
where: short stacking energy: -7.452
Base-Backbone interact. energy: -0.090
local terms energy: -17.638498
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.518
flat angles P-C4'-P energy: -3.777
tors. eta vs tors. theta energy: -1.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -39.636154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.636154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.636154 (E_RNA)
where:
Base-Base interactions energy: -17.646
where: short stacking energy: -17.646
Base-Backbone interact. energy: -0.000
local terms energy: -21.990054
where:
bonds (distance) C4'-P energy: -3.699
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.746
flat angles P-C4'-P energy: -2.798
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: 2, replica: 4
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -32.020904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.020904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.020904 (E_RNA)
where:
Base-Base interactions energy: -12.236
where: short stacking energy: -12.236
Base-Backbone interact. energy: -0.000
local terms energy: -19.785148
where:
bonds (distance) C4'-P energy: -4.055
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -4.095
flat angles P-C4'-P energy: -3.057
tors. eta vs tors. theta energy: -3.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -34.345007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.345007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.345007 (E_RNA)
where:
Base-Base interactions energy: -14.187
where: short stacking energy: -14.187
Base-Backbone interact. energy: -0.000
local terms energy: -20.158357
where:
bonds (distance) C4'-P energy: -3.947
bonds (distance) P-C4' energy: -4.603
flat angles C4'-P-C4' energy: -3.698
flat angles P-C4'-P energy: -3.765
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: 4, replica: 2
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -35.518711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.518711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.518711 (E_RNA)
where:
Base-Base interactions energy: -15.912
where: short stacking energy: -15.912
Base-Backbone interact. energy: -0.000
local terms energy: -19.606967
where:
bonds (distance) C4'-P energy: -3.264
bonds (distance) P-C4' energy: -2.845
flat angles C4'-P-C4' energy: -4.662
flat angles P-C4'-P energy: -3.969
tors. eta vs tors. theta energy: -4.867
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: 5, replica: 6
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -33.104790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.104790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.104790 (E_RNA)
where:
Base-Base interactions energy: -16.125
where: short stacking energy: -16.125
Base-Backbone interact. energy: -0.000
local terms energy: -16.979565
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -2.606
flat angles P-C4'-P energy: -1.823
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: 6, replica: 9
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -31.824615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.824615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.824615 (E_RNA)
where:
Base-Base interactions energy: -14.547
where: short stacking energy: -14.547
Base-Backbone interact. energy: -0.000
local terms energy: -17.277256
where:
bonds (distance) C4'-P energy: -3.095
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -3.184
flat angles P-C4'-P energy: -2.702
tors. eta vs tors. theta energy: -3.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -29.228482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.228482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.228482 (E_RNA)
where:
Base-Base interactions energy: -12.982
where: short stacking energy: -12.982
Base-Backbone interact. energy: -0.000
local terms energy: -16.246011
where:
bonds (distance) C4'-P energy: -1.612
bonds (distance) P-C4' energy: -4.441
flat angles C4'-P-C4' energy: -3.116
flat angles P-C4'-P energy: -3.547
tors. eta vs tors. theta energy: -3.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -31.825331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.825331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.825331 (E_RNA)
where:
Base-Base interactions energy: -11.759
where: short stacking energy: -11.759
Base-Backbone interact. energy: -0.000
local terms energy: -20.066286
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.173
flat angles P-C4'-P energy: -3.617
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: 3
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -25.283208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.283208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.283208 (E_RNA)
where:
Base-Base interactions energy: -9.158
where: short stacking energy: -9.158
Base-Backbone interact. energy: -0.000
local terms energy: -16.125055
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.205
flat angles P-C4'-P energy: -2.576
tors. eta vs tors. theta energy: -1.026
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: 10, replica: 7
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -27.217631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.217631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.217631 (E_RNA)
where:
Base-Base interactions energy: -10.306
where: short stacking energy: -10.306
Base-Backbone interact. energy: -0.004
local terms energy: -16.907684
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -3.351
flat angles P-C4'-P energy: -3.081
tors. eta vs tors. theta energy: -1.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -32.048552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.048552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.048552 (E_RNA)
where:
Base-Base interactions energy: -14.047
where: short stacking energy: -14.047
Base-Backbone interact. energy: -0.000
local terms energy: -18.001458
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -4.363
flat angles P-C4'-P energy: -2.478
tors. eta vs tors. theta energy: -1.820
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: 300
Temperature: 0.950000
Total energy: -40.192953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.192953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.192953 (E_RNA)
where:
Base-Base interactions energy: -18.053
where: short stacking energy: -18.053
Base-Backbone interact. energy: -0.000
local terms energy: -22.140183
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.177
flat angles C4'-P-C4' energy: -4.731
flat angles P-C4'-P energy: -3.757
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: 3, replica: 2
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -28.296756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.296756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.296756 (E_RNA)
where:
Base-Base interactions energy: -12.506
where: short stacking energy: -12.506
Base-Backbone interact. energy: -0.002
local terms energy: -15.788674
where:
bonds (distance) C4'-P energy: -3.256
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -0.633
flat angles P-C4'-P energy: -3.751
tors. eta vs tors. theta energy: -3.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -32.737137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.737137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.737137 (E_RNA)
where:
Base-Base interactions energy: -18.476
where: short stacking energy: -11.178
Base-Backbone interact. energy: -0.005
local terms energy: -14.256747
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -2.877
flat angles C4'-P-C4' energy: -3.503
flat angles P-C4'-P energy: -2.780
tors. eta vs tors. theta energy: -0.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -28.229666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.229666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.229666 (E_RNA)
where:
Base-Base interactions energy: -9.153
where: short stacking energy: -9.153
Base-Backbone interact. energy: -0.000
local terms energy: -19.076428
where:
bonds (distance) C4'-P energy: -3.363
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -4.279
flat angles P-C4'-P energy: -3.349
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: 6, replica: 6
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -30.070047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.070047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.070047 (E_RNA)
where:
Base-Base interactions energy: -12.343
where: short stacking energy: -9.202
Base-Backbone interact. energy: -0.001
local terms energy: -17.726296
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.008
flat angles P-C4'-P energy: -3.617
tors. eta vs tors. theta energy: -1.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -26.221261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.221261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.221261 (E_RNA)
where:
Base-Base interactions energy: -8.605
where: short stacking energy: -8.605
Base-Backbone interact. energy: -0.000
local terms energy: -17.616615
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -3.139
flat angles P-C4'-P energy: -1.313
tors. eta vs tors. theta energy: -3.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -24.740702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.740702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.740702 (E_RNA)
where:
Base-Base interactions energy: -10.646
where: short stacking energy: -10.646
Base-Backbone interact. energy: -0.011
local terms energy: -14.083493
where:
bonds (distance) C4'-P energy: -2.154
bonds (distance) P-C4' energy: -2.612
flat angles C4'-P-C4' energy: -4.435
flat angles P-C4'-P energy: -3.169
tors. eta vs tors. theta energy: -1.713
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: 9, replica: 7
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -23.949509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.949509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.949509 (E_RNA)
where:
Base-Base interactions energy: -9.767
where: short stacking energy: -9.767
Base-Backbone interact. energy: -0.015
local terms energy: -14.167377
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.370
flat angles C4'-P-C4' energy: -1.794
flat angles P-C4'-P energy: -1.554
tors. eta vs tors. theta energy: -2.340
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: 3
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -28.606366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.606366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.606366 (E_RNA)
where:
Base-Base interactions energy: -10.746
where: short stacking energy: -10.746
Base-Backbone interact. energy: -0.000
local terms energy: -17.860546
where:
bonds (distance) C4'-P energy: -2.796
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.852
flat angles P-C4'-P energy: -1.888
tors. eta vs tors. theta energy: -4.657
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: 4
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -34.319108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.319108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.319108 (E_RNA)
where:
Base-Base interactions energy: -13.093
where: short stacking energy: -13.093
Base-Backbone interact. energy: -0.000
local terms energy: -21.225664
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.642
flat angles P-C4'-P energy: -3.068
tors. eta vs tors. theta energy: -3.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -35.797067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.797067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.797067 (E_RNA)
where:
Base-Base interactions energy: -19.761
where: short stacking energy: -11.505
Base-Backbone interact. energy: -0.005
local terms energy: -16.030745
where:
bonds (distance) C4'-P energy: -3.256
bonds (distance) P-C4' energy: -3.631
flat angles C4'-P-C4' energy: -4.506
flat angles P-C4'-P energy: -3.302
tors. eta vs tors. theta energy: -1.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -34.115010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.115010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.115010 (E_RNA)
where:
Base-Base interactions energy: -15.074
where: short stacking energy: -15.074
Base-Backbone interact. energy: -0.000
local terms energy: -19.040599
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.657
flat angles P-C4'-P energy: -2.420
tors. eta vs tors. theta energy: -3.878
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: 9
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -30.133856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.133856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.133856 (E_RNA)
where:
Base-Base interactions energy: -13.553
where: short stacking energy: -13.553
Base-Backbone interact. energy: -0.001
local terms energy: -16.579100
where:
bonds (distance) C4'-P energy: -2.954
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -4.309
flat angles P-C4'-P energy: -2.383
tors. eta vs tors. theta energy: -2.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -30.170334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.170334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.170334 (E_RNA)
where:
Base-Base interactions energy: -13.227
where: short stacking energy: -13.227
Base-Backbone interact. energy: -0.000
local terms energy: -16.943811
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -3.424
flat angles P-C4'-P energy: -2.255
tors. eta vs tors. theta energy: -1.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -30.886996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.886996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.886996 (E_RNA)
where:
Base-Base interactions energy: -11.777
where: short stacking energy: -11.777
Base-Backbone interact. energy: -0.005
local terms energy: -19.105044
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.221
flat angles P-C4'-P energy: -3.389
tors. eta vs tors. theta energy: -2.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -26.029432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.029432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.029432 (E_RNA)
where:
Base-Base interactions energy: -8.320
where: short stacking energy: -8.320
Base-Backbone interact. energy: -0.001
local terms energy: -17.708776
where:
bonds (distance) C4'-P energy: -3.753
bonds (distance) P-C4' energy: -4.180
flat angles C4'-P-C4' energy: -4.422
flat angles P-C4'-P energy: -2.993
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: 8, replica: 7
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -21.736775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.736775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.736775 (E_RNA)
where:
Base-Base interactions energy: -9.330
where: short stacking energy: -9.330
Base-Backbone interact. energy: -0.004
local terms energy: -12.403663
where:
bonds (distance) C4'-P energy: -2.797
bonds (distance) P-C4' energy: -1.770
flat angles C4'-P-C4' energy: -4.483
flat angles P-C4'-P energy: -2.527
tors. eta vs tors. theta energy: -0.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -27.377093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.377093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.377093 (E_RNA)
where:
Base-Base interactions energy: -12.123
where: short stacking energy: -12.223
Base-Backbone interact. energy: -0.730
local terms energy: -14.523511
where:
bonds (distance) C4'-P energy: -3.567
bonds (distance) P-C4' energy: -4.339
flat angles C4'-P-C4' energy: -4.010
flat angles P-C4'-P energy: -2.049
tors. eta vs tors. theta energy: -0.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -28.829811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.829811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.829811 (E_RNA)
where:
Base-Base interactions energy: -9.495
where: short stacking energy: -9.495
Base-Backbone interact. energy: -0.000
local terms energy: -19.334661
where:
bonds (distance) C4'-P energy: -3.629
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.012
flat angles P-C4'-P energy: -2.867
tors. eta vs tors. theta energy: -3.709
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: 2
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -33.047370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.047370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.047370 (E_RNA)
where:
Base-Base interactions energy: -13.029
where: short stacking energy: -13.029
Base-Backbone interact. energy: -0.000
local terms energy: -20.018835
where:
bonds (distance) C4'-P energy: -2.201
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.273
flat angles P-C4'-P energy: -3.739
tors. eta vs tors. theta energy: -5.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -32.474481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.474481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.474481 (E_RNA)
where:
Base-Base interactions energy: -13.308
where: short stacking energy: -13.308
Base-Backbone interact. energy: -0.002
local terms energy: -19.164702
where:
bonds (distance) C4'-P energy: -2.867
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.676
flat angles P-C4'-P energy: -3.249
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: 3, replica: 9
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -33.284109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.284109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.284109 (E_RNA)
where:
Base-Base interactions energy: -13.236
where: short stacking energy: -13.236
Base-Backbone interact. energy: -0.000
local terms energy: -20.048361
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.624
flat angles C4'-P-C4' energy: -4.589
flat angles P-C4'-P energy: -3.899
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: 4, replica: 1
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -31.789774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.789774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.789774 (E_RNA)
where:
Base-Base interactions energy: -11.520
where: short stacking energy: -11.520
Base-Backbone interact. energy: -0.000
local terms energy: -20.269290
where:
bonds (distance) C4'-P energy: -3.008
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.632
flat angles P-C4'-P energy: -3.843
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: 5, replica: 8
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -36.181140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.181140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.181140 (E_RNA)
where:
Base-Base interactions energy: -16.269
where: short stacking energy: -16.269
Base-Backbone interact. energy: -0.000
local terms energy: -19.911767
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -3.781
flat angles C4'-P-C4' energy: -3.705
flat angles P-C4'-P energy: -3.028
tors. eta vs tors. theta energy: -5.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -32.146742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.146742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.146742 (E_RNA)
where:
Base-Base interactions energy: -12.600
where: short stacking energy: -12.600
Base-Backbone interact. energy: -0.000
local terms energy: -19.546551
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.209
flat angles C4'-P-C4' energy: -3.954
flat angles P-C4'-P energy: -3.433
tors. eta vs tors. theta energy: -3.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -28.352124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.352124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.352124 (E_RNA)
where:
Base-Base interactions energy: -13.385
where: short stacking energy: -13.385
Base-Backbone interact. energy: -0.001
local terms energy: -14.965642
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -3.981
flat angles C4'-P-C4' energy: -1.961
flat angles P-C4'-P energy: -0.433
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: 8, replica: 6
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -28.324419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.324419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.324419 (E_RNA)
where:
Base-Base interactions energy: -9.858
where: short stacking energy: -9.858
Base-Backbone interact. energy: -0.000
local terms energy: -18.466290
where:
bonds (distance) C4'-P energy: -3.823
bonds (distance) P-C4' energy: -3.153
flat angles C4'-P-C4' energy: -3.942
flat angles P-C4'-P energy: -3.374
tors. eta vs tors. theta energy: -4.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -23.299159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.299159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.299159 (E_RNA)
where:
Base-Base interactions energy: -8.322
where: short stacking energy: -8.322
Base-Backbone interact. energy: -0.000
local terms energy: -14.977549
where:
bonds (distance) C4'-P energy: -2.867
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -3.621
flat angles P-C4'-P energy: -1.991
tors. eta vs tors. theta energy: -1.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -24.995208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.995208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.995208 (E_RNA)
where:
Base-Base interactions energy: -11.584
where: short stacking energy: -11.584
Base-Backbone interact. energy: -0.000
local terms energy: -13.410786
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -1.995
flat angles P-C4'-P energy: -0.314
tors. eta vs tors. theta energy: -1.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -34.754666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.754666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.754666 (E_RNA)
where:
Base-Base interactions energy: -13.237
where: short stacking energy: -13.237
Base-Backbone interact. energy: -0.000
local terms energy: -21.517939
where:
bonds (distance) C4'-P energy: -4.303
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -4.430
flat angles P-C4'-P energy: -3.439
tors. eta vs tors. theta energy: -4.220
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: 4
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -36.994712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.994712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.994712 (E_RNA)
where:
Base-Base interactions energy: -18.906
where: short stacking energy: -18.906
Base-Backbone interact. energy: -0.000
local terms energy: -18.089086
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.731
flat angles P-C4'-P energy: -1.807
tors. eta vs tors. theta energy: -3.465
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: 9
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -36.734705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.734705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.734705 (E_RNA)
where:
Base-Base interactions energy: -18.327
where: short stacking energy: -18.327
Base-Backbone interact. energy: -0.000
local terms energy: -18.407404
where:
bonds (distance) C4'-P energy: -2.680
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -3.533
flat angles P-C4'-P energy: -2.877
tors. eta vs tors. theta energy: -4.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -31.760968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.760968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.760968 (E_RNA)
where:
Base-Base interactions energy: -14.722
where: short stacking energy: -14.722
Base-Backbone interact. energy: -0.000
local terms energy: -17.038803
where:
bonds (distance) C4'-P energy: -4.742
bonds (distance) P-C4' energy: -3.578
flat angles C4'-P-C4' energy: -2.626
flat angles P-C4'-P energy: -1.578
tors. eta vs tors. theta energy: -4.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -26.607190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.607190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.607190 (E_RNA)
where:
Base-Base interactions energy: -8.891
where: short stacking energy: -8.891
Base-Backbone interact. energy: -0.000
local terms energy: -17.715882
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.218
flat angles P-C4'-P energy: -3.138
tors. eta vs tors. theta energy: -0.981
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: 7
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -32.383566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.383566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.383566 (E_RNA)
where:
Base-Base interactions energy: -16.713
where: short stacking energy: -16.713
Base-Backbone interact. energy: -0.000
local terms energy: -15.670357
where:
bonds (distance) C4'-P energy: -2.668
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -2.488
flat angles P-C4'-P energy: -2.604
tors. eta vs tors. theta energy: -2.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -35.698209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.698209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.698209 (E_RNA)
where:
Base-Base interactions energy: -16.421
where: short stacking energy: -16.421
Base-Backbone interact. energy: -0.000
local terms energy: -19.277247
where:
bonds (distance) C4'-P energy: -1.562
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.116
flat angles P-C4'-P energy: -3.502
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: 8, replica: 3
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -23.600313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.600313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.600313 (E_RNA)
where:
Base-Base interactions energy: -10.277
where: short stacking energy: -10.277
Base-Backbone interact. energy: -0.000
local terms energy: -13.323237
where:
bonds (distance) C4'-P energy: -1.348
bonds (distance) P-C4' energy: -4.180
flat angles C4'-P-C4' energy: -4.025
flat angles P-C4'-P energy: -0.581
tors. eta vs tors. theta energy: -3.189
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: 6
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -30.506671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.506671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.506671 (E_RNA)
where:
Base-Base interactions energy: -13.924
where: short stacking energy: -13.924
Base-Backbone interact. energy: -0.000
local terms energy: -16.582533
where:
bonds (distance) C4'-P energy: -2.216
bonds (distance) P-C4' energy: -4.628
flat angles C4'-P-C4' energy: -4.219
flat angles P-C4'-P energy: -2.673
tors. eta vs tors. theta energy: -2.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -21.991876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.991876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.991876 (E_RNA)
where:
Base-Base interactions energy: -5.436
where: short stacking energy: -5.436
Base-Backbone interact. energy: -0.002
local terms energy: -16.554289
where:
bonds (distance) C4'-P energy: -3.273
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.936
flat angles P-C4'-P energy: -3.740
tors. eta vs tors. theta energy: -0.487
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: 2
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -34.479056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.479056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.479056 (E_RNA)
where:
Base-Base interactions energy: -12.343
where: short stacking energy: -12.343
Base-Backbone interact. energy: -0.000
local terms energy: -22.135556
where:
bonds (distance) C4'-P energy: -4.341
bonds (distance) P-C4' energy: -4.413
flat angles C4'-P-C4' energy: -4.590
flat angles P-C4'-P energy: -3.862
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: 2, replica: 4
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -37.294137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.294137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.294137 (E_RNA)
where:
Base-Base interactions energy: -17.256
where: short stacking energy: -17.256
Base-Backbone interact. energy: -0.000
local terms energy: -20.037927
where:
bonds (distance) C4'-P energy: -4.303
bonds (distance) P-C4' energy: -3.981
flat angles C4'-P-C4' energy: -4.172
flat angles P-C4'-P energy: -2.323
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: 3, replica: 9
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -36.879281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.879281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.879281 (E_RNA)
where:
Base-Base interactions energy: -20.992
where: short stacking energy: -12.694
Base-Backbone interact. energy: 0.891
local terms energy: -16.779123
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -3.966
flat angles C4'-P-C4' energy: -4.409
flat angles P-C4'-P energy: -3.873
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: 4, replica: 8
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -27.093137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.093137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.093137 (E_RNA)
where:
Base-Base interactions energy: -8.502
where: short stacking energy: -8.502
Base-Backbone interact. energy: -0.061
local terms energy: -18.529716
where:
bonds (distance) C4'-P energy: -3.140
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -4.452
flat angles P-C4'-P energy: -4.117
tors. eta vs tors. theta energy: -1.939
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: 7
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -27.902182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.902182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.902182 (E_RNA)
where:
Base-Base interactions energy: -8.494
where: short stacking energy: -8.494
Base-Backbone interact. energy: -0.000
local terms energy: -19.408497
where:
bonds (distance) C4'-P energy: -3.869
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -3.665
flat angles P-C4'-P energy: -3.920
tors. eta vs tors. theta energy: -3.091
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: 1
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -24.269137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.269137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.269137 (E_RNA)
where:
Base-Base interactions energy: -7.080
where: short stacking energy: -7.080
Base-Backbone interact. energy: -0.002
local terms energy: -17.187051
where:
bonds (distance) C4'-P energy: -2.804
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.466
flat angles P-C4'-P energy: -2.259
tors. eta vs tors. theta energy: -2.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -32.259606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.259606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.259606 (E_RNA)
where:
Base-Base interactions energy: -15.528
where: short stacking energy: -15.528
Base-Backbone interact. energy: -0.000
local terms energy: -16.731176
where:
bonds (distance) C4'-P energy: -2.379
bonds (distance) P-C4' energy: -3.544
flat angles C4'-P-C4' energy: -1.928
flat angles P-C4'-P energy: -3.681
tors. eta vs tors. theta energy: -5.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -26.625908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.625908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.625908 (E_RNA)
where:
Base-Base interactions energy: -8.848
where: short stacking energy: -8.848
Base-Backbone interact. energy: -0.000
local terms energy: -17.777521
where:
bonds (distance) C4'-P energy: -4.419
bonds (distance) P-C4' energy: -3.811
flat angles C4'-P-C4' energy: -4.154
flat angles P-C4'-P energy: -3.862
tors. eta vs tors. theta energy: -1.531
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: 9, replica: 5
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -27.367828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.367828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.367828 (E_RNA)
where:
Base-Base interactions energy: -11.972
where: short stacking energy: -11.972
Base-Backbone interact. energy: -0.002
local terms energy: -15.393601
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -3.301
flat angles C4'-P-C4' energy: -3.654
flat angles P-C4'-P energy: -2.892
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: 6
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -25.222627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.222627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.222627 (E_RNA)
where:
Base-Base interactions energy: -6.693
where: short stacking energy: -6.693
Base-Backbone interact. energy: -0.000
local terms energy: -18.529800
where:
bonds (distance) C4'-P energy: -3.169
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.244
flat angles P-C4'-P energy: -3.344
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: 1, replica: 2
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -38.538950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.538950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.538950 (E_RNA)
where:
Base-Base interactions energy: -17.838
where: short stacking energy: -17.838
Base-Backbone interact. energy: -0.000
local terms energy: -20.700764
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -3.984
flat angles C4'-P-C4' energy: -3.872
flat angles P-C4'-P energy: -3.892
tors. eta vs tors. theta energy: -4.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -39.087301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.087301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.087301 (E_RNA)
where:
Base-Base interactions energy: -16.086
where: short stacking energy: -16.086
Base-Backbone interact. energy: -0.000
local terms energy: -23.000799
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.632
flat angles P-C4'-P energy: -3.567
tors. eta vs tors. theta energy: -5.174
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: 4
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -34.815330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.815330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.815330 (E_RNA)
where:
Base-Base interactions energy: -12.864
where: short stacking energy: -12.864
Base-Backbone interact. energy: -0.000
local terms energy: -21.950960
where:
bonds (distance) C4'-P energy: -3.637
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.609
flat angles P-C4'-P energy: -3.226
tors. eta vs tors. theta energy: -5.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -27.249186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.249186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.249186 (E_RNA)
where:
Base-Base interactions energy: -12.013
where: short stacking energy: -12.013
Base-Backbone interact. energy: -0.001
local terms energy: -15.235153
where:
bonds (distance) C4'-P energy: -2.262
bonds (distance) P-C4' energy: -4.867
flat angles C4'-P-C4' energy: -4.085
flat angles P-C4'-P energy: -3.518
tors. eta vs tors. theta energy: -0.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -31.589085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.589085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.589085 (E_RNA)
where:
Base-Base interactions energy: -13.711
where: short stacking energy: -13.711
Base-Backbone interact. energy: -0.000
local terms energy: -17.877770
where:
bonds (distance) C4'-P energy: -2.565
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -4.363
flat angles P-C4'-P energy: -2.133
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: 6, replica: 3
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -26.533177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.533177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.533177 (E_RNA)
where:
Base-Base interactions energy: -11.061
where: short stacking energy: -11.061
Base-Backbone interact. energy: -0.000
local terms energy: -15.472259
where:
bonds (distance) C4'-P energy: -2.867
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -3.033
flat angles P-C4'-P energy: -0.827
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: 7, replica: 1
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -28.430102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.430102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.430102 (E_RNA)
where:
Base-Base interactions energy: -10.274
where: short stacking energy: -7.403
Base-Backbone interact. energy: -0.000
local terms energy: -18.156439
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.241
flat angles P-C4'-P energy: -2.886
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: 8, replica: 5
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -30.116145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.116145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.116145 (E_RNA)
where:
Base-Base interactions energy: -13.597
where: short stacking energy: -13.597
Base-Backbone interact. energy: -0.011
local terms energy: -16.507947
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.694
flat angles P-C4'-P energy: -1.321
tors. eta vs tors. theta energy: -1.499
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: 10
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -22.509881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.509881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.509881 (E_RNA)
where:
Base-Base interactions energy: -6.839
where: short stacking energy: -6.839
Base-Backbone interact. energy: -0.051
local terms energy: -15.620021
where:
bonds (distance) C4'-P energy: -3.309
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -3.975
flat angles P-C4'-P energy: -2.857
tors. eta vs tors. theta energy: -0.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -24.522788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.522788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.522788 (E_RNA)
where:
Base-Base interactions energy: -9.063
where: short stacking energy: -9.063
Base-Backbone interact. energy: -0.002
local terms energy: -15.457669
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -4.410
flat angles C4'-P-C4' energy: -3.007
flat angles P-C4'-P energy: -3.337
tors. eta vs tors. theta energy: -1.154
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: 9
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -38.933998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.933998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.933998 (E_RNA)
where:
Base-Base interactions energy: -18.346
where: short stacking energy: -18.346
Base-Backbone interact. energy: -0.000
local terms energy: -20.588465
where:
bonds (distance) C4'-P energy: -3.745
bonds (distance) P-C4' energy: -4.832
flat angles C4'-P-C4' energy: -4.093
flat angles P-C4'-P energy: -2.662
tors. eta vs tors. theta energy: -5.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -34.941582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.941582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.941582 (E_RNA)
where:
Base-Base interactions energy: -16.551
where: short stacking energy: -16.551
Base-Backbone interact. energy: -0.000
local terms energy: -18.390308
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -3.585
flat angles C4'-P-C4' energy: -3.467
flat angles P-C4'-P energy: -2.340
tors. eta vs tors. theta energy: -4.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -33.416496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.416496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.416496 (E_RNA)
where:
Base-Base interactions energy: -15.480
where: short stacking energy: -15.480
Base-Backbone interact. energy: -0.000
local terms energy: -17.936096
where:
bonds (distance) C4'-P energy: -3.479
bonds (distance) P-C4' energy: -3.131
flat angles C4'-P-C4' energy: -3.805
flat angles P-C4'-P energy: -2.888
tors. eta vs tors. theta energy: -4.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -30.646803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.646803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.646803 (E_RNA)
where:
Base-Base interactions energy: -12.546
where: short stacking energy: -12.546
Base-Backbone interact. energy: -0.000
local terms energy: -18.101122
where:
bonds (distance) C4'-P energy: -3.699
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.515
flat angles P-C4'-P energy: -2.343
tors. eta vs tors. theta energy: -2.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -27.433736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.433736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.433736 (E_RNA)
where:
Base-Base interactions energy: -8.228
where: short stacking energy: -8.228
Base-Backbone interact. energy: -0.000
local terms energy: -19.204972
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.525
flat angles P-C4'-P energy: -2.399
tors. eta vs tors. theta energy: -2.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -29.590931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.590931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.590931 (E_RNA)
where:
Base-Base interactions energy: -13.963
where: short stacking energy: -13.963
Base-Backbone interact. energy: -0.001
local terms energy: -15.626381
where:
bonds (distance) C4'-P energy: -3.753
bonds (distance) P-C4' energy: -1.992
flat angles C4'-P-C4' energy: -4.909
flat angles P-C4'-P energy: -2.051
tors. eta vs tors. theta energy: -2.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -28.638004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.638004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.638004 (E_RNA)
where:
Base-Base interactions energy: -9.312
where: short stacking energy: -9.312
Base-Backbone interact. energy: -0.000
local terms energy: -19.326379
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -3.108
flat angles P-C4'-P energy: -4.120
tors. eta vs tors. theta energy: -3.145
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: 306
Temperature: 1.250000
Total energy: -22.334326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.334326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.334326 (E_RNA)
where:
Base-Base interactions energy: -8.222
where: short stacking energy: -8.222
Base-Backbone interact. energy: -0.003
local terms energy: -14.109391
where:
bonds (distance) C4'-P energy: -3.152
bonds (distance) P-C4' energy: -4.603
flat angles C4'-P-C4' energy: -2.635
flat angles P-C4'-P energy: -0.984
tors. eta vs tors. theta energy: -2.735
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: 6
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -27.291564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.291564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.291564 (E_RNA)
where:
Base-Base interactions energy: -12.648
where: short stacking energy: -12.648
Base-Backbone interact. energy: -0.000
local terms energy: -14.643540
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -3.790
flat angles C4'-P-C4' energy: -3.712
flat angles P-C4'-P energy: -1.714
tors. eta vs tors. theta energy: -1.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -23.546529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.546529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.546529 (E_RNA)
where:
Base-Base interactions energy: -7.179
where: short stacking energy: -7.179
Base-Backbone interact. energy: -0.009
local terms energy: -16.358729
where:
bonds (distance) C4'-P energy: -3.078
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.388
flat angles P-C4'-P energy: -2.107
tors. eta vs tors. theta energy: -1.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -32.676531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.676531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.676531 (E_RNA)
where:
Base-Base interactions energy: -14.234
where: short stacking energy: -14.234
Base-Backbone interact. energy: -0.001
local terms energy: -18.441416
where:
bonds (distance) C4'-P energy: -3.773
bonds (distance) P-C4' energy: -4.572
flat angles C4'-P-C4' energy: -4.485
flat angles P-C4'-P energy: -4.106
tors. eta vs tors. theta energy: -1.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -33.582136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.582136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.582136 (E_RNA)
where:
Base-Base interactions energy: -13.482
where: short stacking energy: -13.482
Base-Backbone interact. energy: -0.000
local terms energy: -20.100547
where:
bonds (distance) C4'-P energy: -3.745
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -4.700
flat angles P-C4'-P energy: -3.283
tors. eta vs tors. theta energy: -3.282
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: 2
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -37.573897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.573897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.573897 (E_RNA)
where:
Base-Base interactions energy: -17.661
where: short stacking energy: -17.661
Base-Backbone interact. energy: -0.000
local terms energy: -19.912849
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -3.919
flat angles C4'-P-C4' energy: -4.643
flat angles P-C4'-P energy: -2.465
tors. eta vs tors. theta energy: -5.229
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: 3
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -33.153241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.153241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.153241 (E_RNA)
where:
Base-Base interactions energy: -12.072
where: short stacking energy: -12.072
Base-Backbone interact. energy: 0.130
local terms energy: -21.210624
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.730
flat angles P-C4'-P energy: -3.625
tors. eta vs tors. theta energy: -4.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -32.872782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.872782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.872782 (E_RNA)
where:
Base-Base interactions energy: -13.697
where: short stacking energy: -13.697
Base-Backbone interact. energy: -0.000
local terms energy: -19.175336
where:
bonds (distance) C4'-P energy: -4.634
bonds (distance) P-C4' energy: -5.128
flat angles C4'-P-C4' energy: -2.930
flat angles P-C4'-P energy: -3.209
tors. eta vs tors. theta energy: -3.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -33.615948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.615948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.615948 (E_RNA)
where:
Base-Base interactions energy: -13.770
where: short stacking energy: -13.770
Base-Backbone interact. energy: -0.000
local terms energy: -19.846187
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.290
flat angles P-C4'-P energy: -2.667
tors. eta vs tors. theta energy: -3.258
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: 8
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -27.232109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.232109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.232109 (E_RNA)
where:
Base-Base interactions energy: -11.224
where: short stacking energy: -11.224
Base-Backbone interact. energy: -0.001
local terms energy: -16.007879
where:
bonds (distance) C4'-P energy: -4.303
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -1.675
flat angles P-C4'-P energy: -3.587
tors. eta vs tors. theta energy: -1.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -29.041099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.041099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.041099 (E_RNA)
where:
Base-Base interactions energy: -13.490
where: short stacking energy: -13.490
Base-Backbone interact. energy: -0.000
local terms energy: -15.551226
where:
bonds (distance) C4'-P energy: -3.753
bonds (distance) P-C4' energy: -3.137
flat angles C4'-P-C4' energy: -3.376
flat angles P-C4'-P energy: -2.724
tors. eta vs tors. theta energy: -2.562
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: 1
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -30.342490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.342490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.342490 (E_RNA)
where:
Base-Base interactions energy: -14.125
where: short stacking energy: -6.402
Base-Backbone interact. energy: -0.093
local terms energy: -16.124529
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -4.628
flat angles C4'-P-C4' energy: -4.438
flat angles P-C4'-P energy: -2.280
tors. eta vs tors. theta energy: -1.122
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: 10
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -25.020856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.020856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.020856 (E_RNA)
where:
Base-Base interactions energy: -9.630
where: short stacking energy: -9.630
Base-Backbone interact. energy: -0.009
local terms energy: -15.381184
where:
bonds (distance) C4'-P energy: -2.051
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.918
flat angles P-C4'-P energy: -2.769
tors. eta vs tors. theta energy: -1.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -29.658562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.658562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.658562 (E_RNA)
where:
Base-Base interactions energy: -13.137
where: short stacking energy: -13.137
Base-Backbone interact. energy: -0.000
local terms energy: -16.521584
where:
bonds (distance) C4'-P energy: -1.550
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -4.433
flat angles P-C4'-P energy: -2.388
tors. eta vs tors. theta energy: -3.261
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: 9
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -37.160759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.160759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.160759 (E_RNA)
where:
Base-Base interactions energy: -16.017
where: short stacking energy: -16.017
Base-Backbone interact. energy: -0.000
local terms energy: -21.143991
where:
bonds (distance) C4'-P energy: -4.038
bonds (distance) P-C4' energy: -3.984
flat angles C4'-P-C4' energy: -4.574
flat angles P-C4'-P energy: -3.213
tors. eta vs tors. theta energy: -5.334
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: 3
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -29.168584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.168584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.168584 (E_RNA)
where:
Base-Base interactions energy: -12.349
where: short stacking energy: -12.349
Base-Backbone interact. energy: -0.000
local terms energy: -16.819525
where:
bonds (distance) C4'-P energy: -3.691
bonds (distance) P-C4' energy: -4.674
flat angles C4'-P-C4' energy: -2.587
flat angles P-C4'-P energy: -2.904
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: 4, replica: 2
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -29.706435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.706435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.706435 (E_RNA)
where:
Base-Base interactions energy: -13.118
where: short stacking energy: -13.118
Base-Backbone interact. energy: -0.000
local terms energy: -16.588876
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.241
flat angles P-C4'-P energy: -1.979
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: 5, replica: 5
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -27.830861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.830861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.830861 (E_RNA)
where:
Base-Base interactions energy: -13.221
where: short stacking energy: -4.687
Base-Backbone interact. energy: -0.005
local terms energy: -14.604120
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -4.653
flat angles C4'-P-C4' energy: -1.156
flat angles P-C4'-P energy: -2.469
tors. eta vs tors. theta energy: -2.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -31.053555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.053555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.053555 (E_RNA)
where:
Base-Base interactions energy: -15.232
where: short stacking energy: -13.622
Base-Backbone interact. energy: -0.000
local terms energy: -15.821250
where:
bonds (distance) C4'-P energy: -1.666
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -3.559
flat angles P-C4'-P energy: -2.397
tors. eta vs tors. theta energy: -3.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -25.405944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.405944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.405944 (E_RNA)
where:
Base-Base interactions energy: -10.083
where: short stacking energy: -10.083
Base-Backbone interact. energy: -0.000
local terms energy: -15.323008
where:
bonds (distance) C4'-P energy: -2.598
bonds (distance) P-C4' energy: -3.941
flat angles C4'-P-C4' energy: -3.890
flat angles P-C4'-P energy: -2.115
tors. eta vs tors. theta energy: -2.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -24.133171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.133171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.133171 (E_RNA)
where:
Base-Base interactions energy: -9.089
where: short stacking energy: -9.089
Base-Backbone interact. energy: -0.004
local terms energy: -15.040573
where:
bonds (distance) C4'-P energy: -3.708
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.131
flat angles P-C4'-P energy: -0.823
tors. eta vs tors. theta energy: -1.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -29.256001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.256001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.256001 (E_RNA)
where:
Base-Base interactions energy: -11.994
where: short stacking energy: -11.994
Base-Backbone interact. energy: -0.010
local terms energy: -17.252197
where:
bonds (distance) C4'-P energy: -4.332
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -2.398
flat angles P-C4'-P energy: -2.985
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: 10, replica: 1
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -22.616151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.616151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.616151 (E_RNA)
where:
Base-Base interactions energy: -8.990
where: short stacking energy: -8.682
Base-Backbone interact. energy: -0.018
local terms energy: -13.607844
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -3.585
flat angles C4'-P-C4' energy: -3.043
flat angles P-C4'-P energy: -2.172
tors. eta vs tors. theta energy: -0.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -38.476477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.476477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.476477 (E_RNA)
where:
Base-Base interactions energy: -16.146
where: short stacking energy: -16.146
Base-Backbone interact. energy: -0.000
local terms energy: -22.330592
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.014
flat angles P-C4'-P energy: -3.563
tors. eta vs tors. theta energy: -5.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -28.256470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.256470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.256470 (E_RNA)
where:
Base-Base interactions energy: -12.073
where: short stacking energy: -7.828
Base-Backbone interact. energy: -0.100
local terms energy: -16.083620
where:
bonds (distance) C4'-P energy: -3.024
bonds (distance) P-C4' energy: -4.054
flat angles C4'-P-C4' energy: -2.042
flat angles P-C4'-P energy: -4.079
tors. eta vs tors. theta energy: -2.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -35.797955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.797955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.797955 (E_RNA)
where:
Base-Base interactions energy: -16.376
where: short stacking energy: -16.376
Base-Backbone interact. energy: -0.000
local terms energy: -19.422202
where:
bonds (distance) C4'-P energy: -3.397
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.264
flat angles P-C4'-P energy: -2.100
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: 4, replica: 2
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -28.963273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.963273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.963273 (E_RNA)
where:
Base-Base interactions energy: -13.233
where: short stacking energy: -13.233
Base-Backbone interact. energy: -0.000
local terms energy: -15.730340
where:
bonds (distance) C4'-P energy: -3.781
bonds (distance) P-C4' energy: -3.100
flat angles C4'-P-C4' energy: -4.167
flat angles P-C4'-P energy: -2.172
tors. eta vs tors. theta energy: -2.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -31.900817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.900817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.900817 (E_RNA)
where:
Base-Base interactions energy: -15.675
where: short stacking energy: -11.407
Base-Backbone interact. energy: -0.055
local terms energy: -16.171062
where:
bonds (distance) C4'-P energy: -3.753
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.319
flat angles P-C4'-P energy: -3.766
tors. eta vs tors. theta energy: -0.665
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: 6, replica: 8
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -29.010480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.010480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.010480 (E_RNA)
where:
Base-Base interactions energy: -11.197
where: short stacking energy: -11.197
Base-Backbone interact. energy: -0.000
local terms energy: -17.813264
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -3.815
flat angles P-C4'-P energy: -2.916
tors. eta vs tors. theta energy: -2.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -34.698585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.698585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.698585 (E_RNA)
where:
Base-Base interactions energy: -15.092
where: short stacking energy: -15.092
Base-Backbone interact. energy: -0.000
local terms energy: -19.606930
where:
bonds (distance) C4'-P energy: -3.442
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -4.506
flat angles P-C4'-P energy: -3.115
tors. eta vs tors. theta energy: -3.444
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: 309
Temperature: 1.250000
Total energy: -30.223266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.223266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.223266 (E_RNA)
where:
Base-Base interactions energy: -13.016
where: short stacking energy: -13.016
Base-Backbone interact. energy: -0.000
local terms energy: -17.206975
where:
bonds (distance) C4'-P energy: -4.303
bonds (distance) P-C4' energy: -4.395
flat angles C4'-P-C4' energy: -3.883
flat angles P-C4'-P energy: -2.559
tors. eta vs tors. theta energy: -2.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -25.332369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.332369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.332369 (E_RNA)
where:
Base-Base interactions energy: -7.171
where: short stacking energy: -7.171
Base-Backbone interact. energy: -0.000
local terms energy: -18.161395
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -3.739
flat angles P-C4'-P energy: -3.094
tors. eta vs tors. theta energy: -1.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -37.019183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.019183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.019183 (E_RNA)
where:
Base-Base interactions energy: -15.527
where: short stacking energy: -15.527
Base-Backbone interact. energy: -0.000
local terms energy: -21.492264
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.827
flat angles P-C4'-P energy: -4.091
tors. eta vs tors. theta energy: -4.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -38.579800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.579800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.579800 (E_RNA)
where:
Base-Base interactions energy: -18.423
where: short stacking energy: -18.423
Base-Backbone interact. energy: -0.000
local terms energy: -20.157008
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -4.534
flat angles P-C4'-P energy: -3.392
tors. eta vs tors. theta energy: -3.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -32.501310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.501310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.501310 (E_RNA)
where:
Base-Base interactions energy: -16.705
where: short stacking energy: -8.522
Base-Backbone interact. energy: 0.337
local terms energy: -16.132823
where:
bonds (distance) C4'-P energy: -3.384
bonds (distance) P-C4' energy: -4.653
flat angles C4'-P-C4' energy: -4.254
flat angles P-C4'-P energy: -2.351
tors. eta vs tors. theta energy: -1.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -35.759847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.759847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.759847 (E_RNA)
where:
Base-Base interactions energy: -15.667
where: short stacking energy: -15.667
Base-Backbone interact. energy: -0.000
local terms energy: -20.092916
where:
bonds (distance) C4'-P energy: -2.564
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.731
flat angles P-C4'-P energy: -2.639
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: 4, replica: 2
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -34.637550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.637550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.637550 (E_RNA)
where:
Base-Base interactions energy: -16.771
where: short stacking energy: -16.771
Base-Backbone interact. energy: -0.000
local terms energy: -17.866958
where:
bonds (distance) C4'-P energy: -3.372
bonds (distance) P-C4' energy: -3.329
flat angles C4'-P-C4' energy: -4.544
flat angles P-C4'-P energy: -2.830
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: 5, replica: 8
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -25.865474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.865474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.865474 (E_RNA)
where:
Base-Base interactions energy: -8.284
where: short stacking energy: -8.284
Base-Backbone interact. energy: -0.103
local terms energy: -17.478186
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.034
flat angles P-C4'-P energy: -3.368
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: 6, replica: 5
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -27.290350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.290350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.290350 (E_RNA)
where:
Base-Base interactions energy: -11.675
where: short stacking energy: -11.675
Base-Backbone interact. energy: -0.000
local terms energy: -15.615741
where:
bonds (distance) C4'-P energy: -2.395
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -2.451
flat angles P-C4'-P energy: -3.637
tors. eta vs tors. theta energy: -2.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -27.111676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.111676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.111676 (E_RNA)
where:
Base-Base interactions energy: -7.854
where: short stacking energy: -7.854
Base-Backbone interact. energy: -0.014
local terms energy: -19.243840
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.801
flat angles P-C4'-P energy: -3.078
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: 8, replica: 4
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -29.539411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.539411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.539411 (E_RNA)
where:
Base-Base interactions energy: -12.172
where: short stacking energy: -12.172
Base-Backbone interact. energy: -0.000
local terms energy: -17.367403
where:
bonds (distance) C4'-P energy: -1.580
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -2.263
flat angles P-C4'-P energy: -3.659
tors. eta vs tors. theta energy: -4.748
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: 1
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -25.418854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.418854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.418854 (E_RNA)
where:
Base-Base interactions energy: -8.372
where: short stacking energy: -8.372
Base-Backbone interact. energy: -0.000
local terms energy: -17.046898
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.578
flat angles C4'-P-C4' energy: -2.890
flat angles P-C4'-P energy: -2.993
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: 10, replica: 10
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -27.579795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.579795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.579795 (E_RNA)
where:
Base-Base interactions energy: -7.895
where: short stacking energy: -7.895
Base-Backbone interact. energy: -0.000
local terms energy: -19.684679
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -4.505
flat angles P-C4'-P energy: -1.243
tors. eta vs tors. theta energy: -4.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -37.443326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.443326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.443326 (E_RNA)
where:
Base-Base interactions energy: -17.614
where: short stacking energy: -17.614
Base-Backbone interact. energy: -0.000
local terms energy: -19.829521
where:
bonds (distance) C4'-P energy: -3.061
bonds (distance) P-C4' energy: -4.674
flat angles C4'-P-C4' energy: -3.559
flat angles P-C4'-P energy: -3.617
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: 2, replica: 3
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -38.313928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.313928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.313928 (E_RNA)
where:
Base-Base interactions energy: -16.185
where: short stacking energy: -16.185
Base-Backbone interact. energy: -0.000
local terms energy: -22.129421
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -4.266
flat angles P-C4'-P energy: -3.123
tors. eta vs tors. theta energy: -5.597
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: 7
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -30.769009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.769009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.769009 (E_RNA)
where:
Base-Base interactions energy: -12.912
where: short stacking energy: -12.912
Base-Backbone interact. energy: -0.000
local terms energy: -17.856536
where:
bonds (distance) C4'-P energy: -4.055
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.311
flat angles P-C4'-P energy: -2.786
tors. eta vs tors. theta energy: -1.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -35.825257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.825257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.825257 (E_RNA)
where:
Base-Base interactions energy: -16.643
where: short stacking energy: -16.643
Base-Backbone interact. energy: -0.000
local terms energy: -19.182539
where:
bonds (distance) C4'-P energy: -3.414
bonds (distance) P-C4' energy: -3.327
flat angles C4'-P-C4' energy: -4.479
flat angles P-C4'-P energy: -3.518
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: 5, replica: 2
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -30.957550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.957550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.957550 (E_RNA)
where:
Base-Base interactions energy: -10.636
where: short stacking energy: -10.636
Base-Backbone interact. energy: -0.000
local terms energy: -20.321379
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.908
flat angles P-C4'-P energy: -3.728
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: 6, replica: 6
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -28.128727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.128727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.128727 (E_RNA)
where:
Base-Base interactions energy: -12.774
where: short stacking energy: -12.774
Base-Backbone interact. energy: -0.000
local terms energy: -15.354954
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.082
flat angles C4'-P-C4' energy: -4.628
flat angles P-C4'-P energy: -0.814
tors. eta vs tors. theta energy: -1.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -28.571439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.571439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.571439 (E_RNA)
where:
Base-Base interactions energy: -12.827
where: short stacking energy: -12.827
Base-Backbone interact. energy: -0.000
local terms energy: -15.744265
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -2.419
flat angles C4'-P-C4' energy: -3.690
flat angles P-C4'-P energy: -2.647
tors. eta vs tors. theta energy: -2.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -25.707723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.707723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.707723 (E_RNA)
where:
Base-Base interactions energy: -10.872
where: short stacking energy: -10.872
Base-Backbone interact. energy: -0.000
local terms energy: -14.835676
where:
bonds (distance) C4'-P energy: -3.045
bonds (distance) P-C4' energy: -4.441
flat angles C4'-P-C4' energy: -2.367
flat angles P-C4'-P energy: -2.812
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: 9, replica: 4
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -24.814631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.814631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.814631 (E_RNA)
where:
Base-Base interactions energy: -11.708
where: short stacking energy: -11.708
Base-Backbone interact. energy: -0.000
local terms energy: -13.106731
where:
bonds (distance) C4'-P energy: -2.102
bonds (distance) P-C4' energy: -3.364
flat angles C4'-P-C4' energy: -3.224
flat angles P-C4'-P energy: -0.789
tors. eta vs tors. theta energy: -3.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -28.430791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.430791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.430791 (E_RNA)
where:
Base-Base interactions energy: -13.176
where: short stacking energy: -13.176
Base-Backbone interact. energy: -0.000
local terms energy: -15.254921
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -3.265
flat angles C4'-P-C4' energy: -2.715
flat angles P-C4'-P energy: -1.686
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: 1, replica: 3
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -35.279823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.279823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.279823 (E_RNA)
where:
Base-Base interactions energy: -16.319
where: short stacking energy: -16.319
Base-Backbone interact. energy: -0.000
local terms energy: -18.961087
where:
bonds (distance) C4'-P energy: -3.053
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -4.277
flat angles P-C4'-P energy: -3.398
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: 2, replica: 9
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -38.739098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.739098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.739098 (E_RNA)
where:
Base-Base interactions energy: -17.485
where: short stacking energy: -17.485
Base-Backbone interact. energy: -0.000
local terms energy: -21.253677
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -4.628
flat angles C4'-P-C4' energy: -3.777
flat angles P-C4'-P energy: -3.765
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: 3, replica: 8
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -37.295859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.295859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.295859 (E_RNA)
where:
Base-Base interactions energy: -17.328
where: short stacking energy: -17.328
Base-Backbone interact. energy: -0.000
local terms energy: -19.968020
where:
bonds (distance) C4'-P energy: -3.363
bonds (distance) P-C4' energy: -4.892
flat angles C4'-P-C4' energy: -4.115
flat angles P-C4'-P energy: -3.813
tors. eta vs tors. theta energy: -3.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -28.811793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.811793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.811793 (E_RNA)
where:
Base-Base interactions energy: -12.965
where: short stacking energy: -12.965
Base-Backbone interact. energy: -0.011
local terms energy: -15.835904
where:
bonds (distance) C4'-P energy: -4.634
bonds (distance) P-C4' energy: -2.383
flat angles C4'-P-C4' energy: -3.837
flat angles P-C4'-P energy: -3.311
tors. eta vs tors. theta energy: -1.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -32.947395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.947395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.947395 (E_RNA)
where:
Base-Base interactions energy: -15.096
where: short stacking energy: -15.096
Base-Backbone interact. energy: -0.000
local terms energy: -17.851701
where:
bonds (distance) C4'-P energy: -3.194
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -3.027
flat angles P-C4'-P energy: -3.209
tors. eta vs tors. theta energy: -3.561
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: 6
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -28.978406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.978406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.978406 (E_RNA)
where:
Base-Base interactions energy: -16.369
where: short stacking energy: -8.240
Base-Backbone interact. energy: -0.094
local terms energy: -12.515561
where:
bonds (distance) C4'-P energy: -3.869
bonds (distance) P-C4' energy: -3.751
flat angles C4'-P-C4' energy: -1.836
flat angles P-C4'-P energy: -3.019
tors. eta vs tors. theta energy: -0.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -32.588666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.588666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.588666 (E_RNA)
where:
Base-Base interactions energy: -13.550
where: short stacking energy: -13.550
Base-Backbone interact. energy: -0.000
local terms energy: -19.038930
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -4.152
flat angles C4'-P-C4' energy: -3.730
flat angles P-C4'-P energy: -1.927
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: 8, replica: 5
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -30.721020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.721020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.721020 (E_RNA)
where:
Base-Base interactions energy: -11.039
where: short stacking energy: -11.039
Base-Backbone interact. energy: -0.000
local terms energy: -19.681837
where:
bonds (distance) C4'-P energy: -3.773
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -4.275
flat angles P-C4'-P energy: -2.490
tors. eta vs tors. theta energy: -4.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -23.332141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.332141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.332141 (E_RNA)
where:
Base-Base interactions energy: -9.925
where: short stacking energy: -4.343
Base-Backbone interact. energy: -0.104
local terms energy: -13.303553
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -2.841
flat angles P-C4'-P energy: -2.038
tors. eta vs tors. theta energy: 0.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -24.222420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.222420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.222420 (E_RNA)
where:
Base-Base interactions energy: -6.717
where: short stacking energy: -6.717
Base-Backbone interact. energy: -0.004
local terms energy: -17.501398
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -3.941
flat angles C4'-P-C4' energy: -4.202
flat angles P-C4'-P energy: -3.327
tors. eta vs tors. theta energy: -2.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -34.706843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.706843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.706843 (E_RNA)
where:
Base-Base interactions energy: -15.985
where: short stacking energy: -15.985
Base-Backbone interact. energy: -0.000
local terms energy: -18.721837
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -4.177
flat angles C4'-P-C4' energy: -4.801
flat angles P-C4'-P energy: -2.129
tors. eta vs tors. theta energy: -3.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -32.814512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.814512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.814512 (E_RNA)
where:
Base-Base interactions energy: -13.357
where: short stacking energy: -13.357
Base-Backbone interact. energy: -0.005
local terms energy: -19.453033
where:
bonds (distance) C4'-P energy: -4.332
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.553
flat angles P-C4'-P energy: -3.405
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: 3, replica: 9
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -34.776660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.776660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.776660 (E_RNA)
where:
Base-Base interactions energy: -17.545
where: short stacking energy: -17.545
Base-Backbone interact. energy: -0.000
local terms energy: -17.231981
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -2.060
flat angles P-C4'-P energy: -1.384
tors. eta vs tors. theta energy: -4.603
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: 4, replica: 2
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -28.505281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.505281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.505281 (E_RNA)
where:
Base-Base interactions energy: -13.290
where: short stacking energy: -6.326
Base-Backbone interact. energy: -0.013
local terms energy: -15.201771
where:
bonds (distance) C4'-P energy: -1.827
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.555
flat angles P-C4'-P energy: -1.846
tors. eta vs tors. theta energy: -1.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -33.255015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.255015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.255015 (E_RNA)
where:
Base-Base interactions energy: -12.034
where: short stacking energy: -12.034
Base-Backbone interact. energy: -0.000
local terms energy: -21.221333
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -3.870
flat angles P-C4'-P energy: -3.070
tors. eta vs tors. theta energy: -5.110
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: 1
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -28.482591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.482591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.482591 (E_RNA)
where:
Base-Base interactions energy: -9.585
where: short stacking energy: -9.585
Base-Backbone interact. energy: -0.000
local terms energy: -18.897705
where:
bonds (distance) C4'-P energy: -3.363
bonds (distance) P-C4' energy: -4.832
flat angles C4'-P-C4' energy: -3.930
flat angles P-C4'-P energy: -2.377
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: 7, replica: 6
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -27.209953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.209953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.209953 (E_RNA)
where:
Base-Base interactions energy: -11.374
where: short stacking energy: -2.754
Base-Backbone interact. energy: 0.794
local terms energy: -16.629506
where:
bonds (distance) C4'-P energy: -3.923
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.854
flat angles P-C4'-P energy: -2.991
tors. eta vs tors. theta energy: 0.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -21.638055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.638055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.638055 (E_RNA)
where:
Base-Base interactions energy: -6.180
where: short stacking energy: -6.180
Base-Backbone interact. energy: -0.000
local terms energy: -15.457661
where:
bonds (distance) C4'-P energy: -3.683
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.281
flat angles P-C4'-P energy: -2.386
tors. eta vs tors. theta energy: -0.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -21.371305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.371305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.371305 (E_RNA)
where:
Base-Base interactions energy: -6.760
where: short stacking energy: -6.760
Base-Backbone interact. energy: -0.000
local terms energy: -14.611163
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -2.873
flat angles C4'-P-C4' energy: -2.037
flat angles P-C4'-P energy: -3.348
tors. eta vs tors. theta energy: -1.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -26.326118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.326118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.326118 (E_RNA)
where:
Base-Base interactions energy: -11.263
where: short stacking energy: -11.263
Base-Backbone interact. energy: -0.002
local terms energy: -15.060985
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.062
flat angles P-C4'-P energy: -2.903
tors. eta vs tors. theta energy: -0.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -31.943868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.943868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.943868 (E_RNA)
where:
Base-Base interactions energy: -11.541
where: short stacking energy: -11.541
Base-Backbone interact. energy: -0.000
local terms energy: -20.402673
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.361
flat angles C4'-P-C4' energy: -4.540
flat angles P-C4'-P energy: -2.711
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: 2, replica: 3
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -37.333577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.333577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.333577 (E_RNA)
where:
Base-Base interactions energy: -19.873
where: short stacking energy: -11.606
Base-Backbone interact. energy: -0.006
local terms energy: -17.454112
where:
bonds (distance) C4'-P energy: -3.645
bonds (distance) P-C4' energy: -4.653
flat angles C4'-P-C4' energy: -4.099
flat angles P-C4'-P energy: -3.484
tors. eta vs tors. theta energy: -1.573
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: 9
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -31.768033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.768033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.768033 (E_RNA)
where:
Base-Base interactions energy: -13.482
where: short stacking energy: -13.482
Base-Backbone interact. energy: -0.001
local terms energy: -18.285505
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.202
flat angles C4'-P-C4' energy: -2.148
flat angles P-C4'-P energy: -3.273
tors. eta vs tors. theta energy: -4.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -34.270398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.270398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.270398 (E_RNA)
where:
Base-Base interactions energy: -18.265
where: short stacking energy: -11.875
Base-Backbone interact. energy: -0.010
local terms energy: -15.995174
where:
bonds (distance) C4'-P energy: -3.815
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -2.709
flat angles P-C4'-P energy: -3.440
tors. eta vs tors. theta energy: -0.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -29.769136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.769136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.769136 (E_RNA)
where:
Base-Base interactions energy: -10.396
where: short stacking energy: -10.396
Base-Backbone interact. energy: -0.000
local terms energy: -19.373311
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -3.463
flat angles P-C4'-P energy: -3.511
tors. eta vs tors. theta energy: -3.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -23.642927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.642927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.642927 (E_RNA)
where:
Base-Base interactions energy: -7.351
where: short stacking energy: -7.351
Base-Backbone interact. energy: -0.002
local terms energy: -16.289409
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.628
flat angles P-C4'-P energy: -3.602
tors. eta vs tors. theta energy: 1.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -28.978280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.978280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.978280 (E_RNA)
where:
Base-Base interactions energy: -9.315
where: short stacking energy: -9.315
Base-Backbone interact. energy: -0.000
local terms energy: -19.662821
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -3.652
flat angles C4'-P-C4' energy: -4.560
flat angles P-C4'-P energy: -1.876
tors. eta vs tors. theta energy: -5.064
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: 10
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -29.412517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.412517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.412517 (E_RNA)
where:
Base-Base interactions energy: -12.294
where: short stacking energy: -2.859
Base-Backbone interact. energy: -0.021
local terms energy: -17.096927
where:
bonds (distance) C4'-P energy: -3.198
bonds (distance) P-C4' energy: -4.572
flat angles C4'-P-C4' energy: -4.647
flat angles P-C4'-P energy: -2.670
tors. eta vs tors. theta energy: -2.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -28.524756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.524756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.524756 (E_RNA)
where:
Base-Base interactions energy: -9.460
where: short stacking energy: -9.460
Base-Backbone interact. energy: -0.000
local terms energy: -19.064494
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.375
flat angles P-C4'-P energy: -2.959
tors. eta vs tors. theta energy: -2.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -26.245069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.245069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.245069 (E_RNA)
where:
Base-Base interactions energy: -9.372
where: short stacking energy: -9.372
Base-Backbone interact. energy: -0.018
local terms energy: -16.855054
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -4.540
flat angles P-C4'-P energy: -2.691
tors. eta vs tors. theta energy: -1.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -35.847901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.847901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.847901 (E_RNA)
where:
Base-Base interactions energy: -16.500
where: short stacking energy: -16.500
Base-Backbone interact. energy: -0.000
local terms energy: -19.347612
where:
bonds (distance) C4'-P energy: -4.163
bonds (distance) P-C4' energy: -4.569
flat angles C4'-P-C4' energy: -3.347
flat angles P-C4'-P energy: -2.158
tors. eta vs tors. theta energy: -5.112
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: 9
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -35.853680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.853680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.853680 (E_RNA)
where:
Base-Base interactions energy: -17.088
where: short stacking energy: -17.088
Base-Backbone interact. energy: -0.000
local terms energy: -18.765196
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -1.992
flat angles P-C4'-P energy: -3.082
tors. eta vs tors. theta energy: -4.934
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: 3
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -35.634526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.634526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.634526 (E_RNA)
where:
Base-Base interactions energy: -20.404
where: short stacking energy: -12.736
Base-Backbone interact. energy: -0.006
local terms energy: -15.225201
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.308
flat angles P-C4'-P energy: -1.920
tors. eta vs tors. theta energy: -1.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -28.602831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.602831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.602831 (E_RNA)
where:
Base-Base interactions energy: -12.163
where: short stacking energy: -12.163
Base-Backbone interact. energy: -0.004
local terms energy: -16.436489
where:
bonds (distance) C4'-P energy: -3.699
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.490
flat angles P-C4'-P energy: -1.273
tors. eta vs tors. theta energy: -1.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -29.416658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.416658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.416658 (E_RNA)
where:
Base-Base interactions energy: -13.649
where: short stacking energy: -13.649
Base-Backbone interact. energy: -0.000
local terms energy: -15.768004
where:
bonds (distance) C4'-P energy: -4.634
bonds (distance) P-C4' energy: -1.486
flat angles C4'-P-C4' energy: -4.008
flat angles P-C4'-P energy: -2.661
tors. eta vs tors. theta energy: -2.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -29.793426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.793426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.793426 (E_RNA)
where:
Base-Base interactions energy: -10.736
where: short stacking energy: -10.736
Base-Backbone interact. energy: -0.000
local terms energy: -19.057829
where:
bonds (distance) C4'-P energy: -3.699
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.888
flat angles P-C4'-P energy: -3.729
tors. eta vs tors. theta energy: -2.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -28.536686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.536686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.536686 (E_RNA)
where:
Base-Base interactions energy: -11.874
where: short stacking energy: -11.874
Base-Backbone interact. energy: -0.000
local terms energy: -16.661778
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -2.961
flat angles P-C4'-P energy: -3.946
tors. eta vs tors. theta energy: -0.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -26.230852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.230852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.230852 (E_RNA)
where:
Base-Base interactions energy: -13.908
where: short stacking energy: -13.908
Base-Backbone interact. energy: 1.891
local terms energy: -14.213376
where:
bonds (distance) C4'-P energy: -1.733
bonds (distance) P-C4' energy: -3.262
flat angles C4'-P-C4' energy: -3.963
flat angles P-C4'-P energy: -2.437
tors. eta vs tors. theta energy: -2.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -23.774546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.774546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.774546 (E_RNA)
where:
Base-Base interactions energy: -8.924
where: short stacking energy: -8.924
Base-Backbone interact. energy: -0.000
local terms energy: -14.850858
where:
bonds (distance) C4'-P energy: -2.263
bonds (distance) P-C4' energy: -4.047
flat angles C4'-P-C4' energy: -3.981
flat angles P-C4'-P energy: -1.588
tors. eta vs tors. theta energy: -2.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -27.329991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.329991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.329991 (E_RNA)
where:
Base-Base interactions energy: -9.600
where: short stacking energy: -9.600
Base-Backbone interact. energy: -0.000
local terms energy: -17.730213
where:
bonds (distance) C4'-P energy: -2.689
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.494
flat angles P-C4'-P energy: -2.470
tors. eta vs tors. theta energy: -3.959
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: 9
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -39.035165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.035165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.035165 (E_RNA)
where:
Base-Base interactions energy: -17.562
where: short stacking energy: -17.562
Base-Backbone interact. energy: -0.000
local terms energy: -21.473175
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.712
flat angles P-C4'-P energy: -2.809
tors. eta vs tors. theta energy: -4.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -38.476132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.476132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.476132 (E_RNA)
where:
Base-Base interactions energy: -18.081
where: short stacking energy: -18.081
Base-Backbone interact. energy: -0.000
local terms energy: -20.395216
where:
bonds (distance) C4'-P energy: -3.629
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -4.629
flat angles P-C4'-P energy: -2.327
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: 3, replica: 1
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -33.835830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.835830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.835830 (E_RNA)
where:
Base-Base interactions energy: -15.161
where: short stacking energy: -15.161
Base-Backbone interact. energy: -0.000
local terms energy: -18.675058
where:
bonds (distance) C4'-P energy: -2.892
bonds (distance) P-C4' energy: -3.786
flat angles C4'-P-C4' energy: -4.294
flat angles P-C4'-P energy: -2.922
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: 4, replica: 3
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -30.622636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.622636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.622636 (E_RNA)
where:
Base-Base interactions energy: -14.032
where: short stacking energy: -14.032
Base-Backbone interact. energy: -0.002
local terms energy: -16.589023
where:
bonds (distance) C4'-P energy: -4.038
bonds (distance) P-C4' energy: -4.674
flat angles C4'-P-C4' energy: -3.376
flat angles P-C4'-P energy: -3.691
tors. eta vs tors. theta energy: -0.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -27.043356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.043356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.043356 (E_RNA)
where:
Base-Base interactions energy: -10.422
where: short stacking energy: -10.422
Base-Backbone interact. energy: -0.003
local terms energy: -16.618717
where:
bonds (distance) C4'-P energy: -4.427
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -2.931
flat angles P-C4'-P energy: -2.839
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: 6, replica: 2
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -33.176267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.176267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.176267 (E_RNA)
where:
Base-Base interactions energy: -14.184
where: short stacking energy: -14.184
Base-Backbone interact. energy: -0.000
local terms energy: -18.992755
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.177
flat angles C4'-P-C4' energy: -4.471
flat angles P-C4'-P energy: -3.109
tors. eta vs tors. theta energy: -2.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -27.957412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.957412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.957412 (E_RNA)
where:
Base-Base interactions energy: -12.464
where: short stacking energy: -12.464
Base-Backbone interact. energy: -0.000
local terms energy: -15.493426
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -2.093
flat angles P-C4'-P energy: -0.717
tors. eta vs tors. theta energy: -2.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -24.948548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.948548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.948548 (E_RNA)
where:
Base-Base interactions energy: -10.171
where: short stacking energy: -10.171
Base-Backbone interact. energy: -0.000
local terms energy: -14.778006
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -3.332
flat angles C4'-P-C4' energy: -3.854
flat angles P-C4'-P energy: -1.472
tors. eta vs tors. theta energy: -2.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -25.277501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.277501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.277501 (E_RNA)
where:
Base-Base interactions energy: -9.371
where: short stacking energy: -9.371
Base-Backbone interact. energy: -0.000
local terms energy: -15.906064
where:
bonds (distance) C4'-P energy: -3.256
bonds (distance) P-C4' energy: -4.600
flat angles C4'-P-C4' energy: -3.220
flat angles P-C4'-P energy: -2.592
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: 10, replica: 10
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -25.529908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.529908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.529908 (E_RNA)
where:
Base-Base interactions energy: -10.924
where: short stacking energy: -10.924
Base-Backbone interact. energy: -0.000
local terms energy: -14.605754
where:
bonds (distance) C4'-P energy: 0.375
bonds (distance) P-C4' energy: -3.941
flat angles C4'-P-C4' energy: -3.461
flat angles P-C4'-P energy: -2.774
tors. eta vs tors. theta energy: -4.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -30.816643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.816643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.816643 (E_RNA)
where:
Base-Base interactions energy: -13.891
where: short stacking energy: -13.891
Base-Backbone interact. energy: -0.000
local terms energy: -16.925678
where:
bonds (distance) C4'-P energy: -3.372
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -4.801
flat angles P-C4'-P energy: -3.037
tors. eta vs tors. theta energy: -1.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -35.132171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.132171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.132171 (E_RNA)
where:
Base-Base interactions energy: -13.374
where: short stacking energy: -13.374
Base-Backbone interact. energy: -0.000
local terms energy: -21.758411
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -4.195
flat angles P-C4'-P energy: -2.830
tors. eta vs tors. theta energy: -5.339
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: 3, replica: 8
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -29.853323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.853323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.853323 (E_RNA)
where:
Base-Base interactions energy: -14.200
where: short stacking energy: -14.200
Base-Backbone interact. energy: -0.000
local terms energy: -15.653288
where:
bonds (distance) C4'-P energy: -3.290
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -2.185
flat angles P-C4'-P energy: -2.385
tors. eta vs tors. theta energy: -2.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -31.707689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.707689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.707689 (E_RNA)
where:
Base-Base interactions energy: -13.029
where: short stacking energy: -13.029
Base-Backbone interact. energy: -0.000
local terms energy: -18.678997
where:
bonds (distance) C4'-P energy: -3.558
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -3.563
flat angles P-C4'-P energy: -3.000
tors. eta vs tors. theta energy: -3.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -29.958319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.958319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.958319 (E_RNA)
where:
Base-Base interactions energy: -11.866
where: short stacking energy: -11.866
Base-Backbone interact. energy: -0.000
local terms energy: -18.092406
where:
bonds (distance) C4'-P energy: -2.804
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.147
flat angles P-C4'-P energy: -2.828
tors. eta vs tors. theta energy: -3.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -30.495937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.495937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.495937 (E_RNA)
where:
Base-Base interactions energy: -10.962
where: short stacking energy: -10.962
Base-Backbone interact. energy: -0.000
local terms energy: -19.534117
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -4.309
flat angles P-C4'-P energy: -3.607
tors. eta vs tors. theta energy: -2.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -27.864882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.864882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.864882 (E_RNA)
where:
Base-Base interactions energy: -10.188
where: short stacking energy: -8.092
Base-Backbone interact. energy: -0.000
local terms energy: -17.676160
where:
bonds (distance) C4'-P energy: -3.773
bonds (distance) P-C4' energy: -4.311
flat angles C4'-P-C4' energy: -3.124
flat angles P-C4'-P energy: -2.606
tors. eta vs tors. theta energy: -3.863
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: 317
Temperature: 1.250000
Total energy: -28.591298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.591298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.591298 (E_RNA)
where:
Base-Base interactions energy: -11.938
where: short stacking energy: -11.938
Base-Backbone interact. energy: -0.000
local terms energy: -16.653340
where:
bonds (distance) C4'-P energy: -2.920
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -3.110
flat angles P-C4'-P energy: -3.559
tors. eta vs tors. theta energy: -2.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -28.323273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.323273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.323273 (E_RNA)
where:
Base-Base interactions energy: -11.083
where: short stacking energy: -11.083
Base-Backbone interact. energy: -0.000
local terms energy: -17.240228
where:
bonds (distance) C4'-P energy: -4.279
bonds (distance) P-C4' energy: -4.624
flat angles C4'-P-C4' energy: -1.814
flat angles P-C4'-P energy: -2.391
tors. eta vs tors. theta energy: -4.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -26.156959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.156959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.156959 (E_RNA)
where:
Base-Base interactions energy: -9.561
where: short stacking energy: -9.561
Base-Backbone interact. energy: -0.000
local terms energy: -16.595735
where:
bonds (distance) C4'-P energy: -2.850
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -3.923
flat angles P-C4'-P energy: -1.500
tors. eta vs tors. theta energy: -3.652
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: 1
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -35.763726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.763726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.763726 (E_RNA)
where:
Base-Base interactions energy: -17.161
where: short stacking energy: -8.107
Base-Backbone interact. energy: -0.003
local terms energy: -18.599761
where:
bonds (distance) C4'-P energy: -3.815
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -4.299
flat angles P-C4'-P energy: -3.674
tors. eta vs tors. theta energy: -1.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -29.097863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.097863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.097863 (E_RNA)
where:
Base-Base interactions energy: -10.845
where: short stacking energy: -10.845
Base-Backbone interact. energy: -0.000
local terms energy: -18.252466
where:
bonds (distance) C4'-P energy: -3.309
bonds (distance) P-C4' energy: -4.441
flat angles C4'-P-C4' energy: -4.736
flat angles P-C4'-P energy: -2.746
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: 3, replica: 6
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -35.590924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.590924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.590924 (E_RNA)
where:
Base-Base interactions energy: -17.056
where: short stacking energy: -7.365
Base-Backbone interact. energy: 0.135
local terms energy: -18.670077
where:
bonds (distance) C4'-P energy: -3.691
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.416
flat angles P-C4'-P energy: -3.595
tors. eta vs tors. theta energy: -1.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -29.846089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.846089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.846089 (E_RNA)
where:
Base-Base interactions energy: -9.769
where: short stacking energy: -9.769
Base-Backbone interact. energy: -0.000
local terms energy: -20.076984
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -2.497
flat angles P-C4'-P energy: -3.051
tors. eta vs tors. theta energy: -5.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -29.135734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.135734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.135734 (E_RNA)
where:
Base-Base interactions energy: -11.127
where: short stacking energy: -11.127
Base-Backbone interact. energy: -0.001
local terms energy: -18.008416
where:
bonds (distance) C4'-P energy: -2.875
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.326
flat angles P-C4'-P energy: -3.023
tors. eta vs tors. theta energy: -3.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -27.880469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.880469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.880469 (E_RNA)
where:
Base-Base interactions energy: -11.754
where: short stacking energy: -11.754
Base-Backbone interact. energy: -0.000
local terms energy: -16.125851
where:
bonds (distance) C4'-P energy: -2.564
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -3.678
flat angles P-C4'-P energy: -3.643
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: 7, replica: 5
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -27.489788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.489788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.489788 (E_RNA)
where:
Base-Base interactions energy: -8.587
where: short stacking energy: -8.587
Base-Backbone interact. energy: -0.000
local terms energy: -18.902635
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -3.858
flat angles P-C4'-P energy: -3.674
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: 8, replica: 2
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -28.114649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.114649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.114649 (E_RNA)
where:
Base-Base interactions energy: -8.749
where: short stacking energy: -8.749
Base-Backbone interact. energy: -0.000
local terms energy: -19.365167
where:
bonds (distance) C4'-P energy: -2.564
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.732
flat angles P-C4'-P energy: -3.137
tors. eta vs tors. theta energy: -4.497
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: 10
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -25.642606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.642606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.642606 (E_RNA)
where:
Base-Base interactions energy: -9.365
where: short stacking energy: -9.365
Base-Backbone interact. energy: -0.000
local terms energy: -16.277447
where:
bonds (distance) C4'-P energy: -3.433
bonds (distance) P-C4' energy: -3.628
flat angles C4'-P-C4' energy: -3.625
flat angles P-C4'-P energy: -3.610
tors. eta vs tors. theta energy: -1.981
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: 7
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -27.046923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.046923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.046923 (E_RNA)
where:
Base-Base interactions energy: -9.006
where: short stacking energy: -9.006
Base-Backbone interact. energy: -0.000
local terms energy: -18.040577
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -3.748
flat angles C4'-P-C4' energy: -4.104
flat angles P-C4'-P energy: -3.472
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: 1, replica: 1
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -35.108303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.108303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.108303 (E_RNA)
where:
Base-Base interactions energy: -14.844
where: short stacking energy: -12.369
Base-Backbone interact. energy: -0.000
local terms energy: -20.264367
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.789
flat angles P-C4'-P energy: -3.844
tors. eta vs tors. theta energy: -2.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -32.962140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.962140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.962140 (E_RNA)
where:
Base-Base interactions energy: -13.398
where: short stacking energy: -13.398
Base-Backbone interact. energy: -0.000
local terms energy: -19.563729
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.870
flat angles P-C4'-P energy: -2.725
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: 3, replica: 9
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -32.026753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.026753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.026753 (E_RNA)
where:
Base-Base interactions energy: -13.196
where: short stacking energy: -13.196
Base-Backbone interact. energy: -0.000
local terms energy: -18.830332
where:
bonds (distance) C4'-P energy: -3.673
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.621
flat angles P-C4'-P energy: -3.403
tors. eta vs tors. theta energy: -3.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -31.670503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.670503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.670503 (E_RNA)
where:
Base-Base interactions energy: -12.851
where: short stacking energy: -12.851
Base-Backbone interact. energy: -0.000
local terms energy: -18.819909
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -2.898
flat angles C4'-P-C4' energy: -4.239
flat angles P-C4'-P energy: -1.681
tors. eta vs tors. theta energy: -5.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -35.190855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.190855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.190855 (E_RNA)
where:
Base-Base interactions energy: -14.235
where: short stacking energy: -14.235
Base-Backbone interact. energy: -0.000
local terms energy: -20.955664
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -4.653
flat angles C4'-P-C4' energy: -3.987
flat angles P-C4'-P energy: -2.864
tors. eta vs tors. theta energy: -4.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -32.241165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.241165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.241165 (E_RNA)
where:
Base-Base interactions energy: -14.012
where: short stacking energy: -14.012
Base-Backbone interact. energy: -0.000
local terms energy: -18.229354
where:
bonds (distance) C4'-P energy: -3.889
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -3.781
flat angles P-C4'-P energy: -2.801
tors. eta vs tors. theta energy: -2.662
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: 3
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -37.321851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.321851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.321851 (E_RNA)
where:
Base-Base interactions energy: -16.350
where: short stacking energy: -16.350
Base-Backbone interact. energy: -0.000
local terms energy: -20.971540
where:
bonds (distance) C4'-P energy: -3.194
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -4.388
flat angles P-C4'-P energy: -3.285
tors. eta vs tors. theta energy: -4.748
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: 8, replica: 10
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -29.622663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.622663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.622663 (E_RNA)
where:
Base-Base interactions energy: -12.763
where: short stacking energy: -12.763
Base-Backbone interact. energy: -0.000
local terms energy: -16.859726
where:
bonds (distance) C4'-P energy: -3.479
bonds (distance) P-C4' energy: -2.485
flat angles C4'-P-C4' energy: -3.890
flat angles P-C4'-P energy: -2.469
tors. eta vs tors. theta energy: -4.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -24.787412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.787412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.787412 (E_RNA)
where:
Base-Base interactions energy: -9.300
where: short stacking energy: -9.300
Base-Backbone interact. energy: -0.000
local terms energy: -15.487008
where:
bonds (distance) C4'-P energy: -2.962
bonds (distance) P-C4' energy: -4.202
flat angles C4'-P-C4' energy: -3.620
flat angles P-C4'-P energy: -2.411
tors. eta vs tors. theta energy: -2.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -24.760893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.760893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.760893 (E_RNA)
where:
Base-Base interactions energy: -7.979
where: short stacking energy: -7.979
Base-Backbone interact. energy: -0.000
local terms energy: -16.782210
where:
bonds (distance) C4'-P energy: -2.023
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.182
flat angles P-C4'-P energy: -2.753
tors. eta vs tors. theta energy: -3.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -35.283797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.283797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.283797 (E_RNA)
where:
Base-Base interactions energy: -16.658
where: short stacking energy: -16.658
Base-Backbone interact. energy: -0.000
local terms energy: -18.625982
where:
bonds (distance) C4'-P energy: -3.152
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.090
flat angles P-C4'-P energy: -3.674
tors. eta vs tors. theta energy: -3.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -36.535845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.535845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.535845 (E_RNA)
where:
Base-Base interactions energy: -16.453
where: short stacking energy: -16.453
Base-Backbone interact. energy: -0.000
local terms energy: -20.083023
where:
bonds (distance) C4'-P energy: -4.038
bonds (distance) P-C4' energy: -3.748
flat angles C4'-P-C4' energy: -3.718
flat angles P-C4'-P energy: -3.749
tors. eta vs tors. theta energy: -4.829
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: 3, replica: 4
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -33.229168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.229168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.229168 (E_RNA)
where:
Base-Base interactions energy: -13.378
where: short stacking energy: -13.378
Base-Backbone interact. energy: -0.001
local terms energy: -19.850598
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.413
flat angles C4'-P-C4' energy: -4.421
flat angles P-C4'-P energy: -3.299
tors. eta vs tors. theta energy: -3.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -31.395057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.395057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.395057 (E_RNA)
where:
Base-Base interactions energy: -11.547
where: short stacking energy: -11.547
Base-Backbone interact. energy: -0.000
local terms energy: -19.847820
where:
bonds (distance) C4'-P energy: -3.691
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -2.232
flat angles P-C4'-P energy: -3.417
tors. eta vs tors. theta energy: -5.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -29.428501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.428501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.428501 (E_RNA)
where:
Base-Base interactions energy: -13.304
where: short stacking energy: -13.304
Base-Backbone interact. energy: -0.000
local terms energy: -16.124182
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -3.815
flat angles C4'-P-C4' energy: -2.764
flat angles P-C4'-P energy: -2.374
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: 6, replica: 8
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -27.355403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.355403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.355403 (E_RNA)
where:
Base-Base interactions energy: -12.581
where: short stacking energy: -12.581
Base-Backbone interact. energy: -0.001
local terms energy: -14.773033
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -3.987
flat angles C4'-P-C4' energy: -1.670
flat angles P-C4'-P energy: -3.023
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: 10
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -30.003068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.003068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.003068 (E_RNA)
where:
Base-Base interactions energy: -12.185
where: short stacking energy: -12.007
Base-Backbone interact. energy: -0.018
local terms energy: -17.800235
where:
bonds (distance) C4'-P energy: -4.634
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.153
flat angles P-C4'-P energy: -2.489
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: 8, replica: 3
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -21.744961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.744961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.744961 (E_RNA)
where:
Base-Base interactions energy: -8.774
where: short stacking energy: -8.774
Base-Backbone interact. energy: -0.034
local terms energy: -12.937329
where:
bonds (distance) C4'-P energy: -3.202
bonds (distance) P-C4' energy: -3.811
flat angles C4'-P-C4' energy: -1.180
flat angles P-C4'-P energy: -4.040
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: 9, replica: 2
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -25.728838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.728838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.728838 (E_RNA)
where:
Base-Base interactions energy: -12.060
where: short stacking energy: -12.060
Base-Backbone interact. energy: -0.003
local terms energy: -13.666007
where:
bonds (distance) C4'-P energy: -3.268
bonds (distance) P-C4' energy: -2.386
flat angles C4'-P-C4' energy: -3.470
flat angles P-C4'-P energy: -2.937
tors. eta vs tors. theta energy: -1.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -23.003322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.003322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.003322 (E_RNA)
where:
Base-Base interactions energy: -6.398
where: short stacking energy: -6.398
Base-Backbone interact. energy: -0.002
local terms energy: -16.603255
where:
bonds (distance) C4'-P energy: -4.038
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -3.690
flat angles P-C4'-P energy: -2.933
tors. eta vs tors. theta energy: -1.060
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: 6
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -36.464767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.464767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.464767 (E_RNA)
where:
Base-Base interactions energy: -15.797
where: short stacking energy: -15.797
Base-Backbone interact. energy: -0.000
local terms energy: -20.667395
where:
bonds (distance) C4'-P energy: -3.716
bonds (distance) P-C4' energy: -4.575
flat angles C4'-P-C4' energy: -4.628
flat angles P-C4'-P energy: -3.855
tors. eta vs tors. theta energy: -3.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -37.938051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.938051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.938051 (E_RNA)
where:
Base-Base interactions energy: -16.915
where: short stacking energy: -16.915
Base-Backbone interact. energy: -0.000
local terms energy: -21.022767
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -4.339
flat angles C4'-P-C4' energy: -4.510
flat angles P-C4'-P energy: -3.388
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: 3, replica: 1
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -31.519047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.519047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.519047 (E_RNA)
where:
Base-Base interactions energy: -12.120
where: short stacking energy: -12.120
Base-Backbone interact. energy: -0.000
local terms energy: -19.399202
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.874
flat angles P-C4'-P energy: -2.253
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: 4, replica: 5
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -31.731159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.731159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.731159 (E_RNA)
where:
Base-Base interactions energy: -12.366
where: short stacking energy: -12.366
Base-Backbone interact. energy: -0.001
local terms energy: -19.364752
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.628
flat angles P-C4'-P energy: -3.428
tors. eta vs tors. theta energy: -1.797
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: 9
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -29.461681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.461681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.461681 (E_RNA)
where:
Base-Base interactions energy: -12.348
where: short stacking energy: -12.348
Base-Backbone interact. energy: -0.000
local terms energy: -17.113722
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -3.548
flat angles C4'-P-C4' energy: -2.587
flat angles P-C4'-P energy: -3.950
tors. eta vs tors. theta energy: -2.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -32.414650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.414650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.414650 (E_RNA)
where:
Base-Base interactions energy: -14.192
where: short stacking energy: -13.280
Base-Backbone interact. energy: -1.923
local terms energy: -16.299666
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -3.637
flat angles C4'-P-C4' energy: -4.035
flat angles P-C4'-P energy: -1.640
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: 7, replica: 10
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -28.220988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.220988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.220988 (E_RNA)
where:
Base-Base interactions energy: -13.966
where: short stacking energy: -8.087
Base-Backbone interact. energy: -0.165
local terms energy: -14.089380
where:
bonds (distance) C4'-P energy: -3.384
bonds (distance) P-C4' energy: -3.751
flat angles C4'-P-C4' energy: -4.154
flat angles P-C4'-P energy: -1.307
tors. eta vs tors. theta energy: -1.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -28.809693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.809693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.809693 (E_RNA)
where:
Base-Base interactions energy: -13.025
where: short stacking energy: -13.025
Base-Backbone interact. energy: -0.000
local terms energy: -15.784273
where:
bonds (distance) C4'-P energy: -2.449
bonds (distance) P-C4' energy: -3.548
flat angles C4'-P-C4' energy: -2.850
flat angles P-C4'-P energy: -3.710
tors. eta vs tors. theta energy: -3.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -30.358344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.358344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.358344 (E_RNA)
where:
Base-Base interactions energy: -13.798
where: short stacking energy: -13.798
Base-Backbone interact. energy: -0.000
local terms energy: -16.560459
where:
bonds (distance) C4'-P energy: -2.892
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -4.345
flat angles P-C4'-P energy: -0.849
tors. eta vs tors. theta energy: -3.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -20.658280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.658280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.658280 (E_RNA)
where:
Base-Base interactions energy: -5.727
where: short stacking energy: -5.727
Base-Backbone interact. energy: -0.001
local terms energy: -14.930591
where:
bonds (distance) C4'-P energy: -2.896
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.841
flat angles P-C4'-P energy: -2.556
tors. eta vs tors. theta energy: -0.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -33.354606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.354606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.354606 (E_RNA)
where:
Base-Base interactions energy: -12.963
where: short stacking energy: -12.963
Base-Backbone interact. energy: -0.000
local terms energy: -20.391613
where:
bonds (distance) C4'-P energy: -4.419
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.721
flat angles P-C4'-P energy: -3.193
tors. eta vs tors. theta energy: -2.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -33.592378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.592378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.592378 (E_RNA)
where:
Base-Base interactions energy: -14.286
where: short stacking energy: -14.286
Base-Backbone interact. energy: -0.000
local terms energy: -19.305791
where:
bonds (distance) C4'-P energy: -4.634
bonds (distance) P-C4' energy: -5.128
flat angles C4'-P-C4' energy: -4.102
flat angles P-C4'-P energy: -2.746
tors. eta vs tors. theta energy: -2.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -29.535314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.535314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.535314 (E_RNA)
where:
Base-Base interactions energy: -11.291
where: short stacking energy: -11.291
Base-Backbone interact. energy: -0.000
local terms energy: -18.244511
where:
bonds (distance) C4'-P energy: -3.683
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.359
flat angles P-C4'-P energy: -3.224
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: 4, replica: 1
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -28.156126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.156126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.156126 (E_RNA)
where:
Base-Base interactions energy: -9.672
where: short stacking energy: -9.672
Base-Backbone interact. energy: -0.000
local terms energy: -18.483869
where:
bonds (distance) C4'-P energy: -3.923
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.535
flat angles P-C4'-P energy: -3.153
tors. eta vs tors. theta energy: -3.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -32.615508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.615508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.615508 (E_RNA)
where:
Base-Base interactions energy: -12.449
where: short stacking energy: -12.449
Base-Backbone interact. energy: -0.000
local terms energy: -20.166478
where:
bonds (distance) C4'-P energy: -3.479
bonds (distance) P-C4' energy: -4.314
flat angles C4'-P-C4' energy: -3.425
flat angles P-C4'-P energy: -3.721
tors. eta vs tors. theta energy: -5.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -33.050349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.050349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.050349 (E_RNA)
where:
Base-Base interactions energy: -14.130
where: short stacking energy: -14.130
Base-Backbone interact. energy: -0.000
local terms energy: -18.920225
where:
bonds (distance) C4'-P energy: -1.766
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -3.853
flat angles P-C4'-P energy: -3.101
tors. eta vs tors. theta energy: -5.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -26.106914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.106914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.106914 (E_RNA)
where:
Base-Base interactions energy: -11.766
where: short stacking energy: -11.766
Base-Backbone interact. energy: -0.002
local terms energy: -14.339309
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.725
flat angles P-C4'-P energy: -0.861
tors. eta vs tors. theta energy: -0.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -25.607050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.607050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.607050 (E_RNA)
where:
Base-Base interactions energy: -12.331
where: short stacking energy: -12.331
Base-Backbone interact. energy: -0.002
local terms energy: -13.274617
where:
bonds (distance) C4'-P energy: -3.045
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -2.602
flat angles P-C4'-P energy: -1.209
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: 9, replica: 7
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -25.202864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.202864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.202864 (E_RNA)
where:
Base-Base interactions energy: -8.107
where: short stacking energy: -8.107
Base-Backbone interact. energy: -0.000
local terms energy: -17.095373
where:
bonds (distance) C4'-P energy: -3.417
bonds (distance) P-C4' energy: -1.173
flat angles C4'-P-C4' energy: -4.580
flat angles P-C4'-P energy: -3.624
tors. eta vs tors. theta energy: -4.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -24.865841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.865841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.865841 (E_RNA)
where:
Base-Base interactions energy: -10.070
where: short stacking energy: -10.070
Base-Backbone interact. energy: -0.001
local terms energy: -14.795064
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -2.327
flat angles C4'-P-C4' energy: -4.191
flat angles P-C4'-P energy: -3.511
tors. eta vs tors. theta energy: -0.239
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: 323
Temperature: 0.900000
Total energy: -36.526332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.526332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.526332 (E_RNA)
where:
Base-Base interactions energy: -16.803
where: short stacking energy: -16.803
Base-Backbone interact. energy: -0.000
local terms energy: -19.723147
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -4.464
flat angles P-C4'-P energy: -3.545
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: 2, replica: 5
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -36.812808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.812808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.812808 (E_RNA)
where:
Base-Base interactions energy: -16.562
where: short stacking energy: -16.562
Base-Backbone interact. energy: -0.000
local terms energy: -20.250459
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -4.006
flat angles P-C4'-P energy: -2.916
tors. eta vs tors. theta energy: -3.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -32.034599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.034599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.034599 (E_RNA)
where:
Base-Base interactions energy: -14.312
where: short stacking energy: -14.312
Base-Backbone interact. energy: -0.000
local terms energy: -17.722470
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -4.354
flat angles P-C4'-P energy: -1.566
tors. eta vs tors. theta energy: -2.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -34.624046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.624046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.624046 (E_RNA)
where:
Base-Base interactions energy: -18.636
where: short stacking energy: -11.352
Base-Backbone interact. energy: -0.004
local terms energy: -15.984110
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -2.032
flat angles P-C4'-P energy: -3.319
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: 5, replica: 1
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -36.591297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.591297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.591297 (E_RNA)
where:
Base-Base interactions energy: -17.756
where: short stacking energy: -17.756
Base-Backbone interact. energy: -0.000
local terms energy: -18.835549
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -3.904
flat angles P-C4'-P energy: -2.217
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: 6, replica: 2
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -26.617357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.617357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.617357 (E_RNA)
where:
Base-Base interactions energy: -6.883
where: short stacking energy: -6.883
Base-Backbone interact. energy: -0.000
local terms energy: -19.734588
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.698
flat angles P-C4'-P energy: -3.843
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: 7, replica: 9
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -30.158613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.158613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.158613 (E_RNA)
where:
Base-Base interactions energy: -11.175
where: short stacking energy: -11.175
Base-Backbone interact. energy: -0.006
local terms energy: -18.978571
where:
bonds (distance) C4'-P energy: -3.815
bonds (distance) P-C4' energy: -4.413
flat angles C4'-P-C4' energy: -4.801
flat angles P-C4'-P energy: -3.210
tors. eta vs tors. theta energy: -2.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -31.932908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.932908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.932908 (E_RNA)
where:
Base-Base interactions energy: -13.701
where: short stacking energy: -13.701
Base-Backbone interact. energy: -0.000
local terms energy: -18.231272
where:
bonds (distance) C4'-P energy: -3.309
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.061
flat angles P-C4'-P energy: -3.324
tors. eta vs tors. theta energy: -2.418
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: 10
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -28.015267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.015267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.015267 (E_RNA)
where:
Base-Base interactions energy: -10.214
where: short stacking energy: -10.214
Base-Backbone interact. energy: -0.000
local terms energy: -17.800989
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.726
flat angles P-C4'-P energy: -2.774
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: 3
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -25.670506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.670506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.670506 (E_RNA)
where:
Base-Base interactions energy: -8.506
where: short stacking energy: -8.506
Base-Backbone interact. energy: -0.033
local terms energy: -17.131136
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.133
flat angles P-C4'-P energy: -3.549
tors. eta vs tors. theta energy: -0.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -38.683321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.683321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.683321 (E_RNA)
where:
Base-Base interactions energy: -17.423
where: short stacking energy: -17.423
Base-Backbone interact. energy: -0.000
local terms energy: -21.260132
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -3.583
flat angles P-C4'-P energy: -2.942
tors. eta vs tors. theta energy: -5.112
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: 324
Temperature: 0.950000
Total energy: -35.858098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.858098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.858098 (E_RNA)
where:
Base-Base interactions energy: -16.711
where: short stacking energy: -16.711
Base-Backbone interact. energy: -0.000
local terms energy: -19.147226
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -4.177
flat angles C4'-P-C4' energy: -4.013
flat angles P-C4'-P energy: -2.723
tors. eta vs tors. theta energy: -4.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -32.453792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.453792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.453792 (E_RNA)
where:
Base-Base interactions energy: -12.734
where: short stacking energy: -12.734
Base-Backbone interact. energy: -0.000
local terms energy: -19.719333
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -3.818
flat angles C4'-P-C4' energy: -3.645
flat angles P-C4'-P energy: -3.418
tors. eta vs tors. theta energy: -4.319
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: 6
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -32.474064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.474064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.474064 (E_RNA)
where:
Base-Base interactions energy: -14.221
where: short stacking energy: -14.221
Base-Backbone interact. energy: -0.000
local terms energy: -18.252939
where:
bonds (distance) C4'-P energy: -2.146
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.648
flat angles P-C4'-P energy: -2.855
tors. eta vs tors. theta energy: -3.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -26.406500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.406500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.406500 (E_RNA)
where:
Base-Base interactions energy: -12.694
where: short stacking energy: -12.677
Base-Backbone interact. energy: -0.670
local terms energy: -13.042805
where:
bonds (distance) C4'-P energy: -3.036
bonds (distance) P-C4' energy: -4.152
flat angles C4'-P-C4' energy: -3.238
flat angles P-C4'-P energy: -1.296
tors. eta vs tors. theta energy: -1.320
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: 324
Temperature: 1.150000
Total energy: -31.876298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.876298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.876298 (E_RNA)
where:
Base-Base interactions energy: -16.093
where: short stacking energy: -9.414
Base-Backbone interact. energy: -0.144
local terms energy: -15.639029
where:
bonds (distance) C4'-P energy: -4.419
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.459
flat angles P-C4'-P energy: -2.675
tors. eta vs tors. theta energy: 1.033
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: 7, replica: 7
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -33.626614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.626614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.626614 (E_RNA)
where:
Base-Base interactions energy: -17.274
where: short stacking energy: -17.274
Base-Backbone interact. energy: -0.000
local terms energy: -16.352441
where:
bonds (distance) C4'-P energy: -3.479
bonds (distance) P-C4' energy: -3.652
flat angles C4'-P-C4' energy: -3.285
flat angles P-C4'-P energy: -2.486
tors. eta vs tors. theta energy: -3.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -27.713288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.713288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.713288 (E_RNA)
where:
Base-Base interactions energy: -9.440
where: short stacking energy: -9.440
Base-Backbone interact. energy: -0.000
local terms energy: -18.272873
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -4.572
flat angles C4'-P-C4' energy: -4.027
flat angles P-C4'-P energy: -3.121
tors. eta vs tors. theta energy: -2.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -26.375282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.375282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.375282 (E_RNA)
where:
Base-Base interactions energy: -10.046
where: short stacking energy: -10.046
Base-Backbone interact. energy: -0.000
local terms energy: -16.328776
where:
bonds (distance) C4'-P energy: -3.309
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -3.261
flat angles P-C4'-P energy: -2.917
tors. eta vs tors. theta energy: -2.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -30.476409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.476409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.476409 (E_RNA)
where:
Base-Base interactions energy: -9.187
where: short stacking energy: -9.187
Base-Backbone interact. energy: -0.000
local terms energy: -21.288920
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -3.592
flat angles P-C4'-P energy: -3.041
tors. eta vs tors. theta energy: -4.789
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: 5
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -30.417030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.417030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.417030 (E_RNA)
where:
Base-Base interactions energy: -12.012
where: short stacking energy: -12.012
Base-Backbone interact. energy: -0.000
local terms energy: -18.405069
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.180
flat angles C4'-P-C4' energy: -3.862
flat angles P-C4'-P energy: -3.740
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: 2, replica: 8
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -35.437771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.437771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.437771 (E_RNA)
where:
Base-Base interactions energy: -15.135
where: short stacking energy: -15.135
Base-Backbone interact. energy: -0.000
local terms energy: -20.303041
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.202
flat angles C4'-P-C4' energy: -3.694
flat angles P-C4'-P energy: -3.318
tors. eta vs tors. theta energy: -4.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -36.324764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.324764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.324764 (E_RNA)
where:
Base-Base interactions energy: -16.349
where: short stacking energy: -16.349
Base-Backbone interact. energy: -0.000
local terms energy: -19.975989
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -4.697
flat angles P-C4'-P energy: -0.838
tors. eta vs tors. theta energy: -5.141
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: 6
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -29.834602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.834602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.834602 (E_RNA)
where:
Base-Base interactions energy: -13.135
where: short stacking energy: -13.135
Base-Backbone interact. energy: -0.014
local terms energy: -16.685517
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -3.815
flat angles C4'-P-C4' energy: -3.603
flat angles P-C4'-P energy: -3.591
tors. eta vs tors. theta energy: -1.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -24.484302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.484302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.484302 (E_RNA)
where:
Base-Base interactions energy: -8.301
where: short stacking energy: -8.301
Base-Backbone interact. energy: -0.052
local terms energy: -16.130713
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.283
flat angles P-C4'-P energy: -2.509
tors. eta vs tors. theta energy: -0.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -25.921939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.921939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.921939 (E_RNA)
where:
Base-Base interactions energy: -10.173
where: short stacking energy: -10.173
Base-Backbone interact. energy: -0.050
local terms energy: -15.699011
where:
bonds (distance) C4'-P energy: -3.112
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.388
flat angles P-C4'-P energy: -1.799
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: 7, replica: 1
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -30.942610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.942610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.942610 (E_RNA)
where:
Base-Base interactions energy: -13.568
where: short stacking energy: -13.568
Base-Backbone interact. energy: -0.000
local terms energy: -17.374517
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.352
flat angles P-C4'-P energy: -0.761
tors. eta vs tors. theta energy: -3.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -30.394889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.394889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.394889 (E_RNA)
where:
Base-Base interactions energy: -13.046
where: short stacking energy: -13.046
Base-Backbone interact. energy: -0.001
local terms energy: -17.348090
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -3.801
flat angles P-C4'-P energy: -2.061
tors. eta vs tors. theta energy: -2.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -27.070569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.070569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.070569 (E_RNA)
where:
Base-Base interactions energy: -10.159
where: short stacking energy: -10.159
Base-Backbone interact. energy: -0.000
local terms energy: -16.911194
where:
bonds (distance) C4'-P energy: -4.009
bonds (distance) P-C4' energy: -2.474
flat angles C4'-P-C4' energy: -4.242
flat angles P-C4'-P energy: -2.641
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: 10, replica: 10
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -23.246882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.246882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.246882 (E_RNA)
where:
Base-Base interactions energy: -9.621
where: short stacking energy: -9.621
Base-Backbone interact. energy: -0.000
local terms energy: -13.625959
where:
bonds (distance) C4'-P energy: -1.882
bonds (distance) P-C4' energy: -2.839
flat angles C4'-P-C4' energy: -3.022
flat angles P-C4'-P energy: -3.465
tors. eta vs tors. theta energy: -2.418
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: 1, replica: 8
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -36.023797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.023797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.023797 (E_RNA)
where:
Base-Base interactions energy: -16.519
where: short stacking energy: -16.519
Base-Backbone interact. energy: -0.000
local terms energy: -19.504778
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -5.104
flat angles C4'-P-C4' energy: -4.165
flat angles P-C4'-P energy: -1.579
tors. eta vs tors. theta energy: -5.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -35.159312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.159312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.159312 (E_RNA)
where:
Base-Base interactions energy: -14.566
where: short stacking energy: -14.566
Base-Backbone interact. energy: -0.000
local terms energy: -20.593770
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.731
flat angles P-C4'-P energy: -3.392
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: 3, replica: 6
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -33.161616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.161616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.161616 (E_RNA)
where:
Base-Base interactions energy: -13.434
where: short stacking energy: -13.434
Base-Backbone interact. energy: -0.000
local terms energy: -19.727707
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.944
flat angles P-C4'-P energy: -3.575
tors. eta vs tors. theta energy: -2.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -33.373477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.373477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.373477 (E_RNA)
where:
Base-Base interactions energy: -17.043
where: short stacking energy: -17.043
Base-Backbone interact. energy: -0.000
local terms energy: -16.330122
where:
bonds (distance) C4'-P energy: 0.627
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -4.468
flat angles P-C4'-P energy: -3.794
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: 5, replica: 2
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -37.028344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.028344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.028344 (E_RNA)
where:
Base-Base interactions energy: -14.904
where: short stacking energy: -14.904
Base-Backbone interact. energy: -0.000
local terms energy: -22.124242
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.709
flat angles P-C4'-P energy: -3.739
tors. eta vs tors. theta energy: -5.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -30.450312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.450312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.450312 (E_RNA)
where:
Base-Base interactions energy: -16.072
where: short stacking energy: -7.934
Base-Backbone interact. energy: -0.012
local terms energy: -14.366502
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -3.552
flat angles P-C4'-P energy: -1.872
tors. eta vs tors. theta energy: -0.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -29.401139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.401139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.401139 (E_RNA)
where:
Base-Base interactions energy: -11.716
where: short stacking energy: -11.716
Base-Backbone interact. energy: -0.000
local terms energy: -17.684999
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -3.840
flat angles P-C4'-P energy: -3.702
tors. eta vs tors. theta energy: -1.704
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: 1
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -29.685381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.685381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.685381 (E_RNA)
where:
Base-Base interactions energy: -13.586
where: short stacking energy: -13.586
Base-Backbone interact. energy: -0.000
local terms energy: -16.099327
where:
bonds (distance) C4'-P energy: -1.774
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -4.472
flat angles P-C4'-P energy: -2.803
tors. eta vs tors. theta energy: -2.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -24.834748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.834748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.834748 (E_RNA)
where:
Base-Base interactions energy: -11.814
where: short stacking energy: -11.814
Base-Backbone interact. energy: -0.061
local terms energy: -12.959335
where:
bonds (distance) C4'-P energy: -3.773
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.364
flat angles P-C4'-P energy: 0.927
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: 10
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -27.078436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.078436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.078436 (E_RNA)
where:
Base-Base interactions energy: -10.018
where: short stacking energy: -10.018
Base-Backbone interact. energy: -0.000
local terms energy: -17.060325
where:
bonds (distance) C4'-P energy: -2.759
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -3.900
flat angles P-C4'-P energy: -3.374
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: 8
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -39.251146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.251146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.251146 (E_RNA)
where:
Base-Base interactions energy: -17.685
where: short stacking energy: -17.685
Base-Backbone interact. energy: -0.000
local terms energy: -21.565928
where:
bonds (distance) C4'-P energy: -3.781
bonds (distance) P-C4' energy: -4.373
flat angles C4'-P-C4' energy: -4.595
flat angles P-C4'-P energy: -3.311
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: 2, replica: 6
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -37.653070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.653070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.653070 (E_RNA)
where:
Base-Base interactions energy: -15.261
where: short stacking energy: -15.261
Base-Backbone interact. energy: -0.000
local terms energy: -22.392411
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.394
flat angles P-C4'-P energy: -3.636
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: 3, replica: 5
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -33.629463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.629463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.629463 (E_RNA)
where:
Base-Base interactions energy: -16.848
where: short stacking energy: -16.848
Base-Backbone interact. energy: -0.000
local terms energy: -16.781221
where:
bonds (distance) C4'-P energy: -3.708
bonds (distance) P-C4' energy: -4.336
flat angles C4'-P-C4' energy: -3.782
flat angles P-C4'-P energy: -2.406
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: 4, replica: 2
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -31.072394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.072394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.072394 (E_RNA)
where:
Base-Base interactions energy: -14.253
where: short stacking energy: -14.253
Base-Backbone interact. energy: -0.000
local terms energy: -16.819172
where:
bonds (distance) C4'-P energy: -2.510
bonds (distance) P-C4' energy: -4.832
flat angles C4'-P-C4' energy: -4.820
flat angles P-C4'-P energy: -2.937
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: 5, replica: 4
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -27.183253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.183253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.183253 (E_RNA)
where:
Base-Base interactions energy: -10.951
where: short stacking energy: -10.951
Base-Backbone interact. energy: -0.001
local terms energy: -16.231399
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -3.628
flat angles C4'-P-C4' energy: -4.358
flat angles P-C4'-P energy: -0.571
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: 6, replica: 3
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -22.220149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.220149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.220149 (E_RNA)
where:
Base-Base interactions energy: -7.241
where: short stacking energy: -7.241
Base-Backbone interact. energy: -0.005
local terms energy: -14.973953
where:
bonds (distance) C4'-P energy: -3.301
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -2.957
flat angles P-C4'-P energy: -3.000
tors. eta vs tors. theta energy: -0.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -26.889815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.889815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.889815 (E_RNA)
where:
Base-Base interactions energy: -8.458
where: short stacking energy: -8.458
Base-Backbone interact. energy: -0.000
local terms energy: -18.432159
where:
bonds (distance) C4'-P energy: -3.815
bonds (distance) P-C4' energy: -4.624
flat angles C4'-P-C4' energy: -3.669
flat angles P-C4'-P energy: -3.157
tors. eta vs tors. theta energy: -3.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -23.459555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.459555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.459555 (E_RNA)
where:
Base-Base interactions energy: -8.634
where: short stacking energy: -8.634
Base-Backbone interact. energy: -0.000
local terms energy: -14.825481
where:
bonds (distance) C4'-P energy: -3.045
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -2.813
flat angles P-C4'-P energy: -2.427
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: 1
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -26.473558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.473558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.473558 (E_RNA)
where:
Base-Base interactions energy: -10.325
where: short stacking energy: -10.325
Base-Backbone interact. energy: -0.000
local terms energy: -16.148445
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -3.128
flat angles C4'-P-C4' energy: -3.631
flat angles P-C4'-P energy: -2.639
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: 10, replica: 10
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -25.259229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.259229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.259229 (E_RNA)
where:
Base-Base interactions energy: -9.568
where: short stacking energy: -9.568
Base-Backbone interact. energy: -0.007
local terms energy: -15.683786
where:
bonds (distance) C4'-P energy: -4.039
bonds (distance) P-C4' energy: -4.053
flat angles C4'-P-C4' energy: -3.499
flat angles P-C4'-P energy: -2.253
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: 6
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -32.951979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.951979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.951979 (E_RNA)
where:
Base-Base interactions energy: -12.849
where: short stacking energy: -12.849
Base-Backbone interact. energy: -0.000
local terms energy: -20.103245
where:
bonds (distance) C4'-P energy: -4.154
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.904
flat angles P-C4'-P energy: -3.663
tors. eta vs tors. theta energy: -3.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -33.423863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.423863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.423863 (E_RNA)
where:
Base-Base interactions energy: -12.363
where: short stacking energy: -12.363
Base-Backbone interact. energy: -0.000
local terms energy: -21.060619
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.221
flat angles P-C4'-P energy: -2.886
tors. eta vs tors. theta energy: -4.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -28.421530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.421530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.421530 (E_RNA)
where:
Base-Base interactions energy: -13.394
where: short stacking energy: -9.348
Base-Backbone interact. energy: -0.014
local terms energy: -15.014112
where:
bonds (distance) C4'-P energy: -1.492
bonds (distance) P-C4' energy: -3.367
flat angles C4'-P-C4' energy: -3.789
flat angles P-C4'-P energy: -3.388
tors. eta vs tors. theta energy: -2.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -33.128244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.128244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.128244 (E_RNA)
where:
Base-Base interactions energy: -16.890
where: short stacking energy: -8.900
Base-Backbone interact. energy: -0.004
local terms energy: -16.233766
where:
bonds (distance) C4'-P energy: -1.935
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -4.627
flat angles P-C4'-P energy: -3.291
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: 5, replica: 3
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -31.640297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.640297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.640297 (E_RNA)
where:
Base-Base interactions energy: -11.782
where: short stacking energy: -11.782
Base-Backbone interact. energy: -0.000
local terms energy: -19.858201
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -4.186
flat angles P-C4'-P energy: -2.866
tors. eta vs tors. theta energy: -4.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -29.825198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.825198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.825198 (E_RNA)
where:
Base-Base interactions energy: -11.053
where: short stacking energy: -11.053
Base-Backbone interact. energy: -0.000
local terms energy: -18.771795
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -3.941
flat angles C4'-P-C4' energy: -4.340
flat angles P-C4'-P energy: -3.769
tors. eta vs tors. theta energy: -2.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -25.548596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.548596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.548596 (E_RNA)
where:
Base-Base interactions energy: -10.595
where: short stacking energy: -10.595
Base-Backbone interact. energy: -0.001
local terms energy: -14.953093
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -3.889
flat angles C4'-P-C4' energy: -3.741
flat angles P-C4'-P energy: -1.699
tors. eta vs tors. theta energy: -1.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -32.273299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.273299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.273299 (E_RNA)
where:
Base-Base interactions energy: -13.796
where: short stacking energy: -13.796
Base-Backbone interact. energy: -0.000
local terms energy: -18.476822
where:
bonds (distance) C4'-P energy: -4.038
bonds (distance) P-C4' energy: -4.053
flat angles C4'-P-C4' energy: -3.938
flat angles P-C4'-P energy: -2.853
tors. eta vs tors. theta energy: -3.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -25.861845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.861845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.861845 (E_RNA)
where:
Base-Base interactions energy: -8.888
where: short stacking energy: -8.888
Base-Backbone interact. energy: -0.000
local terms energy: -16.973491
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -4.574
flat angles P-C4'-P energy: -3.069
tors. eta vs tors. theta energy: -0.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -22.462526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.462526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.462526 (E_RNA)
where:
Base-Base interactions energy: -5.908
where: short stacking energy: -5.908
Base-Backbone interact. energy: -0.009
local terms energy: -16.546108
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -3.490
flat angles C4'-P-C4' energy: -4.487
flat angles P-C4'-P energy: -3.641
tors. eta vs tors. theta energy: -0.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -38.812344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.812344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.812344 (E_RNA)
where:
Base-Base interactions energy: -22.660
where: short stacking energy: -12.513
Base-Backbone interact. energy: -0.005
local terms energy: -16.147894
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -3.106
flat angles C4'-P-C4' energy: -4.274
flat angles P-C4'-P energy: -2.745
tors. eta vs tors. theta energy: -1.744
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: 2
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -30.576378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.576378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.576378 (E_RNA)
where:
Base-Base interactions energy: -10.852
where: short stacking energy: -10.852
Base-Backbone interact. energy: -0.004
local terms energy: -19.719828
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.183
flat angles P-C4'-P energy: -3.777
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: 3, replica: 8
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -32.307171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.307171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.307171 (E_RNA)
where:
Base-Base interactions energy: -16.721
where: short stacking energy: -16.721
Base-Backbone interact. energy: -0.000
local terms energy: -15.586510
where:
bonds (distance) C4'-P energy: -3.433
bonds (distance) P-C4' energy: -1.935
flat angles C4'-P-C4' energy: -3.633
flat angles P-C4'-P energy: -2.823
tors. eta vs tors. theta energy: -3.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -31.882283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.882283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.882283 (E_RNA)
where:
Base-Base interactions energy: -12.417
where: short stacking energy: -12.417
Base-Backbone interact. energy: -0.000
local terms energy: -19.465069
where:
bonds (distance) C4'-P energy: -4.332
bonds (distance) P-C4' energy: -4.624
flat angles C4'-P-C4' energy: -4.163
flat angles P-C4'-P energy: -1.388
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: 5, replica: 5
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -25.922042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.922042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.922042 (E_RNA)
where:
Base-Base interactions energy: -13.428
where: short stacking energy: -9.085
Base-Backbone interact. energy: -0.000
local terms energy: -12.494349
where:
bonds (distance) C4'-P energy: -2.093
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.888
flat angles P-C4'-P energy: -0.706
tors. eta vs tors. theta energy: -0.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -33.608004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.608004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.608004 (E_RNA)
where:
Base-Base interactions energy: -14.195
where: short stacking energy: -14.195
Base-Backbone interact. energy: -0.000
local terms energy: -19.412707
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.627
flat angles P-C4'-P energy: -3.233
tors. eta vs tors. theta energy: -2.151
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: 329
Temperature: 1.200000
Total energy: -28.527730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.527730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.527730 (E_RNA)
where:
Base-Base interactions energy: -13.990
where: short stacking energy: -13.990
Base-Backbone interact. energy: -0.000
local terms energy: -14.537750
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -3.068
flat angles C4'-P-C4' energy: -2.705
flat angles P-C4'-P energy: -2.539
tors. eta vs tors. theta energy: -1.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -32.770135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.770135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.770135 (E_RNA)
where:
Base-Base interactions energy: -11.874
where: short stacking energy: -11.874
Base-Backbone interact. energy: -0.000
local terms energy: -20.896040
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.339
flat angles C4'-P-C4' energy: -4.092
flat angles P-C4'-P energy: -3.853
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: 7
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -21.995400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.995400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.995400 (E_RNA)
where:
Base-Base interactions energy: -7.058
where: short stacking energy: -7.058
Base-Backbone interact. energy: -0.002
local terms energy: -14.934772
where:
bonds (distance) C4'-P energy: -2.954
bonds (distance) P-C4' energy: -4.053
flat angles C4'-P-C4' energy: -4.237
flat angles P-C4'-P energy: -2.826
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: 10, replica: 1
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -23.583363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.583363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.583363 (E_RNA)
where:
Base-Base interactions energy: -9.461
where: short stacking energy: -9.461
Base-Backbone interact. energy: -0.000
local terms energy: -14.122202
where:
bonds (distance) C4'-P energy: -1.906
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.138
flat angles P-C4'-P energy: -2.725
tors. eta vs tors. theta energy: -0.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -38.430672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.430672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.430672 (E_RNA)
where:
Base-Base interactions energy: -17.197
where: short stacking energy: -17.197
Base-Backbone interact. energy: -0.000
local terms energy: -21.233704
where:
bonds (distance) C4'-P energy: -4.303
bonds (distance) P-C4' energy: -4.628
flat angles C4'-P-C4' energy: -4.225
flat angles P-C4'-P energy: -4.053
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: 2, replica: 2
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -37.147609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.147609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.147609 (E_RNA)
where:
Base-Base interactions energy: -16.649
where: short stacking energy: -16.649
Base-Backbone interact. energy: -0.000
local terms energy: -20.498268
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -2.787
flat angles P-C4'-P energy: -3.740
tors. eta vs tors. theta energy: -4.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -28.711447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.711447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.711447 (E_RNA)
where:
Base-Base interactions energy: -14.447
where: short stacking energy: -7.783
Base-Backbone interact. energy: -0.203
local terms energy: -14.061370
where:
bonds (distance) C4'-P energy: -2.182
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.114
flat angles P-C4'-P energy: -1.584
tors. eta vs tors. theta energy: -0.827
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: 4, replica: 8
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -30.702203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.702203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.702203 (E_RNA)
where:
Base-Base interactions energy: -13.010
where: short stacking energy: -13.010
Base-Backbone interact. energy: -0.018
local terms energy: -17.674459
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -3.606
flat angles P-C4'-P energy: -1.374
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: 5, replica: 5
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -23.795974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.795974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.795974 (E_RNA)
where:
Base-Base interactions energy: -6.744
where: short stacking energy: -6.744
Base-Backbone interact. energy: -0.006
local terms energy: -17.045979
where:
bonds (distance) C4'-P energy: -2.962
bonds (distance) P-C4' energy: -4.410
flat angles C4'-P-C4' energy: -4.237
flat angles P-C4'-P energy: -3.758
tors. eta vs tors. theta energy: -1.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -27.924678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.924678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.924678 (E_RNA)
where:
Base-Base interactions energy: -12.557
where: short stacking energy: -12.557
Base-Backbone interact. energy: -0.000
local terms energy: -15.367679
where:
bonds (distance) C4'-P energy: -3.372
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -3.219
flat angles P-C4'-P energy: 0.699
tors. eta vs tors. theta energy: -4.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -25.551804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.551804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.551804 (E_RNA)
where:
Base-Base interactions energy: -10.385
where: short stacking energy: -10.385
Base-Backbone interact. energy: -0.000
local terms energy: -15.166756
where:
bonds (distance) C4'-P energy: -1.882
bonds (distance) P-C4' energy: -3.096
flat angles C4'-P-C4' energy: -4.765
flat angles P-C4'-P energy: -2.844
tors. eta vs tors. theta energy: -2.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -23.935570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.935570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.935570 (E_RNA)
where:
Base-Base interactions energy: -6.545
where: short stacking energy: -6.545
Base-Backbone interact. energy: -0.000
local terms energy: -17.390195
where:
bonds (distance) C4'-P energy: -1.985
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.000
flat angles P-C4'-P energy: -2.637
tors. eta vs tors. theta energy: -3.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -23.601689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.601689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.601689 (E_RNA)
where:
Base-Base interactions energy: -7.929
where: short stacking energy: -7.929
Base-Backbone interact. energy: -0.001
local terms energy: -15.671300
where:
bonds (distance) C4'-P energy: -3.699
bonds (distance) P-C4' energy: -3.131
flat angles C4'-P-C4' energy: -4.242
flat angles P-C4'-P energy: -2.986
tors. eta vs tors. theta energy: -1.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -27.661807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.661807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.661807 (E_RNA)
where:
Base-Base interactions energy: -10.211
where: short stacking energy: -10.211
Base-Backbone interact. energy: -0.000
local terms energy: -17.451091
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -2.029
flat angles C4'-P-C4' energy: -4.840
flat angles P-C4'-P energy: -3.637
tors. eta vs tors. theta energy: -2.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -39.192430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.192430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.192430 (E_RNA)
where:
Base-Base interactions energy: -17.753
where: short stacking energy: -17.753
Base-Backbone interact. energy: -0.000
local terms energy: -21.439189
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -3.215
flat angles P-C4'-P energy: -4.102
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: 2, replica: 3
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -36.777871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.777871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.777871 (E_RNA)
where:
Base-Base interactions energy: -21.946
where: short stacking energy: -13.679
Base-Backbone interact. energy: -0.000
local terms energy: -14.831075
where:
bonds (distance) C4'-P energy: -3.673
bonds (distance) P-C4' energy: -4.149
flat angles C4'-P-C4' energy: -4.135
flat angles P-C4'-P energy: -2.808
tors. eta vs tors. theta energy: -0.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -37.763856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.763856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.763856 (E_RNA)
where:
Base-Base interactions energy: -18.871
where: short stacking energy: -9.005
Base-Backbone interact. energy: -0.009
local terms energy: -18.882907
where:
bonds (distance) C4'-P energy: -3.202
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.346
flat angles P-C4'-P energy: -3.939
tors. eta vs tors. theta energy: -2.041
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: 5
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -30.963478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.963478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.963478 (E_RNA)
where:
Base-Base interactions energy: -12.768
where: short stacking energy: -12.768
Base-Backbone interact. energy: -0.006
local terms energy: -18.189495
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.406
flat angles C4'-P-C4' energy: -3.989
flat angles P-C4'-P energy: -2.521
tors. eta vs tors. theta energy: -2.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -33.126355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.126355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.126355 (E_RNA)
where:
Base-Base interactions energy: -12.729
where: short stacking energy: -12.729
Base-Backbone interact. energy: -0.000
local terms energy: -20.397625
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -4.309
flat angles P-C4'-P energy: -3.473
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: 6, replica: 10
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -29.438924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.438924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.438924 (E_RNA)
where:
Base-Base interactions energy: -12.219
where: short stacking energy: -12.219
Base-Backbone interact. energy: -0.000
local terms energy: -17.220248
where:
bonds (distance) C4'-P energy: -2.804
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -3.958
flat angles P-C4'-P energy: -3.023
tors. eta vs tors. theta energy: -2.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -27.741846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.741846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.741846 (E_RNA)
where:
Base-Base interactions energy: -10.342
where: short stacking energy: -10.342
Base-Backbone interact. energy: -0.000
local terms energy: -17.399737
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.186
flat angles P-C4'-P energy: -0.605
tors. eta vs tors. theta energy: -3.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -28.136434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.136434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.136434 (E_RNA)
where:
Base-Base interactions energy: -8.634
where: short stacking energy: -8.634
Base-Backbone interact. energy: -0.000
local terms energy: -19.502332
where:
bonds (distance) C4'-P energy: -3.861
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.274
flat angles P-C4'-P energy: -4.098
tors. eta vs tors. theta energy: -2.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -25.885933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.885933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.885933 (E_RNA)
where:
Base-Base interactions energy: -11.515
where: short stacking energy: -11.515
Base-Backbone interact. energy: -0.000
local terms energy: -14.370576
where:
bonds (distance) C4'-P energy: -3.479
bonds (distance) P-C4' energy: -4.649
flat angles C4'-P-C4' energy: -2.099
flat angles P-C4'-P energy: -3.070
tors. eta vs tors. theta energy: -1.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -31.252878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.252878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.252878 (E_RNA)
where:
Base-Base interactions energy: -11.648
where: short stacking energy: -11.648
Base-Backbone interact. energy: -0.000
local terms energy: -19.604737
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -2.839
flat angles C4'-P-C4' energy: -3.561
flat angles P-C4'-P energy: -4.006
tors. eta vs tors. theta energy: -4.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -38.336298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.336298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.336298 (E_RNA)
where:
Base-Base interactions energy: -18.123
where: short stacking energy: -18.123
Base-Backbone interact. energy: -0.000
local terms energy: -20.213603
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -3.332
flat angles C4'-P-C4' energy: -4.049
flat angles P-C4'-P energy: -3.156
tors. eta vs tors. theta energy: -5.150
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: 6
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -32.766907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.766907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.766907 (E_RNA)
where:
Base-Base interactions energy: -17.082
where: short stacking energy: -17.082
Base-Backbone interact. energy: -0.000
local terms energy: -15.684498
where:
bonds (distance) C4'-P energy: -1.675
bonds (distance) P-C4' energy: -3.518
flat angles C4'-P-C4' energy: -3.703
flat angles P-C4'-P energy: -2.555
tors. eta vs tors. theta energy: -4.233
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: 3, replica: 5
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -31.897947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.897947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.897947 (E_RNA)
where:
Base-Base interactions energy: -14.652
where: short stacking energy: -14.652
Base-Backbone interact. energy: -0.001
local terms energy: -17.244769
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -4.500
flat angles P-C4'-P energy: -2.424
tors. eta vs tors. theta energy: -1.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -28.825057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.825057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.825057 (E_RNA)
where:
Base-Base interactions energy: -8.797
where: short stacking energy: -8.797
Base-Backbone interact. energy: -0.000
local terms energy: -20.028185
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -4.839
flat angles P-C4'-P energy: -3.370
tors. eta vs tors. theta energy: -2.537
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: 10
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -31.510498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.510498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.510498 (E_RNA)
where:
Base-Base interactions energy: -13.856
where: short stacking energy: -13.856
Base-Backbone interact. energy: -0.000
local terms energy: -17.654803
where:
bonds (distance) C4'-P energy: -3.372
bonds (distance) P-C4' energy: -3.991
flat angles C4'-P-C4' energy: -4.132
flat angles P-C4'-P energy: -3.135
tors. eta vs tors. theta energy: -3.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -29.711567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.711567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.711567 (E_RNA)
where:
Base-Base interactions energy: -13.703
where: short stacking energy: -5.701
Base-Backbone interact. energy: -0.006
local terms energy: -16.003042
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.628
flat angles C4'-P-C4' energy: -4.640
flat angles P-C4'-P energy: -1.884
tors. eta vs tors. theta energy: -0.751
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: 7
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -24.033235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.033235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.033235 (E_RNA)
where:
Base-Base interactions energy: -7.795
where: short stacking energy: -7.795
Base-Backbone interact. energy: -0.000
local terms energy: -16.238616
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -4.674
flat angles C4'-P-C4' energy: -3.136
flat angles P-C4'-P energy: -3.426
tors. eta vs tors. theta energy: -1.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -31.554241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.554241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.554241 (E_RNA)
where:
Base-Base interactions energy: -13.447
where: short stacking energy: -13.447
Base-Backbone interact. energy: -0.000
local terms energy: -18.106731
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -3.100
flat angles C4'-P-C4' energy: -4.924
flat angles P-C4'-P energy: -2.511
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: 1
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -22.546219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.546219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.546219 (E_RNA)
where:
Base-Base interactions energy: -8.691
where: short stacking energy: -8.691
Base-Backbone interact. energy: 0.245
local terms energy: -14.100451
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -3.981
flat angles C4'-P-C4' energy: -2.589
flat angles P-C4'-P energy: -2.928
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: 10, replica: 9
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -24.020333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.020333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.020333 (E_RNA)
where:
Base-Base interactions energy: -7.647
where: short stacking energy: -7.647
Base-Backbone interact. energy: -0.000
local terms energy: -16.373672
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -2.894
flat angles P-C4'-P energy: -1.974
tors. eta vs tors. theta energy: -3.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -29.482547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.482547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.482547 (E_RNA)
where:
Base-Base interactions energy: -13.158
where: short stacking energy: -13.158
Base-Backbone interact. energy: -0.000
local terms energy: -16.324405
where:
bonds (distance) C4'-P energy: -3.363
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -3.282
flat angles P-C4'-P energy: -2.503
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: 2, replica: 6
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -38.983166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.983166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.983166 (E_RNA)
where:
Base-Base interactions energy: -22.380
where: short stacking energy: -13.875
Base-Backbone interact. energy: -0.001
local terms energy: -16.601955
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -2.922
flat angles P-C4'-P energy: -3.540
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: 3, replica: 5
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -33.500295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.500295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.500295 (E_RNA)
where:
Base-Base interactions energy: -13.623
where: short stacking energy: -13.623
Base-Backbone interact. energy: -0.000
local terms energy: -19.877517
where:
bonds (distance) C4'-P energy: -4.154
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.276
flat angles P-C4'-P energy: -2.562
tors. eta vs tors. theta energy: -3.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -33.139611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.139611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.139611 (E_RNA)
where:
Base-Base interactions energy: -13.423
where: short stacking energy: -13.423
Base-Backbone interact. energy: -0.000
local terms energy: -19.716743
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.563
flat angles P-C4'-P energy: -3.685
tors. eta vs tors. theta energy: -3.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -35.845614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.845614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.845614 (E_RNA)
where:
Base-Base interactions energy: -16.988
where: short stacking energy: -9.497
Base-Backbone interact. energy: -0.054
local terms energy: -18.803551
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -3.991
flat angles C4'-P-C4' energy: -4.277
flat angles P-C4'-P energy: -2.858
tors. eta vs tors. theta energy: -3.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -31.839381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.839381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.839381 (E_RNA)
where:
Base-Base interactions energy: -12.048
where: short stacking energy: -12.048
Base-Backbone interact. energy: -0.000
local terms energy: -19.790952
where:
bonds (distance) C4'-P energy: -3.815
bonds (distance) P-C4' energy: -4.047
flat angles C4'-P-C4' energy: -4.647
flat angles P-C4'-P energy: -2.913
tors. eta vs tors. theta energy: -4.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -26.378724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.378724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.378724 (E_RNA)
where:
Base-Base interactions energy: -10.345
where: short stacking energy: -10.345
Base-Backbone interact. energy: -0.000
local terms energy: -16.033676
where:
bonds (distance) C4'-P energy: -3.699
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.006
flat angles P-C4'-P energy: -2.907
tors. eta vs tors. theta energy: -1.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -25.851799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.851799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.851799 (E_RNA)
where:
Base-Base interactions energy: -7.192
where: short stacking energy: -7.192
Base-Backbone interact. energy: -0.000
local terms energy: -18.660152
where:
bonds (distance) C4'-P energy: -3.923
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -4.500
flat angles P-C4'-P energy: -1.788
tors. eta vs tors. theta energy: -3.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -28.019516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.019516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.019516 (E_RNA)
where:
Base-Base interactions energy: -10.152
where: short stacking energy: -10.152
Base-Backbone interact. energy: -0.000
local terms energy: -17.866871
where:
bonds (distance) C4'-P energy: -2.552
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.080
flat angles P-C4'-P energy: -3.777
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: 10, replica: 9
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -27.215635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.215635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.215635 (E_RNA)
where:
Base-Base interactions energy: -10.357
where: short stacking energy: -10.357
Base-Backbone interact. energy: -0.000
local terms energy: -16.859122
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -2.951
flat angles P-C4'-P energy: -2.591
tors. eta vs tors. theta energy: -1.705
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: 1, replica: 6
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -37.833707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.833707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.833707 (E_RNA)
where:
Base-Base interactions energy: -17.141
where: short stacking energy: -8.118
Base-Backbone interact. energy: -0.003
local terms energy: -20.689197
where:
bonds (distance) C4'-P energy: -4.535
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -4.698
flat angles P-C4'-P energy: -3.729
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: 2, replica: 3
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -32.774676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.774676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.774676 (E_RNA)
where:
Base-Base interactions energy: -12.440
where: short stacking energy: -12.440
Base-Backbone interact. energy: -0.000
local terms energy: -20.334325
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.239
flat angles P-C4'-P energy: -3.291
tors. eta vs tors. theta energy: -3.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -34.168541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.168541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.168541 (E_RNA)
where:
Base-Base interactions energy: -14.255
where: short stacking energy: -14.255
Base-Backbone interact. energy: -0.000
local terms energy: -19.913372
where:
bonds (distance) C4'-P energy: -4.634
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.711
flat angles P-C4'-P energy: -2.719
tors. eta vs tors. theta energy: -3.495
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: 5
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -30.465129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.465129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.465129 (E_RNA)
where:
Base-Base interactions energy: -12.470
where: short stacking energy: -12.470
Base-Backbone interact. energy: -0.001
local terms energy: -17.993852
where:
bonds (distance) C4'-P energy: -3.691
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -3.449
flat angles P-C4'-P energy: -2.159
tors. eta vs tors. theta energy: -3.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -30.678496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.678496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.678496 (E_RNA)
where:
Base-Base interactions energy: -11.315
where: short stacking energy: -11.315
Base-Backbone interact. energy: -0.000
local terms energy: -19.363238
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.011
flat angles P-C4'-P energy: -3.460
tors. eta vs tors. theta energy: -2.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -31.124397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.124397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.124397 (E_RNA)
where:
Base-Base interactions energy: -12.436
where: short stacking energy: -12.436
Base-Backbone interact. energy: -0.000
local terms energy: -18.688067
where:
bonds (distance) C4'-P energy: -2.859
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.468
flat angles P-C4'-P energy: -3.439
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: 7, replica: 1
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -28.877791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.877791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.877791 (E_RNA)
where:
Base-Base interactions energy: -8.760
where: short stacking energy: -8.760
Base-Backbone interact. energy: -0.000
local terms energy: -20.117678
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.140
flat angles P-C4'-P energy: -3.241
tors. eta vs tors. theta energy: -4.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -23.949588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.949588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.949588 (E_RNA)
where:
Base-Base interactions energy: -7.649
where: short stacking energy: -7.649
Base-Backbone interact. energy: -0.011
local terms energy: -16.288673
where:
bonds (distance) C4'-P energy: -3.384
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -3.845
flat angles P-C4'-P energy: -2.726
tors. eta vs tors. theta energy: -1.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -28.449777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.449777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.449777 (E_RNA)
where:
Base-Base interactions energy: -11.772
where: short stacking energy: -11.772
Base-Backbone interact. energy: -0.000
local terms energy: -16.677292
where:
bonds (distance) C4'-P energy: -4.038
bonds (distance) P-C4' energy: -2.336
flat angles C4'-P-C4' energy: -3.968
flat angles P-C4'-P energy: -3.606
tors. eta vs tors. theta energy: -2.728
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: 4
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -27.722033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.722033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.722033 (E_RNA)
where:
Base-Base interactions energy: -11.997
where: short stacking energy: -11.997
Base-Backbone interact. energy: -0.000
local terms energy: -15.724701
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -2.588
flat angles C4'-P-C4' energy: -4.042
flat angles P-C4'-P energy: -0.182
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: 335
Temperature: 0.900000
Total energy: -37.580672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.580672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.580672 (E_RNA)
where:
Base-Base interactions energy: -16.079
where: short stacking energy: -16.079
Base-Backbone interact. energy: -0.000
local terms energy: -21.501884
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -4.434
flat angles P-C4'-P energy: -1.914
tors. eta vs tors. theta energy: -5.511
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: 10
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -33.899654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.899654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.899654 (E_RNA)
where:
Base-Base interactions energy: -12.960
where: short stacking energy: -12.960
Base-Backbone interact. energy: -0.000
local terms energy: -20.939306
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.289
flat angles P-C4'-P energy: -3.803
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: 3, replica: 3
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -36.321955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.321955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.321955 (E_RNA)
where:
Base-Base interactions energy: -17.241
where: short stacking energy: -17.241
Base-Backbone interact. energy: -0.000
local terms energy: -19.080574
where:
bonds (distance) C4'-P energy: -3.128
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.614
flat angles P-C4'-P energy: -0.806
tors. eta vs tors. theta energy: -5.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -30.150129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.150129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.150129 (E_RNA)
where:
Base-Base interactions energy: -11.399
where: short stacking energy: -8.526
Base-Backbone interact. energy: -0.001
local terms energy: -18.750557
where:
bonds (distance) C4'-P energy: -3.152
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -3.865
flat angles P-C4'-P energy: -3.477
tors. eta vs tors. theta energy: -3.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -32.778322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.778322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.778322 (E_RNA)
where:
Base-Base interactions energy: -16.444
where: short stacking energy: -16.444
Base-Backbone interact. energy: -0.000
local terms energy: -16.334658
where:
bonds (distance) C4'-P energy: -1.417
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.544
flat angles P-C4'-P energy: -2.095
tors. eta vs tors. theta energy: -3.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -28.376367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.376367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.376367 (E_RNA)
where:
Base-Base interactions energy: -9.690
where: short stacking energy: -9.690
Base-Backbone interact. energy: -0.000
local terms energy: -18.686663
where:
bonds (distance) C4'-P energy: -3.268
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.519
flat angles P-C4'-P energy: -3.273
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: 7, replica: 7
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -29.447804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.447804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.447804 (E_RNA)
where:
Base-Base interactions energy: -10.966
where: short stacking energy: -10.966
Base-Backbone interact. energy: -0.000
local terms energy: -18.481355
where:
bonds (distance) C4'-P energy: -3.939
bonds (distance) P-C4' energy: -3.578
flat angles C4'-P-C4' energy: -4.079
flat angles P-C4'-P energy: -3.359
tors. eta vs tors. theta energy: -3.526
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: 9
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -25.978365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.978365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.978365 (E_RNA)
where:
Base-Base interactions energy: -10.771
where: short stacking energy: -10.771
Base-Backbone interact. energy: -0.000
local terms energy: -15.207187
where:
bonds (distance) C4'-P energy: -4.163
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -1.887
flat angles P-C4'-P energy: -0.570
tors. eta vs tors. theta energy: -3.916
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: 8
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -25.622003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.622003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.622003 (E_RNA)
where:
Base-Base interactions energy: -10.407
where: short stacking energy: -10.407
Base-Backbone interact. energy: -0.008
local terms energy: -15.207004
where:
bonds (distance) C4'-P energy: -2.598
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.552
flat angles P-C4'-P energy: -2.626
tors. eta vs tors. theta energy: -1.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -24.488230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.488230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.488230 (E_RNA)
where:
Base-Base interactions energy: -8.160
where: short stacking energy: -8.160
Base-Backbone interact. energy: -0.000
local terms energy: -16.328087
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.305
flat angles P-C4'-P energy: -0.438
tors. eta vs tors. theta energy: -1.836
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: 1, replica: 10
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -41.424330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.424330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.424330 (E_RNA)
where:
Base-Base interactions energy: -17.849
where: short stacking energy: -17.849
Base-Backbone interact. energy: -0.000
local terms energy: -23.575288
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.609
flat angles P-C4'-P energy: -3.693
tors. eta vs tors. theta energy: -5.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -35.150830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.150830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.150830 (E_RNA)
where:
Base-Base interactions energy: -16.445
where: short stacking energy: -16.445
Base-Backbone interact. energy: -0.000
local terms energy: -18.705935
where:
bonds (distance) C4'-P energy: -2.680
bonds (distance) P-C4' energy: -3.371
flat angles C4'-P-C4' energy: -4.609
flat angles P-C4'-P energy: -2.792
tors. eta vs tors. theta energy: -5.255
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: 3
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -33.290317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.290317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.290317 (E_RNA)
where:
Base-Base interactions energy: -13.761
where: short stacking energy: -13.761
Base-Backbone interact. energy: -0.000
local terms energy: -19.529197
where:
bonds (distance) C4'-P energy: -3.645
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -4.182
flat angles P-C4'-P energy: -3.984
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: 4, replica: 2
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -32.854934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.854934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.854934 (E_RNA)
where:
Base-Base interactions energy: -12.493
where: short stacking energy: -12.493
Base-Backbone interact. energy: -0.000
local terms energy: -20.361671
where:
bonds (distance) C4'-P energy: -3.541
bonds (distance) P-C4' energy: -4.603
flat angles C4'-P-C4' energy: -4.552
flat angles P-C4'-P energy: -3.333
tors. eta vs tors. theta energy: -4.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -25.454195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.454195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.454195 (E_RNA)
where:
Base-Base interactions energy: -6.042
where: short stacking energy: -6.042
Base-Backbone interact. energy: -0.000
local terms energy: -19.411623
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.588
flat angles P-C4'-P energy: -3.031
tors. eta vs tors. theta energy: -3.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -27.081507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.081507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.081507 (E_RNA)
where:
Base-Base interactions energy: -12.661
where: short stacking energy: -10.590
Base-Backbone interact. energy: -0.001
local terms energy: -14.418781
where:
bonds (distance) C4'-P energy: -1.294
bonds (distance) P-C4' energy: -5.128
flat angles C4'-P-C4' energy: -3.009
flat angles P-C4'-P energy: -3.052
tors. eta vs tors. theta energy: -1.936
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: 336
Temperature: 1.200000
Total energy: -26.760860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.760860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.760860 (E_RNA)
where:
Base-Base interactions energy: -13.433
where: short stacking energy: -13.433
Base-Backbone interact. energy: -0.098
local terms energy: -13.229748
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.600
flat angles C4'-P-C4' energy: -3.501
flat angles P-C4'-P energy: -0.120
tors. eta vs tors. theta energy: -0.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -30.194838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.194838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.194838 (E_RNA)
where:
Base-Base interactions energy: -10.678
where: short stacking energy: -10.678
Base-Backbone interact. energy: -0.000
local terms energy: -19.516466
where:
bonds (distance) C4'-P energy: -4.419
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.786
flat angles P-C4'-P energy: -1.416
tors. eta vs tors. theta energy: -3.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -21.835299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.835299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.835299 (E_RNA)
where:
Base-Base interactions energy: -7.800
where: short stacking energy: -7.800
Base-Backbone interact. energy: -0.001
local terms energy: -14.034245
where:
bonds (distance) C4'-P energy: -4.419
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -1.357
flat angles P-C4'-P energy: -1.996
tors. eta vs tors. theta energy: -1.162
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: 4
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -25.744845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.744845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.744845 (E_RNA)
where:
Base-Base interactions energy: -9.338
where: short stacking energy: -9.338
Base-Backbone interact. energy: -0.000
local terms energy: -16.406912
where:
bonds (distance) C4'-P energy: -3.558
bonds (distance) P-C4' energy: -4.180
flat angles C4'-P-C4' energy: -3.097
flat angles P-C4'-P energy: -3.474
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: 1, replica: 10
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -39.107728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.107728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.107728 (E_RNA)
where:
Base-Base interactions energy: -17.355
where: short stacking energy: -17.355
Base-Backbone interact. energy: -0.000
local terms energy: -21.752596
where:
bonds (distance) C4'-P energy: -4.233
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.955
flat angles P-C4'-P energy: -3.404
tors. eta vs tors. theta energy: -4.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -33.115614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.115614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.115614 (E_RNA)
where:
Base-Base interactions energy: -15.400
where: short stacking energy: -15.400
Base-Backbone interact. energy: -0.000
local terms energy: -17.715692
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -3.553
flat angles C4'-P-C4' energy: -2.831
flat angles P-C4'-P energy: -3.644
tors. eta vs tors. theta energy: -3.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -31.930929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.930929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.930929 (E_RNA)
where:
Base-Base interactions energy: -11.328
where: short stacking energy: -11.328
Base-Backbone interact. energy: -0.000
local terms energy: -20.603088
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.835
flat angles P-C4'-P energy: -2.535
tors. eta vs tors. theta energy: -3.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -33.810330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.810330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.810330 (E_RNA)
where:
Base-Base interactions energy: -13.506
where: short stacking energy: -13.506
Base-Backbone interact. energy: -0.000
local terms energy: -20.304456
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.647
flat angles P-C4'-P energy: -2.612
tors. eta vs tors. theta energy: -3.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -33.820402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.820402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.820402 (E_RNA)
where:
Base-Base interactions energy: -16.530
where: short stacking energy: -16.530
Base-Backbone interact. energy: -0.000
local terms energy: -17.290820
where:
bonds (distance) C4'-P energy: -3.823
bonds (distance) P-C4' energy: -3.312
flat angles C4'-P-C4' energy: -4.040
flat angles P-C4'-P energy: -2.133
tors. eta vs tors. theta energy: -3.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -27.957821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.957821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.957821 (E_RNA)
where:
Base-Base interactions energy: -11.122
where: short stacking energy: -11.122
Base-Backbone interact. energy: -0.000
local terms energy: -16.835968
where:
bonds (distance) C4'-P energy: -3.264
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.133
flat angles P-C4'-P energy: -1.570
tors. eta vs tors. theta energy: -2.751
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: 337
Temperature: 1.200000
Total energy: -30.107753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.107753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.107753 (E_RNA)
where:
Base-Base interactions energy: -11.826
where: short stacking energy: -5.800
Base-Backbone interact. energy: -0.005
local terms energy: -18.276886
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -3.514
flat angles P-C4'-P energy: -2.283
tors. eta vs tors. theta energy: -3.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -31.598722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.598722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.598722 (E_RNA)
where:
Base-Base interactions energy: -15.105
where: short stacking energy: -15.105
Base-Backbone interact. energy: -0.000
local terms energy: -16.494103
where:
bonds (distance) C4'-P energy: -2.751
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -3.585
flat angles P-C4'-P energy: -2.139
tors. eta vs tors. theta energy: -3.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -26.881523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.881523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.881523 (E_RNA)
where:
Base-Base interactions energy: -11.871
where: short stacking energy: -11.871
Base-Backbone interact. energy: -0.000
local terms energy: -15.010598
where:
bonds (distance) C4'-P energy: -2.146
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -2.266
flat angles P-C4'-P energy: -3.232
tors. eta vs tors. theta energy: -2.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -24.529298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.529298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.529298 (E_RNA)
where:
Base-Base interactions energy: -6.152
where: short stacking energy: -6.152
Base-Backbone interact. energy: -0.000
local terms energy: -18.376987
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -4.320
flat angles P-C4'-P energy: -3.135
tors. eta vs tors. theta energy: -2.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -35.069787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.069787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.069787 (E_RNA)
where:
Base-Base interactions energy: -12.972
where: short stacking energy: -12.972
Base-Backbone interact. energy: -0.000
local terms energy: -22.097386
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -4.118
flat angles P-C4'-P energy: -3.701
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: 2, replica: 6
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -33.793354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.793354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.793354 (E_RNA)
where:
Base-Base interactions energy: -17.399
where: short stacking energy: -8.453
Base-Backbone interact. energy: -0.004
local terms energy: -16.390081
where:
bonds (distance) C4'-P energy: -2.680
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -4.352
flat angles P-C4'-P energy: -4.033
tors. eta vs tors. theta energy: -0.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -31.288298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.288298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.288298 (E_RNA)
where:
Base-Base interactions energy: -13.499
where: short stacking energy: -13.499
Base-Backbone interact. energy: -0.000
local terms energy: -17.789487
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.629
flat angles P-C4'-P energy: -1.953
tors. eta vs tors. theta energy: -2.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -28.423873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.423873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.423873 (E_RNA)
where:
Base-Base interactions energy: -11.569
where: short stacking energy: -11.569
Base-Backbone interact. energy: -0.000
local terms energy: -16.854867
where:
bonds (distance) C4'-P energy: -3.194
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -4.209
flat angles P-C4'-P energy: -2.789
tors. eta vs tors. theta energy: -1.317
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: 9
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -26.108558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.108558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.108558 (E_RNA)
where:
Base-Base interactions energy: -10.024
where: short stacking energy: -10.024
Base-Backbone interact. energy: -0.000
local terms energy: -16.084276
where:
bonds (distance) C4'-P energy: -3.161
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -2.232
flat angles P-C4'-P energy: -3.063
tors. eta vs tors. theta energy: -2.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -30.792506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.792506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.792506 (E_RNA)
where:
Base-Base interactions energy: -11.928
where: short stacking energy: -11.928
Base-Backbone interact. energy: -0.000
local terms energy: -18.864036
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -3.723
flat angles C4'-P-C4' energy: -4.118
flat angles P-C4'-P energy: -3.711
tors. eta vs tors. theta energy: -2.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -31.827445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.827445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.827445 (E_RNA)
where:
Base-Base interactions energy: -12.914
where: short stacking energy: -12.914
Base-Backbone interact. energy: -0.000
local terms energy: -18.913047
where:
bonds (distance) C4'-P energy: -3.773
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.856
flat angles P-C4'-P energy: -2.531
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: 8, replica: 5
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -27.790505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.790505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.790505 (E_RNA)
where:
Base-Base interactions energy: -11.875
where: short stacking energy: -11.875
Base-Backbone interact. energy: -0.002
local terms energy: -15.913373
where:
bonds (distance) C4'-P energy: -3.781
bonds (distance) P-C4' energy: -3.103
flat angles C4'-P-C4' energy: -3.382
flat angles P-C4'-P energy: -3.702
tors. eta vs tors. theta energy: -1.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -25.374313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.374313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.374313 (E_RNA)
where:
Base-Base interactions energy: -6.925
where: short stacking energy: -6.925
Base-Backbone interact. energy: -0.000
local terms energy: -18.448882
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.417
flat angles C4'-P-C4' energy: -3.894
flat angles P-C4'-P energy: -3.338
tors. eta vs tors. theta energy: -2.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -27.880399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.880399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.880399 (E_RNA)
where:
Base-Base interactions energy: -13.764
where: short stacking energy: -13.764
Base-Backbone interact. energy: -0.001
local terms energy: -14.115596
where:
bonds (distance) C4'-P energy: -3.344
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -4.240
flat angles P-C4'-P energy: -1.556
tors. eta vs tors. theta energy: -0.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -33.805510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.805510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.805510 (E_RNA)
where:
Base-Base interactions energy: -17.075
where: short stacking energy: -7.846
Base-Backbone interact. energy: -0.093
local terms energy: -16.637604
where:
bonds (distance) C4'-P energy: -2.345
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.416
flat angles P-C4'-P energy: -2.911
tors. eta vs tors. theta energy: -1.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -35.333792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.333792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.333792 (E_RNA)
where:
Base-Base interactions energy: -15.379
where: short stacking energy: -15.379
Base-Backbone interact. energy: -0.000
local terms energy: -19.954416
where:
bonds (distance) C4'-P energy: -3.699
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -4.252
flat angles P-C4'-P energy: -3.286
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: 3, replica: 6
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -34.449245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.449245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.449245 (E_RNA)
where:
Base-Base interactions energy: -15.797
where: short stacking energy: -15.797
Base-Backbone interact. energy: -0.000
local terms energy: -18.651946
where:
bonds (distance) C4'-P energy: -3.682
bonds (distance) P-C4' energy: -3.892
flat angles C4'-P-C4' energy: -3.739
flat angles P-C4'-P energy: -3.765
tors. eta vs tors. theta energy: -3.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -31.880701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.880701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.880701 (E_RNA)
where:
Base-Base interactions energy: -12.974
where: short stacking energy: -12.974
Base-Backbone interact. energy: -0.000
local terms energy: -18.906781
where:
bonds (distance) C4'-P energy: -2.556
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -4.221
flat angles P-C4'-P energy: -3.349
tors. eta vs tors. theta energy: -3.916
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: 3
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -34.317207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.317207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.317207 (E_RNA)
where:
Base-Base interactions energy: -15.794
where: short stacking energy: -15.794
Base-Backbone interact. energy: -0.000
local terms energy: -18.523302
where:
bonds (distance) C4'-P energy: -2.325
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -4.097
flat angles P-C4'-P energy: -3.440
tors. eta vs tors. theta energy: -3.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -29.106220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.106220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.106220 (E_RNA)
where:
Base-Base interactions energy: -11.671
where: short stacking energy: -11.671
Base-Backbone interact. energy: -0.000
local terms energy: -17.435091
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -3.237
flat angles P-C4'-P energy: -0.873
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: 7, replica: 2
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -32.932748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.932748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.932748 (E_RNA)
where:
Base-Base interactions energy: -13.889
where: short stacking energy: -13.889
Base-Backbone interact. energy: -0.000
local terms energy: -19.044070
where:
bonds (distance) C4'-P energy: -4.303
bonds (distance) P-C4' energy: -3.984
flat angles C4'-P-C4' energy: -4.664
flat angles P-C4'-P energy: -3.274
tors. eta vs tors. theta energy: -2.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -26.273826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.273826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.273826 (E_RNA)
where:
Base-Base interactions energy: -8.309
where: short stacking energy: -8.309
Base-Backbone interact. energy: -1.181
local terms energy: -16.783727
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -3.984
flat angles C4'-P-C4' energy: -3.987
flat angles P-C4'-P energy: -2.071
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: 5
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -28.935602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.935602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.935602 (E_RNA)
where:
Base-Base interactions energy: -11.649
where: short stacking energy: -11.649
Base-Backbone interact. energy: -0.000
local terms energy: -17.286243
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.603
flat angles C4'-P-C4' energy: -3.516
flat angles P-C4'-P energy: -3.218
tors. eta vs tors. theta energy: -1.849
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: 10, replica: 7
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -30.556503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.556503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.556503 (E_RNA)
where:
Base-Base interactions energy: -12.122
where: short stacking energy: -12.122
Base-Backbone interact. energy: -0.000
local terms energy: -18.434735
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -2.627
flat angles P-C4'-P energy: -2.172
tors. eta vs tors. theta energy: -4.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -32.783394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.783394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.783394 (E_RNA)
where:
Base-Base interactions energy: -13.858
where: short stacking energy: -13.858
Base-Backbone interact. energy: -0.000
local terms energy: -18.925553
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.476
flat angles P-C4'-P energy: -2.589
tors. eta vs tors. theta energy: -2.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -39.713263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.713263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.713263 (E_RNA)
where:
Base-Base interactions energy: -20.742
where: short stacking energy: -13.141
Base-Backbone interact. energy: -0.002
local terms energy: -18.969492
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.653
flat angles C4'-P-C4' energy: -3.734
flat angles P-C4'-P energy: -3.939
tors. eta vs tors. theta energy: -2.233
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: 3, replica: 9
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -32.376824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.376824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.376824 (E_RNA)
where:
Base-Base interactions energy: -15.353
where: short stacking energy: -8.212
Base-Backbone interact. energy: -0.050
local terms energy: -16.973632
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -3.553
flat angles C4'-P-C4' energy: -3.763
flat angles P-C4'-P energy: -2.356
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: 4, replica: 6
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -33.778036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.778036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.778036 (E_RNA)
where:
Base-Base interactions energy: -15.833
where: short stacking energy: -15.833
Base-Backbone interact. energy: -0.000
local terms energy: -17.944821
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.177
flat angles C4'-P-C4' energy: -3.900
flat angles P-C4'-P energy: -2.523
tors. eta vs tors. theta energy: -3.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -26.766292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.766292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.766292 (E_RNA)
where:
Base-Base interactions energy: -9.010
where: short stacking energy: -9.010
Base-Backbone interact. energy: -0.009
local terms energy: -17.747012
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -2.938
flat angles P-C4'-P energy: -1.848
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: 6, replica: 8
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -29.050342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.050342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.050342 (E_RNA)
where:
Base-Base interactions energy: -11.059
where: short stacking energy: -11.059
Base-Backbone interact. energy: 0.063
local terms energy: -18.054653
where:
bonds (distance) C4'-P energy: -4.303
bonds (distance) P-C4' energy: -4.406
flat angles C4'-P-C4' energy: -4.370
flat angles P-C4'-P energy: -3.459
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: 7, replica: 4
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -28.998087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.998087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.998087 (E_RNA)
where:
Base-Base interactions energy: -8.309
where: short stacking energy: -8.309
Base-Backbone interact. energy: -0.000
local terms energy: -20.688966
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.000
flat angles P-C4'-P energy: -3.580
tors. eta vs tors. theta energy: -4.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -23.031791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.031791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.031791 (E_RNA)
where:
Base-Base interactions energy: -6.955
where: short stacking energy: -6.955
Base-Backbone interact. energy: -0.002
local terms energy: -16.074296
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -3.631
flat angles C4'-P-C4' energy: -4.572
flat angles P-C4'-P energy: -3.151
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: 9, replica: 7
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -20.549576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.549576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.549576 (E_RNA)
where:
Base-Base interactions energy: -4.095
where: short stacking energy: -4.095
Base-Backbone interact. energy: -0.109
local terms energy: -16.346139
where:
bonds (distance) C4'-P energy: -3.637
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -4.445
flat angles P-C4'-P energy: -3.873
tors. eta vs tors. theta energy: 0.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -34.482438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.482438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.482438 (E_RNA)
where:
Base-Base interactions energy: -15.603
where: short stacking energy: -15.603
Base-Backbone interact. energy: -0.000
local terms energy: -18.879837
where:
bonds (distance) C4'-P energy: -3.637
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -3.312
flat angles P-C4'-P energy: -3.325
tors. eta vs tors. theta energy: -3.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -33.452305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.452305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.452305 (E_RNA)
where:
Base-Base interactions energy: -13.924
where: short stacking energy: -13.924
Base-Backbone interact. energy: -0.000
local terms energy: -19.528610
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.773
flat angles P-C4'-P energy: -3.087
tors. eta vs tors. theta energy: -3.020
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: 9
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -37.331789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.331789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.331789 (E_RNA)
where:
Base-Base interactions energy: -16.408
where: short stacking energy: -16.408
Base-Backbone interact. energy: -0.000
local terms energy: -20.923836
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -3.748
flat angles C4'-P-C4' energy: -4.269
flat angles P-C4'-P energy: -3.173
tors. eta vs tors. theta energy: -5.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -25.714379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.714379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.714379 (E_RNA)
where:
Base-Base interactions energy: -8.532
where: short stacking energy: -8.532
Base-Backbone interact. energy: -0.011
local terms energy: -17.171225
where:
bonds (distance) C4'-P energy: -3.309
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.900
flat angles P-C4'-P energy: -3.522
tors. eta vs tors. theta energy: -1.088
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: 3
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -34.553729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.553729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.553729 (E_RNA)
where:
Base-Base interactions energy: -15.500
where: short stacking energy: -15.500
Base-Backbone interact. energy: -0.000
local terms energy: -19.053972
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -3.128
flat angles C4'-P-C4' energy: -3.637
flat angles P-C4'-P energy: -2.894
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: 5, replica: 6
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -28.463577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.463577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.463577 (E_RNA)
where:
Base-Base interactions energy: -12.356
where: short stacking energy: -12.356
Base-Backbone interact. energy: -0.004
local terms energy: -16.103629
where:
bonds (distance) C4'-P energy: -1.968
bonds (distance) P-C4' energy: -4.410
flat angles C4'-P-C4' energy: -4.466
flat angles P-C4'-P energy: -2.224
tors. eta vs tors. theta energy: -3.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -28.645706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.645706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.645706 (E_RNA)
where:
Base-Base interactions energy: -11.437
where: short stacking energy: -11.437
Base-Backbone interact. energy: -0.000
local terms energy: -17.208938
where:
bonds (distance) C4'-P energy: -3.372
bonds (distance) P-C4' energy: -3.941
flat angles C4'-P-C4' energy: -3.956
flat angles P-C4'-P energy: -2.186
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: 7, replica: 8
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -27.104447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.104447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.104447 (E_RNA)
where:
Base-Base interactions energy: -9.314
where: short stacking energy: -9.314
Base-Backbone interact. energy: -0.000
local terms energy: -17.790744
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -4.839
flat angles C4'-P-C4' energy: -4.135
flat angles P-C4'-P energy: -4.091
tors. eta vs tors. theta energy: -0.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -30.044504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.044504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.044504 (E_RNA)
where:
Base-Base interactions energy: -10.883
where: short stacking energy: -10.883
Base-Backbone interact. energy: -0.000
local terms energy: -19.161631
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -3.554
flat angles P-C4'-P energy: -3.149
tors. eta vs tors. theta energy: -3.269
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: 9, replica: 2
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -31.048582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.048582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.048582 (E_RNA)
where:
Base-Base interactions energy: -12.870
where: short stacking energy: -12.870
Base-Backbone interact. energy: -0.000
local terms energy: -18.178807
where:
bonds (distance) C4'-P energy: -2.928
bonds (distance) P-C4' energy: -3.110
flat angles C4'-P-C4' energy: -4.207
flat angles P-C4'-P energy: -2.824
tors. eta vs tors. theta energy: -5.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -23.798803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.798803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.798803 (E_RNA)
where:
Base-Base interactions energy: -8.513
where: short stacking energy: -8.513
Base-Backbone interact. energy: -0.002
local terms energy: -15.284301
where:
bonds (distance) C4'-P energy: -3.637
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.294
flat angles P-C4'-P energy: -2.826
tors. eta vs tors. theta energy: 0.334
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: 1, replica: 9
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -31.635194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.635194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.635194 (E_RNA)
where:
Base-Base interactions energy: -12.767
where: short stacking energy: -12.767
Base-Backbone interact. energy: -0.000
local terms energy: -18.868429
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -3.751
flat angles C4'-P-C4' energy: -4.557
flat angles P-C4'-P energy: -2.802
tors. eta vs tors. theta energy: -3.464
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: 1
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -35.584690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.584690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.584690 (E_RNA)
where:
Base-Base interactions energy: -17.707
where: short stacking energy: -17.707
Base-Backbone interact. energy: -0.000
local terms energy: -17.877387
where:
bonds (distance) C4'-P energy: -3.567
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -4.235
flat angles P-C4'-P energy: -2.144
tors. eta vs tors. theta energy: -3.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -34.403001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.403001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.403001 (E_RNA)
where:
Base-Base interactions energy: -16.089
where: short stacking energy: -16.089
Base-Backbone interact. energy: -0.000
local terms energy: -18.314053
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -4.653
flat angles C4'-P-C4' energy: -4.577
flat angles P-C4'-P energy: -0.779
tors. eta vs tors. theta energy: -4.321
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: 342
Temperature: 1.050000
Total energy: -32.740131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.740131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.740131 (E_RNA)
where:
Base-Base interactions energy: -11.025
where: short stacking energy: -11.025
Base-Backbone interact. energy: -0.000
local terms energy: -21.715147
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.192
flat angles P-C4'-P energy: -3.384
tors. eta vs tors. theta energy: -4.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -33.637690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.637690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.637690 (E_RNA)
where:
Base-Base interactions energy: -16.044
where: short stacking energy: -16.044
Base-Backbone interact. energy: -0.000
local terms energy: -17.594186
where:
bonds (distance) C4'-P energy: -3.372
bonds (distance) P-C4' energy: -3.364
flat angles C4'-P-C4' energy: -4.169
flat angles P-C4'-P energy: -3.344
tors. eta vs tors. theta energy: -3.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -32.817279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.817279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.817279 (E_RNA)
where:
Base-Base interactions energy: -13.417
where: short stacking energy: -13.417
Base-Backbone interact. energy: -0.000
local terms energy: -19.400336
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -3.651
flat angles P-C4'-P energy: -3.248
tors. eta vs tors. theta energy: -4.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -26.618708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.618708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.618708 (E_RNA)
where:
Base-Base interactions energy: -8.494
where: short stacking energy: -8.494
Base-Backbone interact. energy: -0.000
local terms energy: -18.124846
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.413
flat angles C4'-P-C4' energy: -3.273
flat angles P-C4'-P energy: -2.935
tors. eta vs tors. theta energy: -3.110
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: 8
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -25.517678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.517678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.517678 (E_RNA)
where:
Base-Base interactions energy: -9.129
where: short stacking energy: -9.129
Base-Backbone interact. energy: -0.000
local terms energy: -16.388893
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -0.505
flat angles P-C4'-P energy: -3.269
tors. eta vs tors. theta energy: -3.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -27.088142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.088142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.088142 (E_RNA)
where:
Base-Base interactions energy: -11.464
where: short stacking energy: -11.464
Base-Backbone interact. energy: -0.013
local terms energy: -15.612037
where:
bonds (distance) C4'-P energy: -4.038
bonds (distance) P-C4' energy: -3.360
flat angles C4'-P-C4' energy: -1.900
flat angles P-C4'-P energy: -3.021
tors. eta vs tors. theta energy: -3.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -24.339419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.339419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.339419 (E_RNA)
where:
Base-Base interactions energy: -7.257
where: short stacking energy: -7.257
Base-Backbone interact. energy: -0.000
local terms energy: -17.082417
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.206
flat angles P-C4'-P energy: -3.408
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: 9
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -36.206552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.206552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.206552 (E_RNA)
where:
Base-Base interactions energy: -16.507
where: short stacking energy: -16.507
Base-Backbone interact. energy: -0.000
local terms energy: -19.699641
where:
bonds (distance) C4'-P energy: -3.078
bonds (distance) P-C4' energy: -4.417
flat angles C4'-P-C4' energy: -4.398
flat angles P-C4'-P energy: -3.204
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: 2, replica: 3
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -38.225584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.225584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.225584 (E_RNA)
where:
Base-Base interactions energy: -16.599
where: short stacking energy: -16.599
Base-Backbone interact. energy: -0.000
local terms energy: -21.627018
where:
bonds (distance) C4'-P energy: -3.947
bonds (distance) P-C4' energy: -4.572
flat angles C4'-P-C4' energy: -4.360
flat angles P-C4'-P energy: -3.148
tors. eta vs tors. theta energy: -5.599
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: 1
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -32.745524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.745524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.745524 (E_RNA)
where:
Base-Base interactions energy: -13.204
where: short stacking energy: -13.204
Base-Backbone interact. energy: -0.000
local terms energy: -19.541665
where:
bonds (distance) C4'-P energy: -3.781
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.485
flat angles P-C4'-P energy: -1.818
tors. eta vs tors. theta energy: -4.103
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: 4, replica: 4
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -31.908806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.908806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.908806 (E_RNA)
where:
Base-Base interactions energy: -13.098
where: short stacking energy: -13.098
Base-Backbone interact. energy: -0.000
local terms energy: -18.810820
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -3.696
flat angles P-C4'-P energy: -2.385
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: 5, replica: 10
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -28.888813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.888813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.888813 (E_RNA)
where:
Base-Base interactions energy: -11.125
where: short stacking energy: -11.125
Base-Backbone interact. energy: -0.000
local terms energy: -17.764068
where:
bonds (distance) C4'-P energy: -2.271
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -4.767
flat angles P-C4'-P energy: -2.703
tors. eta vs tors. theta energy: -3.824
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: 6, replica: 7
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -27.767416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.767416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.767416 (E_RNA)
where:
Base-Base interactions energy: -11.832
where: short stacking energy: -11.832
Base-Backbone interact. energy: -0.007
local terms energy: -15.928654
where:
bonds (distance) C4'-P energy: -1.198
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.784
flat angles P-C4'-P energy: -2.133
tors. eta vs tors. theta energy: -2.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -31.196826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.196826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.196826 (E_RNA)
where:
Base-Base interactions energy: -12.774
where: short stacking energy: -12.774
Base-Backbone interact. energy: -0.000
local terms energy: -18.422705
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -4.013
flat angles P-C4'-P energy: -3.318
tors. eta vs tors. theta energy: -2.330
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: 343
Temperature: 1.250000
Total energy: -24.852010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.852010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.852010 (E_RNA)
where:
Base-Base interactions energy: -6.422
where: short stacking energy: -4.256
Base-Backbone interact. energy: -0.000
local terms energy: -18.430252
where:
bonds (distance) C4'-P energy: -4.154
bonds (distance) P-C4' energy: -3.811
flat angles C4'-P-C4' energy: -3.518
flat angles P-C4'-P energy: -3.452
tors. eta vs tors. theta energy: -3.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -30.468472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.468472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.468472 (E_RNA)
where:
Base-Base interactions energy: -14.026
where: short stacking energy: -14.026
Base-Backbone interact. energy: -0.000
local terms energy: -16.442365
where:
bonds (distance) C4'-P energy: -1.252
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -3.006
flat angles P-C4'-P energy: -3.525
tors. eta vs tors. theta energy: -3.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -25.575424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.575424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.575424 (E_RNA)
where:
Base-Base interactions energy: -8.661
where: short stacking energy: -8.482
Base-Backbone interact. energy: -0.100
local terms energy: -16.814206
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.425
flat angles P-C4'-P energy: -2.313
tors. eta vs tors. theta energy: -1.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -32.595918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.595918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.595918 (E_RNA)
where:
Base-Base interactions energy: -13.510
where: short stacking energy: -13.510
Base-Backbone interact. energy: -0.000
local terms energy: -19.086054
where:
bonds (distance) C4'-P energy: -3.169
bonds (distance) P-C4' energy: -4.649
flat angles C4'-P-C4' energy: -4.483
flat angles P-C4'-P energy: -3.310
tors. eta vs tors. theta energy: -3.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -34.546062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.546062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.546062 (E_RNA)
where:
Base-Base interactions energy: -13.424
where: short stacking energy: -13.424
Base-Backbone interact. energy: -0.000
local terms energy: -21.122042
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -3.944
flat angles P-C4'-P energy: -2.687
tors. eta vs tors. theta energy: -5.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -32.942150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.942150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.942150 (E_RNA)
where:
Base-Base interactions energy: -12.203
where: short stacking energy: -12.203
Base-Backbone interact. energy: -0.002
local terms energy: -20.737019
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -4.628
flat angles C4'-P-C4' energy: -4.571
flat angles P-C4'-P energy: -3.843
tors. eta vs tors. theta energy: -3.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -32.382450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.382450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.382450 (E_RNA)
where:
Base-Base interactions energy: -14.411
where: short stacking energy: -14.411
Base-Backbone interact. energy: -0.000
local terms energy: -17.971577
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -1.035
flat angles P-C4'-P energy: -3.254
tors. eta vs tors. theta energy: -3.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -29.939975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.939975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.939975 (E_RNA)
where:
Base-Base interactions energy: -12.247
where: short stacking energy: -12.247
Base-Backbone interact. energy: -0.000
local terms energy: -17.692771
where:
bonds (distance) C4'-P energy: -3.061
bonds (distance) P-C4' energy: -4.314
flat angles C4'-P-C4' energy: -4.746
flat angles P-C4'-P energy: -1.754
tors. eta vs tors. theta energy: -3.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -29.520737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.520737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.520737 (E_RNA)
where:
Base-Base interactions energy: -14.742
where: short stacking energy: -7.533
Base-Backbone interact. energy: -0.000
local terms energy: -14.778110
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -3.586
flat angles P-C4'-P energy: -1.110
tors. eta vs tors. theta energy: -1.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -28.227176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.227176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.227176 (E_RNA)
where:
Base-Base interactions energy: -9.519
where: short stacking energy: -9.519
Base-Backbone interact. energy: -0.000
local terms energy: -18.708359
where:
bonds (distance) C4'-P energy: -2.913
bonds (distance) P-C4' energy: -3.582
flat angles C4'-P-C4' energy: -4.943
flat angles P-C4'-P energy: -3.467
tors. eta vs tors. theta energy: -3.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -29.498475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.498475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.498475 (E_RNA)
where:
Base-Base interactions energy: -13.731
where: short stacking energy: -13.731
Base-Backbone interact. energy: -0.000
local terms energy: -15.767149
where:
bonds (distance) C4'-P energy: -2.076
bonds (distance) P-C4' energy: -4.202
flat angles C4'-P-C4' energy: -3.108
flat angles P-C4'-P energy: -3.200
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: 9, replica: 2
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -26.435138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.435138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.435138 (E_RNA)
where:
Base-Base interactions energy: -9.894
where: short stacking energy: -9.894
Base-Backbone interact. energy: -0.000
local terms energy: -16.541189
where:
bonds (distance) C4'-P energy: -3.745
bonds (distance) P-C4' energy: -4.410
flat angles C4'-P-C4' energy: -3.285
flat angles P-C4'-P energy: -0.344
tors. eta vs tors. theta energy: -4.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -24.448404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.448404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.448404 (E_RNA)
where:
Base-Base interactions energy: -8.610
where: short stacking energy: -8.610
Base-Backbone interact. energy: -0.001
local terms energy: -15.837188
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -3.553
flat angles C4'-P-C4' energy: -3.059
flat angles P-C4'-P energy: -3.796
tors. eta vs tors. theta energy: -1.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -34.036635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.036635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.036635 (E_RNA)
where:
Base-Base interactions energy: -17.652
where: short stacking energy: -8.682
Base-Backbone interact. energy: 0.088
local terms energy: -16.472363
where:
bonds (distance) C4'-P energy: -3.185
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -4.276
flat angles P-C4'-P energy: -3.340
tors. eta vs tors. theta energy: -0.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -35.013021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.013021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.013021 (E_RNA)
where:
Base-Base interactions energy: -17.926
where: short stacking energy: -11.097
Base-Backbone interact. energy: -0.001
local terms energy: -17.086440
where:
bonds (distance) C4'-P energy: -2.812
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.796
flat angles P-C4'-P energy: -3.268
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: 3, replica: 1
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -28.675958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.675958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.675958 (E_RNA)
where:
Base-Base interactions energy: -12.816
where: short stacking energy: -12.816
Base-Backbone interact. energy: -0.000
local terms energy: -15.859626
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.149
flat angles C4'-P-C4' energy: -2.911
flat angles P-C4'-P energy: -3.006
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: 4, replica: 7
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -30.744641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.744641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.744641 (E_RNA)
where:
Base-Base interactions energy: -15.880
where: short stacking energy: -9.075
Base-Backbone interact. energy: -0.009
local terms energy: -14.855161
where:
bonds (distance) C4'-P energy: -4.303
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -2.742
flat angles P-C4'-P energy: -0.753
tors. eta vs tors. theta energy: -1.964
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: 4
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -33.614737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.614737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.614737 (E_RNA)
where:
Base-Base interactions energy: -12.187
where: short stacking energy: -12.187
Base-Backbone interact. energy: -0.000
local terms energy: -21.427993
where:
bonds (distance) C4'-P energy: -3.823
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.613
flat angles P-C4'-P energy: -3.327
tors. eta vs tors. theta energy: -4.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -25.265496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.265496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.265496 (E_RNA)
where:
Base-Base interactions energy: -11.184
where: short stacking energy: -11.184
Base-Backbone interact. energy: -0.000
local terms energy: -14.081284
where:
bonds (distance) C4'-P energy: -2.796
bonds (distance) P-C4' energy: -3.103
flat angles C4'-P-C4' energy: -2.766
flat angles P-C4'-P energy: -2.229
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: 10
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -26.812205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.812205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.812205 (E_RNA)
where:
Base-Base interactions energy: -9.082
where: short stacking energy: -9.082
Base-Backbone interact. energy: -0.000
local terms energy: -17.730511
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -2.815
flat angles P-C4'-P energy: -2.241
tors. eta vs tors. theta energy: -3.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -20.760873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.760873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.760873 (E_RNA)
where:
Base-Base interactions energy: -3.553
where: short stacking energy: -3.553
Base-Backbone interact. energy: -0.001
local terms energy: -17.206944
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -3.360
flat angles C4'-P-C4' energy: -4.850
flat angles P-C4'-P energy: -3.055
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: 9, replica: 2
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -25.011731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.011731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.011731 (E_RNA)
where:
Base-Base interactions energy: -8.767
where: short stacking energy: -8.767
Base-Backbone interact. energy: -0.000
local terms energy: -16.244981
where:
bonds (distance) C4'-P energy: -4.634
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.155
flat angles P-C4'-P energy: -2.924
tors. eta vs tors. theta energy: 0.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -24.813849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.813849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.813849 (E_RNA)
where:
Base-Base interactions energy: -9.218
where: short stacking energy: -9.218
Base-Backbone interact. energy: -0.000
local terms energy: -15.595877
where:
bonds (distance) C4'-P energy: -3.823
bonds (distance) P-C4' energy: -2.121
flat angles C4'-P-C4' energy: -4.958
flat angles P-C4'-P energy: -2.434
tors. eta vs tors. theta energy: -2.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -36.947763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.947763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.947763 (E_RNA)
where:
Base-Base interactions energy: -16.898
where: short stacking energy: -16.898
Base-Backbone interact. energy: -0.000
local terms energy: -20.049403
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -4.411
flat angles P-C4'-P energy: -3.369
tors. eta vs tors. theta energy: -3.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -37.292842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.292842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.292842 (E_RNA)
where:
Base-Base interactions energy: -20.457
where: short stacking energy: -13.114
Base-Backbone interact. energy: -0.002
local terms energy: -16.833949
where:
bonds (distance) C4'-P energy: -3.781
bonds (distance) P-C4' energy: -4.624
flat angles C4'-P-C4' energy: -4.717
flat angles P-C4'-P energy: -2.971
tors. eta vs tors. theta energy: -0.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -37.046702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.046702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.046702 (E_RNA)
where:
Base-Base interactions energy: -15.179
where: short stacking energy: -15.179
Base-Backbone interact. energy: -0.000
local terms energy: -21.867627
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -4.379
flat angles P-C4'-P energy: -2.957
tors. eta vs tors. theta energy: -4.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -34.254633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.254633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.254633 (E_RNA)
where:
Base-Base interactions energy: -14.829
where: short stacking energy: -14.829
Base-Backbone interact. energy: -0.000
local terms energy: -19.425593
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -4.084
flat angles P-C4'-P energy: -1.713
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: 5, replica: 5
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -30.136399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.136399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.136399 (E_RNA)
where:
Base-Base interactions energy: -12.443
where: short stacking energy: -12.443
Base-Backbone interact. energy: -0.000
local terms energy: -17.692928
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.291
flat angles P-C4'-P energy: -1.592
tors. eta vs tors. theta energy: -2.207
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: 4
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -26.450137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.450137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.450137 (E_RNA)
where:
Base-Base interactions energy: -9.321
where: short stacking energy: -9.321
Base-Backbone interact. energy: -0.012
local terms energy: -17.117108
where:
bonds (distance) C4'-P energy: -3.152
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.664
flat angles P-C4'-P energy: -2.753
tors. eta vs tors. theta energy: -1.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -26.154067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.154067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.154067 (E_RNA)
where:
Base-Base interactions energy: -11.207
where: short stacking energy: -11.207
Base-Backbone interact. energy: -0.000
local terms energy: -14.946754
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -3.786
flat angles C4'-P-C4' energy: -2.061
flat angles P-C4'-P energy: -2.528
tors. eta vs tors. theta energy: -2.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -28.329759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.329759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.329759 (E_RNA)
where:
Base-Base interactions energy: -11.948
where: short stacking energy: -11.948
Base-Backbone interact. energy: -0.000
local terms energy: -16.381536
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -3.106
flat angles C4'-P-C4' energy: -4.063
flat angles P-C4'-P energy: -2.773
tors. eta vs tors. theta energy: -2.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -30.720870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.720870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.720870 (E_RNA)
where:
Base-Base interactions energy: -12.854
where: short stacking energy: -12.854
Base-Backbone interact. energy: -0.000
local terms energy: -17.866594
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.463
flat angles P-C4'-P energy: -2.712
tors. eta vs tors. theta energy: -2.240
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: 2
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -24.417978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.417978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.417978 (E_RNA)
where:
Base-Base interactions energy: -6.952
where: short stacking energy: -6.952
Base-Backbone interact. energy: -0.055
local terms energy: -17.411205
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.304
flat angles P-C4'-P energy: -3.501
tors. eta vs tors. theta energy: -0.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -36.939388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.939388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.939388 (E_RNA)
where:
Base-Base interactions energy: -15.352
where: short stacking energy: -15.352
Base-Backbone interact. energy: -0.000
local terms energy: -21.587654
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.968
flat angles P-C4'-P energy: -3.729
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: 2, replica: 7
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -38.133180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.133180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.133180 (E_RNA)
where:
Base-Base interactions energy: -17.948
where: short stacking energy: -17.948
Base-Backbone interact. energy: -0.000
local terms energy: -20.184825
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -4.360
flat angles P-C4'-P energy: -2.490
tors. eta vs tors. theta energy: -4.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -28.800294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.800294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.800294 (E_RNA)
where:
Base-Base interactions energy: -12.888
where: short stacking energy: -12.888
Base-Backbone interact. energy: -0.000
local terms energy: -15.912234
where:
bonds (distance) C4'-P energy: -3.169
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.623
flat angles P-C4'-P energy: -0.785
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: 4, replica: 5
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -31.959273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.959273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.959273 (E_RNA)
where:
Base-Base interactions energy: -12.644
where: short stacking energy: -7.065
Base-Backbone interact. energy: -0.008
local terms energy: -19.307144
where:
bonds (distance) C4'-P energy: -3.629
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.133
flat angles P-C4'-P energy: -3.338
tors. eta vs tors. theta energy: -3.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -30.140445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.140445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.140445 (E_RNA)
where:
Base-Base interactions energy: -13.388
where: short stacking energy: -13.388
Base-Backbone interact. energy: -0.000
local terms energy: -16.752562
where:
bonds (distance) C4'-P energy: -1.915
bonds (distance) P-C4' energy: -4.678
flat angles C4'-P-C4' energy: -4.589
flat angles P-C4'-P energy: -2.459
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: 6, replica: 6
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -30.227491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.227491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.227491 (E_RNA)
where:
Base-Base interactions energy: -12.902
where: short stacking energy: -8.278
Base-Backbone interact. energy: -0.085
local terms energy: -17.241317
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -2.396
flat angles P-C4'-P energy: -3.369
tors. eta vs tors. theta energy: -1.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -30.057106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.057106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.057106 (E_RNA)
where:
Base-Base interactions energy: -11.570
where: short stacking energy: -11.570
Base-Backbone interact. energy: -0.000
local terms energy: -18.486938
where:
bonds (distance) C4'-P energy: -4.303
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -4.544
flat angles P-C4'-P energy: -2.676
tors. eta vs tors. theta energy: -2.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -29.895064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.895064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.895064 (E_RNA)
where:
Base-Base interactions energy: -12.050
where: short stacking energy: -12.050
Base-Backbone interact. energy: -0.000
local terms energy: -17.845115
where:
bonds (distance) C4'-P energy: -2.859
bonds (distance) P-C4' energy: -3.106
flat angles C4'-P-C4' energy: -4.487
flat angles P-C4'-P energy: -3.622
tors. eta vs tors. theta energy: -3.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -25.800192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.800192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.800192 (E_RNA)
where:
Base-Base interactions energy: -8.690
where: short stacking energy: -8.690
Base-Backbone interact. energy: -0.001
local terms energy: -17.109448
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -3.755
flat angles C4'-P-C4' energy: -2.503
flat angles P-C4'-P energy: -3.592
tors. eta vs tors. theta energy: -3.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -24.450068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.450068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.450068 (E_RNA)
where:
Base-Base interactions energy: -8.311
where: short stacking energy: -8.311
Base-Backbone interact. energy: -0.000
local terms energy: -16.138742
where:
bonds (distance) C4'-P energy: -2.980
bonds (distance) P-C4' energy: -4.044
flat angles C4'-P-C4' energy: -3.193
flat angles P-C4'-P energy: -3.770
tors. eta vs tors. theta energy: -2.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -35.255881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.255881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.255881 (E_RNA)
where:
Base-Base interactions energy: -16.370
where: short stacking energy: -16.370
Base-Backbone interact. energy: -0.000
local terms energy: -18.886046
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -3.465
flat angles C4'-P-C4' energy: -3.931
flat angles P-C4'-P energy: -3.555
tors. eta vs tors. theta energy: -3.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -37.057729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.057729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.057729 (E_RNA)
where:
Base-Base interactions energy: -16.325
where: short stacking energy: -16.325
Base-Backbone interact. energy: -0.000
local terms energy: -20.732724
where:
bonds (distance) C4'-P energy: -2.681
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.434
flat angles P-C4'-P energy: -3.290
tors. eta vs tors. theta energy: -5.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -30.185333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.185333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.185333 (E_RNA)
where:
Base-Base interactions energy: -13.663
where: short stacking energy: -13.663
Base-Backbone interact. energy: -0.000
local terms energy: -16.521816
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -3.553
flat angles P-C4'-P energy: -2.578
tors. eta vs tors. theta energy: -1.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -31.260860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.260860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.260860 (E_RNA)
where:
Base-Base interactions energy: -13.045
where: short stacking energy: -13.045
Base-Backbone interact. energy: -0.005
local terms energy: -18.210777
where:
bonds (distance) C4'-P energy: -3.309
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -4.152
flat angles P-C4'-P energy: -3.655
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: 5, replica: 6
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -31.040306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.040306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.040306 (E_RNA)
where:
Base-Base interactions energy: -12.517
where: short stacking energy: -12.517
Base-Backbone interact. energy: -0.000
local terms energy: -18.523704
where:
bonds (distance) C4'-P energy: -3.124
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.290
flat angles P-C4'-P energy: -1.970
tors. eta vs tors. theta energy: -4.705
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: 1
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -27.695572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.695572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.695572 (E_RNA)
where:
Base-Base interactions energy: -11.939
where: short stacking energy: -11.939
Base-Backbone interact. energy: 0.341
local terms energy: -16.096860
where:
bonds (distance) C4'-P energy: -3.815
bonds (distance) P-C4' energy: -4.417
flat angles C4'-P-C4' energy: -3.265
flat angles P-C4'-P energy: -2.540
tors. eta vs tors. theta energy: -2.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -26.529333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.529333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.529333 (E_RNA)
where:
Base-Base interactions energy: -10.820
where: short stacking energy: -10.820
Base-Backbone interact. energy: -0.000
local terms energy: -15.708906
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -4.224
flat angles P-C4'-P energy: -2.454
tors. eta vs tors. theta energy: -0.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -28.898857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.898857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.898857 (E_RNA)
where:
Base-Base interactions energy: -12.971
where: short stacking energy: -12.971
Base-Backbone interact. energy: -0.000
local terms energy: -15.927421
where:
bonds (distance) C4'-P energy: -2.556
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -3.428
flat angles P-C4'-P energy: -2.634
tors. eta vs tors. theta energy: -2.449
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: 2
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -23.521305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.521305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.521305 (E_RNA)
where:
Base-Base interactions energy: -8.159
where: short stacking energy: -8.159
Base-Backbone interact. energy: -0.000
local terms energy: -15.362046
where:
bonds (distance) C4'-P energy: -2.518
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.877
flat angles P-C4'-P energy: -2.553
tors. eta vs tors. theta energy: -1.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -26.880841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.880841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.880841 (E_RNA)
where:
Base-Base interactions energy: -8.714
where: short stacking energy: -8.714
Base-Backbone interact. energy: -0.000
local terms energy: -18.167034
where:
bonds (distance) C4'-P energy: -3.566
bonds (distance) P-C4' energy: -4.174
flat angles C4'-P-C4' energy: -3.359
flat angles P-C4'-P energy: -3.136
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: 7
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -36.545332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.545332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.545332 (E_RNA)
where:
Base-Base interactions energy: -15.268
where: short stacking energy: -15.268
Base-Backbone interact. energy: -0.000
local terms energy: -21.277675
where:
bonds (distance) C4'-P energy: -3.799
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.820
flat angles P-C4'-P energy: -2.401
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: 2, replica: 5
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -36.975260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.975260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.975260 (E_RNA)
where:
Base-Base interactions energy: -18.179
where: short stacking energy: -18.179
Base-Backbone interact. energy: -0.000
local terms energy: -18.796070
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -3.887
flat angles P-C4'-P energy: -3.302
tors. eta vs tors. theta energy: -3.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -34.141344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.141344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.141344 (E_RNA)
where:
Base-Base interactions energy: -13.544
where: short stacking energy: -13.544
Base-Backbone interact. energy: -0.000
local terms energy: -20.597170
where:
bonds (distance) C4'-P energy: -3.815
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -3.116
flat angles P-C4'-P energy: -3.854
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: 4, replica: 6
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -32.481731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.481731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.481731 (E_RNA)
where:
Base-Base interactions energy: -13.314
where: short stacking energy: -13.314
Base-Backbone interact. energy: -0.000
local terms energy: -19.167842
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.966
flat angles P-C4'-P energy: -1.114
tors. eta vs tors. theta energy: -4.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -28.169546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.169546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.169546 (E_RNA)
where:
Base-Base interactions energy: -11.794
where: short stacking energy: -11.794
Base-Backbone interact. energy: -0.000
local terms energy: -16.375047
where:
bonds (distance) C4'-P energy: -2.751
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -3.627
flat angles P-C4'-P energy: -3.521
tors. eta vs tors. theta energy: -2.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -28.199356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.199356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.199356 (E_RNA)
where:
Base-Base interactions energy: -12.719
where: short stacking energy: -9.001
Base-Backbone interact. energy: -0.003
local terms energy: -15.477463
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: 0.293
flat angles P-C4'-P energy: -2.625
tors. eta vs tors. theta energy: -3.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -27.225202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.225202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.225202 (E_RNA)
where:
Base-Base interactions energy: -8.446
where: short stacking energy: -8.446
Base-Backbone interact. energy: -0.000
local terms energy: -18.779034
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.867
flat angles C4'-P-C4' energy: -4.235
flat angles P-C4'-P energy: -2.569
tors. eta vs tors. theta energy: -2.820
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: 2
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -23.300293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.300293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.300293 (E_RNA)
where:
Base-Base interactions energy: -6.588
where: short stacking energy: -6.588
Base-Backbone interact. energy: -0.000
local terms energy: -16.712094
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -4.085
flat angles P-C4'-P energy: -2.002
tors. eta vs tors. theta energy: -1.392
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: 4
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -26.668421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.668421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.668421 (E_RNA)
where:
Base-Base interactions energy: -9.366
where: short stacking energy: -9.366
Base-Backbone interact. energy: -0.000
local terms energy: -17.302087
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.871
flat angles P-C4'-P energy: -2.590
tors. eta vs tors. theta energy: -0.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -30.139750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.139750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.139750 (E_RNA)
where:
Base-Base interactions energy: -15.177
where: short stacking energy: -7.023
Base-Backbone interact. energy: 0.208
local terms energy: -15.171302
where:
bonds (distance) C4'-P energy: -3.708
bonds (distance) P-C4' energy: -4.174
flat angles C4'-P-C4' energy: -4.485
flat angles P-C4'-P energy: -2.412
tors. eta vs tors. theta energy: -0.392
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: 1, replica: 5
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -33.467608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.467608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.467608 (E_RNA)
where:
Base-Base interactions energy: -13.986
where: short stacking energy: -13.986
Base-Backbone interact. energy: -0.000
local terms energy: -19.481509
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.580
flat angles P-C4'-P energy: -3.636
tors. eta vs tors. theta energy: -2.537
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: 7
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -35.334059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.334059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.334059 (E_RNA)
where:
Base-Base interactions energy: -16.701
where: short stacking energy: -16.701
Base-Backbone interact. energy: -0.000
local terms energy: -18.633088
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -2.585
flat angles P-C4'-P energy: -2.710
tors. eta vs tors. theta energy: -4.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -29.771445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.771445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.771445 (E_RNA)
where:
Base-Base interactions energy: -14.529
where: short stacking energy: -7.761
Base-Backbone interact. energy: -0.063
local terms energy: -15.179209
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -3.812
flat angles P-C4'-P energy: -3.928
tors. eta vs tors. theta energy: 1.409
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: 3
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -32.286708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.286708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.286708 (E_RNA)
where:
Base-Base interactions energy: -12.960
where: short stacking energy: -7.048
Base-Backbone interact. energy: -0.011
local terms energy: -19.315321
where:
bonds (distance) C4'-P energy: -3.699
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -4.126
flat angles P-C4'-P energy: -3.417
tors. eta vs tors. theta energy: -3.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -28.976864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.976864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.976864 (E_RNA)
where:
Base-Base interactions energy: -9.402
where: short stacking energy: -9.402
Base-Backbone interact. energy: -0.000
local terms energy: -19.574709
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -3.852
flat angles P-C4'-P energy: -3.550
tors. eta vs tors. theta energy: -3.339
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: 6, replica: 9
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -29.609923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.609923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.609923 (E_RNA)
where:
Base-Base interactions energy: -14.021
where: short stacking energy: -4.957
Base-Backbone interact. energy: -0.000
local terms energy: -15.588212
where:
bonds (distance) C4'-P energy: -3.815
bonds (distance) P-C4' energy: -4.832
flat angles C4'-P-C4' energy: -3.379
flat angles P-C4'-P energy: -3.065
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: 7, replica: 2
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -24.797865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.797865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.797865 (E_RNA)
where:
Base-Base interactions energy: -7.897
where: short stacking energy: -7.897
Base-Backbone interact. energy: -0.000
local terms energy: -16.900793
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -3.413
flat angles P-C4'-P energy: -3.392
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: 8, replica: 1
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -28.680270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.680270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.680270 (E_RNA)
where:
Base-Base interactions energy: -12.410
where: short stacking energy: -12.410
Base-Backbone interact. energy: -0.063
local terms energy: -16.207604
where:
bonds (distance) C4'-P energy: -3.148
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -3.184
flat angles P-C4'-P energy: -3.300
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: 10
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -32.021271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.021271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.021271 (E_RNA)
where:
Base-Base interactions energy: -12.328
where: short stacking energy: -12.328
Base-Backbone interact. energy: -0.000
local terms energy: -19.693397
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.436
flat angles P-C4'-P energy: -3.345
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: 4
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -22.195932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.195932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.195932 (E_RNA)
where:
Base-Base interactions energy: -6.002
where: short stacking energy: -4.003
Base-Backbone interact. energy: -0.050
local terms energy: -16.144096
where:
bonds (distance) C4'-P energy: -4.634
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -3.571
flat angles P-C4'-P energy: -1.605
tors. eta vs tors. theta energy: -0.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -32.885235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.885235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.885235 (E_RNA)
where:
Base-Base interactions energy: -16.588
where: short stacking energy: -8.901
Base-Backbone interact. energy: -0.005
local terms energy: -16.291896
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -3.813
flat angles P-C4'-P energy: -2.162
tors. eta vs tors. theta energy: -1.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -32.276020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.276020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.276020 (E_RNA)
where:
Base-Base interactions energy: -14.413
where: short stacking energy: -14.413
Base-Backbone interact. energy: -0.000
local terms energy: -17.863303
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -3.324
flat angles C4'-P-C4' energy: -4.629
flat angles P-C4'-P energy: -2.778
tors. eta vs tors. theta energy: -3.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -32.527944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.527944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.527944 (E_RNA)
where:
Base-Base interactions energy: -12.028
where: short stacking energy: -12.028
Base-Backbone interact. energy: -0.000
local terms energy: -20.499783
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -4.011
flat angles P-C4'-P energy: -3.546
tors. eta vs tors. theta energy: -3.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -34.237867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.237867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.237867 (E_RNA)
where:
Base-Base interactions energy: -16.419
where: short stacking energy: -16.419
Base-Backbone interact. energy: -0.000
local terms energy: -17.819204
where:
bonds (distance) C4'-P energy: -4.154
bonds (distance) P-C4' energy: -4.047
flat angles C4'-P-C4' energy: -3.548
flat angles P-C4'-P energy: -2.571
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: 5, replica: 3
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -26.204507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.204507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.204507 (E_RNA)
where:
Base-Base interactions energy: -7.642
where: short stacking energy: -7.642
Base-Backbone interact. energy: -0.002
local terms energy: -18.560019
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -2.769
flat angles P-C4'-P energy: -3.370
tors. eta vs tors. theta energy: -3.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -29.497985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.497985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.497985 (E_RNA)
where:
Base-Base interactions energy: -13.036
where: short stacking energy: -13.036
Base-Backbone interact. energy: -0.000
local terms energy: -16.462463
where:
bonds (distance) C4'-P energy: -3.861
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -1.686
flat angles P-C4'-P energy: -2.340
tors. eta vs tors. theta energy: -3.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -29.358914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.358914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.358914 (E_RNA)
where:
Base-Base interactions energy: -10.156
where: short stacking energy: -10.156
Base-Backbone interact. energy: -0.000
local terms energy: -19.202881
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.177
flat angles C4'-P-C4' energy: -4.595
flat angles P-C4'-P energy: -3.696
tors. eta vs tors. theta energy: -2.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -28.104632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.104632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.104632 (E_RNA)
where:
Base-Base interactions energy: -12.579
where: short stacking energy: -12.579
Base-Backbone interact. energy: -0.000
local terms energy: -15.525904
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -2.187
flat angles P-C4'-P energy: -1.859
tors. eta vs tors. theta energy: -2.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -25.453016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.453016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.453016 (E_RNA)
where:
Base-Base interactions energy: -8.297
where: short stacking energy: -8.297
Base-Backbone interact. energy: -0.023
local terms energy: -17.133060
where:
bonds (distance) C4'-P energy: -3.699
bonds (distance) P-C4' energy: -4.406
flat angles C4'-P-C4' energy: -4.060
flat angles P-C4'-P energy: -3.759
tors. eta vs tors. theta energy: -1.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -21.565979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.565979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.565979 (E_RNA)
where:
Base-Base interactions energy: -7.483
where: short stacking energy: -7.483
Base-Backbone interact. energy: -0.003
local terms energy: -14.080188
where:
bonds (distance) C4'-P energy: -3.451
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.037
flat angles P-C4'-P energy: -2.036
tors. eta vs tors. theta energy: 0.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -39.465595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.465595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.465595 (E_RNA)
where:
Base-Base interactions energy: -17.952
where: short stacking energy: -17.952
Base-Backbone interact. energy: -0.000
local terms energy: -21.513881
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.632
flat angles P-C4'-P energy: -2.324
tors. eta vs tors. theta energy: -5.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -31.497770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.497770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.497770 (E_RNA)
where:
Base-Base interactions energy: -13.573
where: short stacking energy: -13.573
Base-Backbone interact. energy: -0.017
local terms energy: -17.908178
where:
bonds (distance) C4'-P energy: -4.332
bonds (distance) P-C4' energy: -3.815
flat angles C4'-P-C4' energy: -4.595
flat angles P-C4'-P energy: -2.553
tors. eta vs tors. theta energy: -2.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -36.577471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.577471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.577471 (E_RNA)
where:
Base-Base interactions energy: -16.038
where: short stacking energy: -16.038
Base-Backbone interact. energy: -0.000
local terms energy: -20.539232
where:
bonds (distance) C4'-P energy: -3.781
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.623
flat angles P-C4'-P energy: -2.738
tors. eta vs tors. theta energy: -4.279
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: 7
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -29.107269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.107269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.107269 (E_RNA)
where:
Base-Base interactions energy: -10.706
where: short stacking energy: -10.706
Base-Backbone interact. energy: -0.000
local terms energy: -18.401295
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -4.441
flat angles C4'-P-C4' energy: -3.834
flat angles P-C4'-P energy: -2.854
tors. eta vs tors. theta energy: -3.055
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: 2
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -29.303209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.303209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.303209 (E_RNA)
where:
Base-Base interactions energy: -12.179
where: short stacking energy: -12.179
Base-Backbone interact. energy: -0.000
local terms energy: -17.124679
where:
bonds (distance) C4'-P energy: -3.699
bonds (distance) P-C4' energy: -4.057
flat angles C4'-P-C4' energy: -3.883
flat angles P-C4'-P energy: -2.343
tors. eta vs tors. theta energy: -3.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -34.336308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.336308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.336308 (E_RNA)
where:
Base-Base interactions energy: -14.958
where: short stacking energy: -14.958
Base-Backbone interact. energy: -0.000
local terms energy: -19.378153
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.118
flat angles P-C4'-P energy: -1.968
tors. eta vs tors. theta energy: -3.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -30.605580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.605580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.605580 (E_RNA)
where:
Base-Base interactions energy: -13.174
where: short stacking energy: -13.174
Base-Backbone interact. energy: -0.000
local terms energy: -17.431837
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.174
flat angles C4'-P-C4' energy: -4.459
flat angles P-C4'-P energy: -2.740
tors. eta vs tors. theta energy: -1.657
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: 8, replica: 9
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -25.310114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.310114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.310114 (E_RNA)
where:
Base-Base interactions energy: -12.040
where: short stacking energy: -12.040
Base-Backbone interact. energy: -0.000
local terms energy: -13.270411
where:
bonds (distance) C4'-P energy: -2.689
bonds (distance) P-C4' energy: -2.008
flat angles C4'-P-C4' energy: -3.464
flat angles P-C4'-P energy: -3.113
tors. eta vs tors. theta energy: -1.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -29.706025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.706025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.706025 (E_RNA)
where:
Base-Base interactions energy: -11.436
where: short stacking energy: -11.436
Base-Backbone interact. energy: -0.000
local terms energy: -18.269778
where:
bonds (distance) C4'-P energy: -3.773
bonds (distance) P-C4' energy: -4.572
flat angles C4'-P-C4' energy: -3.728
flat angles P-C4'-P energy: -3.787
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: 4
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -24.226152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.226152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.226152 (E_RNA)
where:
Base-Base interactions energy: -8.316
where: short stacking energy: -7.230
Base-Backbone interact. energy: -0.382
local terms energy: -15.528293
where:
bonds (distance) C4'-P energy: -2.975
bonds (distance) P-C4' energy: -4.413
flat angles C4'-P-C4' energy: -4.129
flat angles P-C4'-P energy: -2.921
tors. eta vs tors. theta energy: -1.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -34.731059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.731059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.731059 (E_RNA)
where:
Base-Base interactions energy: -14.709
where: short stacking energy: -14.709
Base-Backbone interact. energy: -0.000
local terms energy: -20.021565
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.134
flat angles C4'-P-C4' energy: -3.751
flat angles P-C4'-P energy: -3.021
tors. eta vs tors. theta energy: -4.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -34.069900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.069900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.069900 (E_RNA)
where:
Base-Base interactions energy: -12.499
where: short stacking energy: -12.499
Base-Backbone interact. energy: -0.000
local terms energy: -21.570528
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.649
flat angles C4'-P-C4' energy: -4.664
flat angles P-C4'-P energy: -2.979
tors. eta vs tors. theta energy: -4.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -35.801953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.801953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.801953 (E_RNA)
where:
Base-Base interactions energy: -16.881
where: short stacking energy: -8.466
Base-Backbone interact. energy: -0.007
local terms energy: -18.914188
where:
bonds (distance) C4'-P energy: -3.823
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -3.710
flat angles P-C4'-P energy: -3.027
tors. eta vs tors. theta energy: -3.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -34.193337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.193337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.193337 (E_RNA)
where:
Base-Base interactions energy: -15.852
where: short stacking energy: -15.852
Base-Backbone interact. energy: -0.000
local terms energy: -18.341120
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -3.730
flat angles C4'-P-C4' energy: -4.397
flat angles P-C4'-P energy: -2.729
tors. eta vs tors. theta energy: -3.828
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: 7
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -26.991664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.991664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.991664 (E_RNA)
where:
Base-Base interactions energy: -8.176
where: short stacking energy: -8.176
Base-Backbone interact. energy: -0.000
local terms energy: -18.815555
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -4.223
flat angles P-C4'-P energy: -2.836
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: 6, replica: 10
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -26.613381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.613381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.613381 (E_RNA)
where:
Base-Base interactions energy: -13.766
where: short stacking energy: -7.165
Base-Backbone interact. energy: -0.000
local terms energy: -12.847001
where:
bonds (distance) C4'-P energy: -3.939
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -1.841
flat angles P-C4'-P energy: -2.893
tors. eta vs tors. theta energy: 1.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -27.178486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.178486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.178486 (E_RNA)
where:
Base-Base interactions energy: -12.364
where: short stacking energy: -12.364
Base-Backbone interact. energy: -0.003
local terms energy: -14.811288
where:
bonds (distance) C4'-P energy: -3.177
bonds (distance) P-C4' energy: -3.349
flat angles C4'-P-C4' energy: -4.065
flat angles P-C4'-P energy: -2.729
tors. eta vs tors. theta energy: -1.492
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: 1
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -26.351498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.351498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.351498 (E_RNA)
where:
Base-Base interactions energy: -7.984
where: short stacking energy: -7.984
Base-Backbone interact. energy: -0.000
local terms energy: -18.367655
where:
bonds (distance) C4'-P energy: -4.634
bonds (distance) P-C4' energy: -3.551
flat angles C4'-P-C4' energy: -3.758
flat angles P-C4'-P energy: -3.151
tors. eta vs tors. theta energy: -3.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -21.391656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.391656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.391656 (E_RNA)
where:
Base-Base interactions energy: -5.385
where: short stacking energy: -5.385
Base-Backbone interact. energy: -0.010
local terms energy: -15.997310
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -3.342
flat angles P-C4'-P energy: -2.818
tors. eta vs tors. theta energy: -0.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -28.708518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.708518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.708518 (E_RNA)
where:
Base-Base interactions energy: -11.888
where: short stacking energy: -11.888
Base-Backbone interact. energy: -0.000
local terms energy: -16.820959
where:
bonds (distance) C4'-P energy: -3.773
bonds (distance) P-C4' energy: -3.332
flat angles C4'-P-C4' energy: -3.040
flat angles P-C4'-P energy: -1.670
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: 1, replica: 8
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -37.828803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.828803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.828803 (E_RNA)
where:
Base-Base interactions energy: -16.793
where: short stacking energy: -16.793
Base-Backbone interact. energy: -0.000
local terms energy: -21.036104
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.451
flat angles P-C4'-P energy: -2.662
tors. eta vs tors. theta energy: -5.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -32.521440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.521440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.521440 (E_RNA)
where:
Base-Base interactions energy: -13.412
where: short stacking energy: -13.412
Base-Backbone interact. energy: -0.000
local terms energy: -19.109102
where:
bonds (distance) C4'-P energy: -4.634
bonds (distance) P-C4' energy: -4.631
flat angles C4'-P-C4' energy: -4.378
flat angles P-C4'-P energy: -2.958
tors. eta vs tors. theta energy: -2.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -35.250834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.250834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.250834 (E_RNA)
where:
Base-Base interactions energy: -14.476
where: short stacking energy: -14.476
Base-Backbone interact. energy: -0.000
local terms energy: -20.774802
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -3.999
flat angles P-C4'-P energy: -2.568
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: 4, replica: 5
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -31.215826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.215826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.215826 (E_RNA)
where:
Base-Base interactions energy: -13.233
where: short stacking energy: -13.233
Base-Backbone interact. energy: -0.007
local terms energy: -17.975465
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -2.969
flat angles P-C4'-P energy: -3.507
tors. eta vs tors. theta energy: -1.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -28.071586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.071586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.071586 (E_RNA)
where:
Base-Base interactions energy: -11.257
where: short stacking energy: -11.257
Base-Backbone interact. energy: -0.014
local terms energy: -16.800655
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -5.361
flat angles C4'-P-C4' energy: -3.752
flat angles P-C4'-P energy: -2.169
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: 6, replica: 10
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -27.126016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.126016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.126016 (E_RNA)
where:
Base-Base interactions energy: -10.131
where: short stacking energy: -10.131
Base-Backbone interact. energy: -0.000
local terms energy: -16.994869
where:
bonds (distance) C4'-P energy: -3.637
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -3.012
flat angles P-C4'-P energy: -3.574
tors. eta vs tors. theta energy: -1.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -25.099242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.099242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.099242 (E_RNA)
where:
Base-Base interactions energy: -11.183
where: short stacking energy: -11.183
Base-Backbone interact. energy: -0.000
local terms energy: -13.916206
where:
bonds (distance) C4'-P energy: -3.781
bonds (distance) P-C4' energy: -3.068
flat angles C4'-P-C4' energy: -3.586
flat angles P-C4'-P energy: -1.353
tors. eta vs tors. theta energy: -2.128
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: 3
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -31.282692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.282692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.282692 (E_RNA)
where:
Base-Base interactions energy: -11.158
where: short stacking energy: -11.158
Base-Backbone interact. energy: -0.000
local terms energy: -20.124313
where:
bonds (distance) C4'-P energy: -4.038
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.979
flat angles P-C4'-P energy: -3.144
tors. eta vs tors. theta energy: -3.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -26.977861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.977861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.977861 (E_RNA)
where:
Base-Base interactions energy: -9.198
where: short stacking energy: -9.198
Base-Backbone interact. energy: -0.000
local terms energy: -17.779884
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -4.867
flat angles C4'-P-C4' energy: -4.396
flat angles P-C4'-P energy: -2.961
tors. eta vs tors. theta energy: -1.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -24.223990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.223990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.223990 (E_RNA)
where:
Base-Base interactions energy: -9.309
where: short stacking energy: -9.309
Base-Backbone interact. energy: -0.001
local terms energy: -14.914263
where:
bonds (distance) C4'-P energy: -3.247
bonds (distance) P-C4' energy: -4.628
flat angles C4'-P-C4' energy: -4.113
flat angles P-C4'-P energy: -2.420
tors. eta vs tors. theta energy: -0.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -38.357222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.357222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.357222 (E_RNA)
where:
Base-Base interactions energy: -20.343
where: short stacking energy: -10.977
Base-Backbone interact. energy: -0.872
local terms energy: -17.141775
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.653
flat angles C4'-P-C4' energy: -4.510
flat angles P-C4'-P energy: -2.759
tors. eta vs tors. theta energy: -0.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -33.898996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.898996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.898996 (E_RNA)
where:
Base-Base interactions energy: -13.083
where: short stacking energy: -13.083
Base-Backbone interact. energy: -0.000
local terms energy: -20.815659
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.892
flat angles C4'-P-C4' energy: -4.608
flat angles P-C4'-P energy: -3.294
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: 3, replica: 6
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -33.398883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.398883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.398883 (E_RNA)
where:
Base-Base interactions energy: -12.614
where: short stacking energy: -12.614
Base-Backbone interact. energy: -0.000
local terms energy: -20.784491
where:
bonds (distance) C4'-P energy: -3.417
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.842
flat angles P-C4'-P energy: -2.801
tors. eta vs tors. theta energy: -5.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -32.464891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.464891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.464891 (E_RNA)
where:
Base-Base interactions energy: -12.986
where: short stacking energy: -12.986
Base-Backbone interact. energy: -0.000
local terms energy: -19.479248
where:
bonds (distance) C4'-P energy: -3.815
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -4.599
flat angles P-C4'-P energy: -3.224
tors. eta vs tors. theta energy: -2.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -32.362772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.362772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.362772 (E_RNA)
where:
Base-Base interactions energy: -14.103
where: short stacking energy: -14.103
Base-Backbone interact. energy: -0.000
local terms energy: -18.259314
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.463
flat angles P-C4'-P energy: -1.809
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: 6, replica: 1
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -26.331545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.331545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.331545 (E_RNA)
where:
Base-Base interactions energy: -12.379
where: short stacking energy: -12.379
Base-Backbone interact. energy: -0.002
local terms energy: -13.949986
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -2.615
flat angles C4'-P-C4' energy: -2.676
flat angles P-C4'-P energy: -1.071
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: 7, replica: 10
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -27.423720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.423720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.423720 (E_RNA)
where:
Base-Base interactions energy: -11.872
where: short stacking energy: -11.872
Base-Backbone interact. energy: -0.000
local terms energy: -15.552188
where:
bonds (distance) C4'-P energy: -3.773
bonds (distance) P-C4' energy: -4.624
flat angles C4'-P-C4' energy: -4.349
flat angles P-C4'-P energy: -2.429
tors. eta vs tors. theta energy: -0.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -31.003603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.003603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.003603 (E_RNA)
where:
Base-Base interactions energy: -13.290
where: short stacking energy: -13.290
Base-Backbone interact. energy: -0.000
local terms energy: -17.714031
where:
bonds (distance) C4'-P energy: -4.419
bonds (distance) P-C4' energy: -3.036
flat angles C4'-P-C4' energy: -4.294
flat angles P-C4'-P energy: -3.509
tors. eta vs tors. theta energy: -2.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -27.623855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.623855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.623855 (E_RNA)
where:
Base-Base interactions energy: -13.265
where: short stacking energy: -13.265
Base-Backbone interact. energy: -0.000
local terms energy: -14.359313
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -3.515
flat angles C4'-P-C4' energy: -4.112
flat angles P-C4'-P energy: 0.320
tors. eta vs tors. theta energy: -2.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -25.279826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.279826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.279826 (E_RNA)
where:
Base-Base interactions energy: -9.306
where: short stacking energy: -9.306
Base-Backbone interact. energy: -0.015
local terms energy: -15.958457
where:
bonds (distance) C4'-P energy: -3.363
bonds (distance) P-C4' energy: -3.811
flat angles C4'-P-C4' energy: -4.167
flat angles P-C4'-P energy: -3.028
tors. eta vs tors. theta energy: -1.589
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: 2
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -33.764497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.764497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.764497 (E_RNA)
where:
Base-Base interactions energy: -13.693
where: short stacking energy: -13.693
Base-Backbone interact. energy: -0.000
local terms energy: -20.071680
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -3.987
flat angles P-C4'-P energy: -3.545
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: 2, replica: 8
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -28.255231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.255231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.255231 (E_RNA)
where:
Base-Base interactions energy: -12.946
where: short stacking energy: -12.946
Base-Backbone interact. energy: -0.000
local terms energy: -15.308847
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -4.289
flat angles P-C4'-P energy: -0.121
tors. eta vs tors. theta energy: -1.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -34.841729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.841729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.841729 (E_RNA)
where:
Base-Base interactions energy: -15.326
where: short stacking energy: -15.326
Base-Backbone interact. energy: -0.000
local terms energy: -19.515983
where:
bonds (distance) C4'-P energy: -3.372
bonds (distance) P-C4' energy: -3.811
flat angles C4'-P-C4' energy: -4.114
flat angles P-C4'-P energy: -3.063
tors. eta vs tors. theta energy: -5.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -28.206924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.206924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.206924 (E_RNA)
where:
Base-Base interactions energy: -11.483
where: short stacking energy: -11.483
Base-Backbone interact. energy: -0.000
local terms energy: -16.723887
where:
bonds (distance) C4'-P energy: -3.753
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.425
flat angles P-C4'-P energy: -1.987
tors. eta vs tors. theta energy: -2.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -34.266984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.266984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.266984 (E_RNA)
where:
Base-Base interactions energy: -13.800
where: short stacking energy: -13.800
Base-Backbone interact. energy: -0.000
local terms energy: -20.466612
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.937
flat angles P-C4'-P energy: -2.910
tors. eta vs tors. theta energy: -4.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -25.605683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.605683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.605683 (E_RNA)
where:
Base-Base interactions energy: -7.077
where: short stacking energy: -7.077
Base-Backbone interact. energy: -0.003
local terms energy: -18.526077
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -3.916
flat angles C4'-P-C4' energy: -3.629
flat angles P-C4'-P energy: -3.607
tors. eta vs tors. theta energy: -3.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -26.312639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.312639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.312639 (E_RNA)
where:
Base-Base interactions energy: -8.406
where: short stacking energy: -8.406
Base-Backbone interact. energy: -0.062
local terms energy: -17.844224
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.413
flat angles C4'-P-C4' energy: -3.467
flat angles P-C4'-P energy: -3.235
tors. eta vs tors. theta energy: -2.218
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: 10
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -31.257959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.257959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.257959 (E_RNA)
where:
Base-Base interactions energy: -12.265
where: short stacking energy: -12.465
Base-Backbone interact. energy: -0.000
local terms energy: -18.992448
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -4.421
flat angles P-C4'-P energy: -2.105
tors. eta vs tors. theta energy: -3.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -30.990057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.990057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.990057 (E_RNA)
where:
Base-Base interactions energy: -14.042
where: short stacking energy: -14.042
Base-Backbone interact. energy: -0.002
local terms energy: -16.946004
where:
bonds (distance) C4'-P energy: -3.417
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -4.555
flat angles P-C4'-P energy: -2.774
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: 4
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -25.359273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.359273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.359273 (E_RNA)
where:
Base-Base interactions energy: -10.891
where: short stacking energy: -10.891
Base-Backbone interact. energy: -0.001
local terms energy: -14.467963
where:
bonds (distance) C4'-P energy: -3.487
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -4.246
flat angles P-C4'-P energy: -0.793
tors. eta vs tors. theta energy: -1.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -38.157696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.157696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.157696 (E_RNA)
where:
Base-Base interactions energy: -17.594
where: short stacking energy: -17.594
Base-Backbone interact. energy: -0.000
local terms energy: -20.563900
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -3.941
flat angles C4'-P-C4' energy: -4.167
flat angles P-C4'-P energy: -3.263
tors. eta vs tors. theta energy: -4.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -35.335110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.335110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.335110 (E_RNA)
where:
Base-Base interactions energy: -17.247
where: short stacking energy: -17.247
Base-Backbone interact. energy: -0.000
local terms energy: -18.088509
where:
bonds (distance) C4'-P energy: -3.637
bonds (distance) P-C4' energy: -4.205
flat angles C4'-P-C4' energy: -3.343
flat angles P-C4'-P energy: -2.192
tors. eta vs tors. theta energy: -4.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -34.866390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.866390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.866390 (E_RNA)
where:
Base-Base interactions energy: -15.784
where: short stacking energy: -15.784
Base-Backbone interact. energy: -0.000
local terms energy: -19.082879
where:
bonds (distance) C4'-P energy: -2.386
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.483
flat angles P-C4'-P energy: -1.780
tors. eta vs tors. theta energy: -5.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -32.576402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.576402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.576402 (E_RNA)
where:
Base-Base interactions energy: -14.391
where: short stacking energy: -14.391
Base-Backbone interact. energy: -0.000
local terms energy: -18.185014
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -3.557
flat angles C4'-P-C4' energy: -4.428
flat angles P-C4'-P energy: -2.213
tors. eta vs tors. theta energy: -3.762
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: 7
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -33.035060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.035060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.035060 (E_RNA)
where:
Base-Base interactions energy: -12.312
where: short stacking energy: -12.312
Base-Backbone interact. energy: -0.000
local terms energy: -20.723347
where:
bonds (distance) C4'-P energy: -3.691
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.455
flat angles P-C4'-P energy: -2.921
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: 6, replica: 3
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -32.255148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.255148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.255148 (E_RNA)
where:
Base-Base interactions energy: -14.947
where: short stacking energy: -7.789
Base-Backbone interact. energy: -0.001
local terms energy: -17.307278
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.861
flat angles P-C4'-P energy: -3.533
tors. eta vs tors. theta energy: -0.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -24.451505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.451505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.451505 (E_RNA)
where:
Base-Base interactions energy: -6.837
where: short stacking energy: -6.837
Base-Backbone interact. energy: -0.000
local terms energy: -17.614166
where:
bonds (distance) C4'-P energy: -3.372
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -2.975
flat angles P-C4'-P energy: -2.717
tors. eta vs tors. theta energy: -3.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -27.196961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.196961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.196961 (E_RNA)
where:
Base-Base interactions energy: -11.916
where: short stacking energy: -11.916
Base-Backbone interact. energy: -0.008
local terms energy: -15.273068
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.628
flat angles C4'-P-C4' energy: -2.352
flat angles P-C4'-P energy: -1.489
tors. eta vs tors. theta energy: -2.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -26.169264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.169264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.169264 (E_RNA)
where:
Base-Base interactions energy: -8.501
where: short stacking energy: -8.501
Base-Backbone interact. energy: -0.000
local terms energy: -17.668306
where:
bonds (distance) C4'-P energy: -3.583
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -4.257
flat angles P-C4'-P energy: -1.657
tors. eta vs tors. theta energy: -3.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -25.926584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.926584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.926584 (E_RNA)
where:
Base-Base interactions energy: -9.062
where: short stacking energy: -9.062
Base-Backbone interact. energy: -0.000
local terms energy: -16.864988
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -3.580
flat angles P-C4'-P energy: -2.673
tors. eta vs tors. theta energy: -1.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -31.326314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.326314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.326314 (E_RNA)
where:
Base-Base interactions energy: -13.962
where: short stacking energy: -13.962
Base-Backbone interact. energy: -0.001
local terms energy: -17.363501
where:
bonds (distance) C4'-P energy: -3.053
bonds (distance) P-C4' energy: -4.202
flat angles C4'-P-C4' energy: -4.428
flat angles P-C4'-P energy: -2.603
tors. eta vs tors. theta energy: -3.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -30.194996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.194996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.194996 (E_RNA)
where:
Base-Base interactions energy: -13.418
where: short stacking energy: -13.418
Base-Backbone interact. energy: -0.000
local terms energy: -16.777192
where:
bonds (distance) C4'-P energy: -3.773
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.642
flat angles P-C4'-P energy: -1.605
tors. eta vs tors. theta energy: -3.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -34.582729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.582729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.582729 (E_RNA)
where:
Base-Base interactions energy: -15.409
where: short stacking energy: -15.409
Base-Backbone interact. energy: -0.000
local terms energy: -19.173680
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.410
flat angles C4'-P-C4' energy: -4.296
flat angles P-C4'-P energy: -1.776
tors. eta vs tors. theta energy: -4.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -34.522120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.522120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.522120 (E_RNA)
where:
Base-Base interactions energy: -16.343
where: short stacking energy: -16.343
Base-Backbone interact. energy: -0.000
local terms energy: -18.178717
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -3.811
flat angles C4'-P-C4' energy: -4.150
flat angles P-C4'-P energy: -1.329
tors. eta vs tors. theta energy: -4.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -30.263625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.263625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.263625 (E_RNA)
where:
Base-Base interactions energy: -13.745
where: short stacking energy: -13.745
Base-Backbone interact. energy: -0.000
local terms energy: -16.518766
where:
bonds (distance) C4'-P energy: -3.629
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -4.255
flat angles P-C4'-P energy: -0.054
tors. eta vs tors. theta energy: -3.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -31.210953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.210953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.210953 (E_RNA)
where:
Base-Base interactions energy: -13.743
where: short stacking energy: -13.743
Base-Backbone interact. energy: -0.001
local terms energy: -17.467452
where:
bonds (distance) C4'-P energy: -3.281
bonds (distance) P-C4' energy: -4.137
flat angles C4'-P-C4' energy: -4.520
flat angles P-C4'-P energy: -2.265
tors. eta vs tors. theta energy: -3.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -27.130753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.130753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.130753 (E_RNA)
where:
Base-Base interactions energy: -12.093
where: short stacking energy: -12.093
Base-Backbone interact. energy: -0.048
local terms energy: -14.989826
where:
bonds (distance) C4'-P energy: -3.799
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.784
flat angles P-C4'-P energy: 0.136
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: 8, replica: 5
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -25.414223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.414223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.414223 (E_RNA)
where:
Base-Base interactions energy: -7.689
where: short stacking energy: -7.689
Base-Backbone interact. energy: -0.017
local terms energy: -17.708610
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.097
flat angles P-C4'-P energy: -3.064
tors. eta vs tors. theta energy: -0.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -27.947882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.947882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.947882 (E_RNA)
where:
Base-Base interactions energy: -11.990
where: short stacking energy: -11.990
Base-Backbone interact. energy: -0.000
local terms energy: -15.957536
where:
bonds (distance) C4'-P energy: -2.316
bonds (distance) P-C4' energy: -4.103
flat angles C4'-P-C4' energy: -3.434
flat angles P-C4'-P energy: -0.974
tors. eta vs tors. theta energy: -5.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -23.980756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.980756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.980756 (E_RNA)
where:
Base-Base interactions energy: -11.754
where: short stacking energy: -11.754
Base-Backbone interact. energy: -0.001
local terms energy: -12.225407
where:
bonds (distance) C4'-P energy: -2.900
bonds (distance) P-C4' energy: -2.057
flat angles C4'-P-C4' energy: -4.712
flat angles P-C4'-P energy: -1.110
tors. eta vs tors. theta energy: -1.446
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: 359
Temperature: 0.900000
Total energy: -37.483073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.483073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.483073 (E_RNA)
where:
Base-Base interactions energy: -18.530
where: short stacking energy: -18.530
Base-Backbone interact. energy: -0.000
local terms energy: -18.953052
where:
bonds (distance) C4'-P energy: -2.374
bonds (distance) P-C4' energy: -4.624
flat angles C4'-P-C4' energy: -4.716
flat angles P-C4'-P energy: -2.405
tors. eta vs tors. theta energy: -4.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -38.378118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.378118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.378118 (E_RNA)
where:
Base-Base interactions energy: -17.169
where: short stacking energy: -17.169
Base-Backbone interact. energy: -0.000
local terms energy: -21.208881
where:
bonds (distance) C4'-P energy: -3.451
bonds (distance) P-C4' energy: -4.631
flat angles C4'-P-C4' energy: -3.779
flat angles P-C4'-P energy: -3.950
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: 3, replica: 2
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -38.663106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.663106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.663106 (E_RNA)
where:
Base-Base interactions energy: -17.112
where: short stacking energy: -17.112
Base-Backbone interact. energy: -0.000
local terms energy: -21.551462
where:
bonds (distance) C4'-P energy: -3.513
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.713
flat angles P-C4'-P energy: -3.278
tors. eta vs tors. theta energy: -4.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -32.975863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.975863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.975863 (E_RNA)
where:
Base-Base interactions energy: -13.384
where: short stacking energy: -13.384
Base-Backbone interact. energy: -0.000
local terms energy: -19.591895
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.324
flat angles P-C4'-P energy: -2.578
tors. eta vs tors. theta energy: -3.311
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: 8
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -33.234924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.234924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.234924 (E_RNA)
where:
Base-Base interactions energy: -13.920
where: short stacking energy: -13.920
Base-Backbone interact. energy: -0.000
local terms energy: -19.315158
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -2.869
flat angles P-C4'-P energy: -3.113
tors. eta vs tors. theta energy: -3.685
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: 7
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -30.654788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.654788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.654788 (E_RNA)
where:
Base-Base interactions energy: -12.492
where: short stacking energy: -12.492
Base-Backbone interact. energy: -0.000
local terms energy: -18.162766
where:
bonds (distance) C4'-P energy: -3.342
bonds (distance) P-C4' energy: -4.339
flat angles C4'-P-C4' energy: -3.999
flat angles P-C4'-P energy: -3.174
tors. eta vs tors. theta energy: -3.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -34.112817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.112817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.112817 (E_RNA)
where:
Base-Base interactions energy: -14.771
where: short stacking energy: -14.771
Base-Backbone interact. energy: -0.000
local terms energy: -19.341576
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -3.697
flat angles P-C4'-P energy: -1.710
tors. eta vs tors. theta energy: -4.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -27.632811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.632811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.632811 (E_RNA)
where:
Base-Base interactions energy: -10.929
where: short stacking energy: -10.929
Base-Backbone interact. energy: -0.000
local terms energy: -16.703672
where:
bonds (distance) C4'-P energy: -2.154
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -1.571
flat angles P-C4'-P energy: -3.308
tors. eta vs tors. theta energy: -4.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -26.786297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.786297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.786297 (E_RNA)
where:
Base-Base interactions energy: -10.475
where: short stacking energy: -4.934
Base-Backbone interact. energy: -0.110
local terms energy: -16.200793
where:
bonds (distance) C4'-P energy: -3.194
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.210
flat angles P-C4'-P energy: -2.741
tors. eta vs tors. theta energy: -1.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -23.968307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.968307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.968307 (E_RNA)
where:
Base-Base interactions energy: -11.865
where: short stacking energy: -4.819
Base-Backbone interact. energy: -0.001
local terms energy: -12.102712
where:
bonds (distance) C4'-P energy: -2.536
bonds (distance) P-C4' energy: -3.557
flat angles C4'-P-C4' energy: -4.256
flat angles P-C4'-P energy: -2.030
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: 1, replica: 1
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -35.317040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.317040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.317040 (E_RNA)
where:
Base-Base interactions energy: -16.834
where: short stacking energy: -16.834
Base-Backbone interact. energy: -0.000
local terms energy: -18.482651
where:
bonds (distance) C4'-P energy: -2.626
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.266
flat angles P-C4'-P energy: -3.854
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: 2, replica: 6
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -33.232095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.232095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.232095 (E_RNA)
where:
Base-Base interactions energy: -11.867
where: short stacking energy: -11.867
Base-Backbone interact. energy: -0.000
local terms energy: -21.365178
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.309
flat angles P-C4'-P energy: -3.995
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: 3, replica: 2
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -34.483880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.483880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.483880 (E_RNA)
where:
Base-Base interactions energy: -15.928
where: short stacking energy: -15.928
Base-Backbone interact. energy: -0.000
local terms energy: -18.556042
where:
bonds (distance) C4'-P energy: -3.363
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -3.658
flat angles P-C4'-P energy: -1.755
tors. eta vs tors. theta energy: -4.922
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: 3
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -32.444918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.444918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.444918 (E_RNA)
where:
Base-Base interactions energy: -10.684
where: short stacking energy: -10.684
Base-Backbone interact. energy: -0.000
local terms energy: -21.760617
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.111
flat angles P-C4'-P energy: -3.410
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: 5, replica: 7
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -32.060837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.060837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.060837 (E_RNA)
where:
Base-Base interactions energy: -14.459
where: short stacking energy: -14.459
Base-Backbone interact. energy: -0.000
local terms energy: -17.601958
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.631
flat angles C4'-P-C4' energy: -4.027
flat angles P-C4'-P energy: -2.287
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: 6, replica: 8
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -27.144984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.144984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.144984 (E_RNA)
where:
Base-Base interactions energy: -9.449
where: short stacking energy: -9.449
Base-Backbone interact. energy: -0.000
local terms energy: -17.695748
where:
bonds (distance) C4'-P energy: -3.008
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.438
flat angles P-C4'-P energy: -3.776
tors. eta vs tors. theta energy: -1.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -30.633117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.633117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.633117 (E_RNA)
where:
Base-Base interactions energy: -8.692
where: short stacking energy: -8.692
Base-Backbone interact. energy: -0.000
local terms energy: -21.940624
where:
bonds (distance) C4'-P energy: -4.742
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -4.047
flat angles P-C4'-P energy: -3.759
tors. eta vs tors. theta energy: -4.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -27.751077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.751077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.751077 (E_RNA)
where:
Base-Base interactions energy: -11.780
where: short stacking energy: -11.780
Base-Backbone interact. energy: -0.016
local terms energy: -15.955654
where:
bonds (distance) C4'-P energy: -3.256
bonds (distance) P-C4' energy: -3.646
flat angles C4'-P-C4' energy: -3.669
flat angles P-C4'-P energy: -2.535
tors. eta vs tors. theta energy: -2.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -25.017185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.017185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.017185 (E_RNA)
where:
Base-Base interactions energy: -8.023
where: short stacking energy: -8.023
Base-Backbone interact. energy: -0.002
local terms energy: -16.991635
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.716
flat angles P-C4'-P energy: -1.882
tors. eta vs tors. theta energy: -0.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -25.683399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.683399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.683399 (E_RNA)
where:
Base-Base interactions energy: -9.110
where: short stacking energy: -9.110
Base-Backbone interact. energy: -0.000
local terms energy: -16.572908
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -3.551
flat angles C4'-P-C4' energy: -4.063
flat angles P-C4'-P energy: -1.140
tors. eta vs tors. theta energy: -3.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -36.819805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.819805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.819805 (E_RNA)
where:
Base-Base interactions energy: -16.496
where: short stacking energy: -16.496
Base-Backbone interact. energy: -0.000
local terms energy: -20.323740
where:
bonds (distance) C4'-P energy: -4.055
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -3.940
flat angles P-C4'-P energy: -2.475
tors. eta vs tors. theta energy: -5.183
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: 2
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -32.464158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.464158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.464158 (E_RNA)
where:
Base-Base interactions energy: -13.445
where: short stacking energy: -13.445
Base-Backbone interact. energy: -0.000
local terms energy: -19.019158
where:
bonds (distance) C4'-P energy: -2.539
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -3.940
flat angles P-C4'-P energy: -3.343
tors. eta vs tors. theta energy: -4.362
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: 6
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -31.409281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.409281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.409281 (E_RNA)
where:
Base-Base interactions energy: -14.577
where: short stacking energy: -8.196
Base-Backbone interact. energy: -0.001
local terms energy: -16.830390
where:
bonds (distance) C4'-P energy: -3.977
bonds (distance) P-C4' energy: -3.071
flat angles C4'-P-C4' energy: -4.093
flat angles P-C4'-P energy: -3.574
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: 4, replica: 7
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -33.031990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.031990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.031990 (E_RNA)
where:
Base-Base interactions energy: -14.249
where: short stacking energy: -14.249
Base-Backbone interact. energy: -0.000
local terms energy: -18.782841
where:
bonds (distance) C4'-P energy: -3.301
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.578
flat angles P-C4'-P energy: -1.700
tors. eta vs tors. theta energy: -4.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -33.743867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.743867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.743867 (E_RNA)
where:
Base-Base interactions energy: -15.446
where: short stacking energy: -15.446
Base-Backbone interact. energy: -0.000
local terms energy: -18.297411
where:
bonds (distance) C4'-P energy: -0.697
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -4.394
flat angles P-C4'-P energy: -3.862
tors. eta vs tors. theta energy: -4.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -26.498893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.498893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.498893 (E_RNA)
where:
Base-Base interactions energy: -8.768
where: short stacking energy: -8.768
Base-Backbone interact. energy: -0.001
local terms energy: -17.730063
where:
bonds (distance) C4'-P energy: -3.045
bonds (distance) P-C4' energy: -4.569
flat angles C4'-P-C4' energy: -4.437
flat angles P-C4'-P energy: -3.180
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: 7, replica: 8
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -25.841096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.841096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.841096 (E_RNA)
where:
Base-Base interactions energy: -7.101
where: short stacking energy: -7.101
Base-Backbone interact. energy: -0.000
local terms energy: -18.740034
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -4.606
flat angles C4'-P-C4' energy: -4.481
flat angles P-C4'-P energy: -2.407
tors. eta vs tors. theta energy: -3.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -27.654670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.654670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.654670 (E_RNA)
where:
Base-Base interactions energy: -10.358
where: short stacking energy: -10.358
Base-Backbone interact. energy: -0.000
local terms energy: -17.297156
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -2.076
flat angles P-C4'-P energy: -3.618
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: 9, replica: 9
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -25.350210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.350210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.350210 (E_RNA)
where:
Base-Base interactions energy: -8.623
where: short stacking energy: -8.623
Base-Backbone interact. energy: -0.000
local terms energy: -16.727246
where:
bonds (distance) C4'-P energy: -2.970
bonds (distance) P-C4' energy: -4.044
flat angles C4'-P-C4' energy: -3.182
flat angles P-C4'-P energy: -3.158
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: 10, replica: 5
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -24.504281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.504281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.504281 (E_RNA)
where:
Base-Base interactions energy: -8.609
where: short stacking energy: -8.609
Base-Backbone interact. energy: -0.000
local terms energy: -15.895288
where:
bonds (distance) C4'-P energy: -2.743
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.490
flat angles P-C4'-P energy: -3.645
tors. eta vs tors. theta energy: -0.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -36.824696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.824696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.824696 (E_RNA)
where:
Base-Base interactions energy: -17.043
where: short stacking energy: -17.043
Base-Backbone interact. energy: -0.000
local terms energy: -19.782080
where:
bonds (distance) C4'-P energy: -2.680
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.487
flat angles P-C4'-P energy: -3.701
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: 2, replica: 1
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -34.896826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.896826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.896826 (E_RNA)
where:
Base-Base interactions energy: -16.867
where: short stacking energy: -16.867
Base-Backbone interact. energy: -0.000
local terms energy: -18.029955
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -3.966
flat angles C4'-P-C4' energy: -3.604
flat angles P-C4'-P energy: -2.867
tors. eta vs tors. theta energy: -3.315
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: 7
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -33.362938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.362938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.362938 (E_RNA)
where:
Base-Base interactions energy: -16.884
where: short stacking energy: -16.884
Base-Backbone interact. energy: -0.000
local terms energy: -16.478519
where:
bonds (distance) C4'-P energy: -3.169
bonds (distance) P-C4' energy: -4.572
flat angles C4'-P-C4' energy: -4.207
flat angles P-C4'-P energy: -0.911
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: 4, replica: 6
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -30.684693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.684693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.684693 (E_RNA)
where:
Base-Base interactions energy: -11.984
where: short stacking energy: -11.984
Base-Backbone interact. energy: -0.009
local terms energy: -18.691801
where:
bonds (distance) C4'-P energy: -3.363
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.676
flat angles P-C4'-P energy: -2.455
tors. eta vs tors. theta energy: -3.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -30.303374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.303374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.303374 (E_RNA)
where:
Base-Base interactions energy: -13.395
where: short stacking energy: -13.395
Base-Backbone interact. energy: -0.000
local terms energy: -16.908659
where:
bonds (distance) C4'-P energy: -3.190
bonds (distance) P-C4' energy: -4.832
flat angles C4'-P-C4' energy: -4.131
flat angles P-C4'-P energy: -2.653
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: 6, replica: 3
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -29.384111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.384111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.384111 (E_RNA)
where:
Base-Base interactions energy: -11.302
where: short stacking energy: -3.782
Base-Backbone interact. energy: -0.005
local terms energy: -18.076772
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -3.856
flat angles P-C4'-P energy: -2.981
tors. eta vs tors. theta energy: -2.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -26.378202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.378202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.378202 (E_RNA)
where:
Base-Base interactions energy: -9.184
where: short stacking energy: -9.184
Base-Backbone interact. energy: -0.000
local terms energy: -17.193744
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -4.416
flat angles C4'-P-C4' energy: -3.832
flat angles P-C4'-P energy: -2.843
tors. eta vs tors. theta energy: -1.808
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: 8, replica: 8
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -27.869455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.869455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.869455 (E_RNA)
where:
Base-Base interactions energy: -8.559
where: short stacking energy: -8.559
Base-Backbone interact. energy: -0.000
local terms energy: -19.310176
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -4.383
flat angles P-C4'-P energy: -2.956
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: 9, replica: 5
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -25.751627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.751627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.751627 (E_RNA)
where:
Base-Base interactions energy: -8.460
where: short stacking energy: -8.460
Base-Backbone interact. energy: -0.000
local terms energy: -17.291445
where:
bonds (distance) C4'-P energy: -3.194
bonds (distance) P-C4' energy: -4.202
flat angles C4'-P-C4' energy: -4.227
flat angles P-C4'-P energy: -2.590
tors. eta vs tors. theta energy: -3.079
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: 362
Temperature: 1.350000
Total energy: -26.107820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.107820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.107820 (E_RNA)
where:
Base-Base interactions energy: -8.604
where: short stacking energy: -8.604
Base-Backbone interact. energy: -0.001
local terms energy: -17.503018
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.309
flat angles P-C4'-P energy: -1.857
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: 1, replica: 2
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -35.841470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.841470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.841470 (E_RNA)
where:
Base-Base interactions energy: -16.030
where: short stacking energy: -16.030
Base-Backbone interact. energy: -0.000
local terms energy: -19.811855
where:
bonds (distance) C4'-P energy: -3.815
bonds (distance) P-C4' energy: -4.410
flat angles C4'-P-C4' energy: -4.505
flat angles P-C4'-P energy: -2.936
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: 2, replica: 7
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -31.120843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.120843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.120843 (E_RNA)
where:
Base-Base interactions energy: -12.886
where: short stacking energy: -12.886
Base-Backbone interact. energy: -0.000
local terms energy: -18.234923
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -2.323
flat angles P-C4'-P energy: -2.472
tors. eta vs tors. theta energy: -4.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -33.753449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.753449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.753449 (E_RNA)
where:
Base-Base interactions energy: -17.042
where: short stacking energy: -17.042
Base-Backbone interact. energy: -0.000
local terms energy: -16.711335
where:
bonds (distance) C4'-P energy: -3.008
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.067
flat angles P-C4'-P energy: -0.870
tors. eta vs tors. theta energy: -4.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -26.957476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.957476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.957476 (E_RNA)
where:
Base-Base interactions energy: -13.013
where: short stacking energy: -13.013
Base-Backbone interact. energy: -0.053
local terms energy: -13.891412
where:
bonds (distance) C4'-P energy: -3.558
bonds (distance) P-C4' energy: -4.367
flat angles C4'-P-C4' energy: -2.773
flat angles P-C4'-P energy: -1.803
tors. eta vs tors. theta energy: -1.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -37.019179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.019179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.019179 (E_RNA)
where:
Base-Base interactions energy: -15.867
where: short stacking energy: -15.867
Base-Backbone interact. energy: -0.000
local terms energy: -21.151821
where:
bonds (distance) C4'-P energy: -3.773
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -4.279
flat angles P-C4'-P energy: -2.956
tors. eta vs tors. theta energy: -5.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -24.350642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.350642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.350642 (E_RNA)
where:
Base-Base interactions energy: -10.206
where: short stacking energy: -10.206
Base-Backbone interact. energy: -0.000
local terms energy: -14.145034
where:
bonds (distance) C4'-P energy: -1.832
bonds (distance) P-C4' energy: -2.478
flat angles C4'-P-C4' energy: -3.887
flat angles P-C4'-P energy: -3.143
tors. eta vs tors. theta energy: -2.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -28.099701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.099701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.099701 (E_RNA)
where:
Base-Base interactions energy: -11.763
where: short stacking energy: -11.763
Base-Backbone interact. energy: -0.000
local terms energy: -16.336162
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -1.050
flat angles P-C4'-P energy: -3.318
tors. eta vs tors. theta energy: -2.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -29.427881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.427881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.427881 (E_RNA)
where:
Base-Base interactions energy: -12.321
where: short stacking energy: -12.321
Base-Backbone interact. energy: -0.000
local terms energy: -17.106667
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.257
flat angles P-C4'-P energy: -2.527
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: 9, replica: 8
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -27.474172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.474172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.474172 (E_RNA)
where:
Base-Base interactions energy: -11.098
where: short stacking energy: -11.098
Base-Backbone interact. energy: -0.000
local terms energy: -16.376372
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.649
flat angles C4'-P-C4' energy: -3.429
flat angles P-C4'-P energy: -2.820
tors. eta vs tors. theta energy: -1.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -26.066305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.066305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.066305 (E_RNA)
where:
Base-Base interactions energy: -11.075
where: short stacking energy: -11.075
Base-Backbone interact. energy: -0.000
local terms energy: -14.991669
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -3.089
flat angles P-C4'-P energy: -1.890
tors. eta vs tors. theta energy: -1.602
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: 1, replica: 7
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -34.732576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.732576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.732576 (E_RNA)
where:
Base-Base interactions energy: -15.393
where: short stacking energy: -15.393
Base-Backbone interact. energy: -0.000
local terms energy: -19.340042
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -4.624
flat angles C4'-P-C4' energy: -4.609
flat angles P-C4'-P energy: -2.294
tors. eta vs tors. theta energy: -3.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -36.017030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.017030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.017030 (E_RNA)
where:
Base-Base interactions energy: -16.720
where: short stacking energy: -16.720
Base-Backbone interact. energy: -0.000
local terms energy: -19.296696
where:
bonds (distance) C4'-P energy: -3.541
bonds (distance) P-C4' energy: -4.603
flat angles C4'-P-C4' energy: -3.262
flat angles P-C4'-P energy: -3.439
tors. eta vs tors. theta energy: -4.452
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: 364
Temperature: 1.000000
Total energy: -31.856953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.856953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.856953 (E_RNA)
where:
Base-Base interactions energy: -17.925
where: short stacking energy: -9.131
Base-Backbone interact. energy: -0.078
local terms energy: -13.853154
where:
bonds (distance) C4'-P energy: -2.804
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.831
flat angles P-C4'-P energy: -1.810
tors. eta vs tors. theta energy: -0.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -38.779624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.779624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.779624 (E_RNA)
where:
Base-Base interactions energy: -16.878
where: short stacking energy: -16.878
Base-Backbone interact. energy: -0.000
local terms energy: -21.901776
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.520
flat angles P-C4'-P energy: -3.555
tors. eta vs tors. theta energy: -4.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -34.655738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.655738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.655738 (E_RNA)
where:
Base-Base interactions energy: -14.097
where: short stacking energy: -14.097
Base-Backbone interact. energy: -0.000
local terms energy: -20.559052
where:
bonds (distance) C4'-P energy: -4.233
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -2.895
flat angles P-C4'-P energy: -3.607
tors. eta vs tors. theta energy: -4.734
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: 6
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -27.367628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.367628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.367628 (E_RNA)
where:
Base-Base interactions energy: -8.432
where: short stacking energy: -8.432
Base-Backbone interact. energy: -0.000
local terms energy: -18.935045
where:
bonds (distance) C4'-P energy: -3.673
bonds (distance) P-C4' energy: -4.044
flat angles C4'-P-C4' energy: -4.447
flat angles P-C4'-P energy: -3.673
tors. eta vs tors. theta energy: -3.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -28.013075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.013075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.013075 (E_RNA)
where:
Base-Base interactions energy: -10.820
where: short stacking energy: -10.820
Base-Backbone interact. energy: -0.000
local terms energy: -17.192883
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.406
flat angles C4'-P-C4' energy: -3.198
flat angles P-C4'-P energy: -3.843
tors. eta vs tors. theta energy: -1.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -25.230430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.230430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.230430 (E_RNA)
where:
Base-Base interactions energy: -8.521
where: short stacking energy: -8.521
Base-Backbone interact. energy: -0.057
local terms energy: -16.652301
where:
bonds (distance) C4'-P energy: -3.629
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -3.539
flat angles P-C4'-P energy: -3.611
tors. eta vs tors. theta energy: -1.013
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: 364
Temperature: 1.300000
Total energy: -26.497421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.497421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.497421 (E_RNA)
where:
Base-Base interactions energy: -12.034
where: short stacking energy: -11.744
Base-Backbone interact. energy: -0.002
local terms energy: -14.461411
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -2.339
flat angles C4'-P-C4' energy: -2.546
flat angles P-C4'-P energy: -3.854
tors. eta vs tors. theta energy: -1.790
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: 8
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -19.499788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.499788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.499788 (E_RNA)
where:
Base-Base interactions energy: -8.569
where: short stacking energy: -8.569
Base-Backbone interact. energy: -0.001
local terms energy: -10.929466
where:
bonds (distance) C4'-P energy: -2.531
bonds (distance) P-C4' energy: -2.029
flat angles C4'-P-C4' energy: -4.544
flat angles P-C4'-P energy: -1.029
tors. eta vs tors. theta energy: -0.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -32.091641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.091641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.091641 (E_RNA)
where:
Base-Base interactions energy: -12.830
where: short stacking energy: -12.830
Base-Backbone interact. energy: -0.000
local terms energy: -19.261700
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -3.981
flat angles P-C4'-P energy: -3.644
tors. eta vs tors. theta energy: -3.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -34.025379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.025379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.025379 (E_RNA)
where:
Base-Base interactions energy: -17.113
where: short stacking energy: -17.113
Base-Backbone interact. energy: -0.000
local terms energy: -16.912118
where:
bonds (distance) C4'-P energy: -2.626
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -4.029
flat angles P-C4'-P energy: -1.423
tors. eta vs tors. theta energy: -3.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -25.916992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.916992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.916992 (E_RNA)
where:
Base-Base interactions energy: -7.858
where: short stacking energy: -7.858
Base-Backbone interact. energy: -0.099
local terms energy: -17.959531
where:
bonds (distance) C4'-P energy: -3.541
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -3.340
flat angles P-C4'-P energy: -3.352
tors. eta vs tors. theta energy: -2.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -30.335628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.335628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.335628 (E_RNA)
where:
Base-Base interactions energy: -12.548
where: short stacking energy: -10.508
Base-Backbone interact. energy: -0.001
local terms energy: -17.786562
where:
bonds (distance) C4'-P energy: -4.125
bonds (distance) P-C4' energy: -4.839
flat angles C4'-P-C4' energy: -3.734
flat angles P-C4'-P energy: -2.392
tors. eta vs tors. theta energy: -2.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -32.696733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.696733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.696733 (E_RNA)
where:
Base-Base interactions energy: -15.366
where: short stacking energy: -15.366
Base-Backbone interact. energy: -0.000
local terms energy: -17.330559
where:
bonds (distance) C4'-P energy: -3.487
bonds (distance) P-C4' energy: -3.895
flat angles C4'-P-C4' energy: -3.635
flat angles P-C4'-P energy: -2.571
tors. eta vs tors. theta energy: -3.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -25.652829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.652829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.652829 (E_RNA)
where:
Base-Base interactions energy: -6.489
where: short stacking energy: -6.489
Base-Backbone interact. energy: -0.000
local terms energy: -19.163918
where:
bonds (distance) C4'-P energy: -3.256
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.655
flat angles P-C4'-P energy: -3.060
tors. eta vs tors. theta energy: -3.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -32.789672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.789672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.789672 (E_RNA)
where:
Base-Base interactions energy: -14.794
where: short stacking energy: -14.794
Base-Backbone interact. energy: -0.000
local terms energy: -17.996130
where:
bonds (distance) C4'-P energy: -3.335
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.038
flat angles P-C4'-P energy: -2.853
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: 8, replica: 9
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -24.970267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.970267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.970267 (E_RNA)
where:
Base-Base interactions energy: -11.221
where: short stacking energy: -11.221
Base-Backbone interact. energy: -0.000
local terms energy: -13.748908
where:
bonds (distance) C4'-P energy: -1.827
bonds (distance) P-C4' energy: -4.406
flat angles C4'-P-C4' energy: -3.035
flat angles P-C4'-P energy: 0.102
tors. eta vs tors. theta energy: -4.582
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: 365
Temperature: 1.300000
Total energy: -28.449055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.449055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.449055 (E_RNA)
where:
Base-Base interactions energy: -10.826
where: short stacking energy: -10.826
Base-Backbone interact. energy: -0.000
local terms energy: -17.623414
where:
bonds (distance) C4'-P energy: -2.962
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.740
flat angles P-C4'-P energy: -1.362
tors. eta vs tors. theta energy: -4.466
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: 8
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -30.402262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.402262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.402262 (E_RNA)
where:
Base-Base interactions energy: -12.236
where: short stacking energy: -12.236
Base-Backbone interact. energy: -0.000
local terms energy: -18.166465
where:
bonds (distance) C4'-P energy: -2.904
bonds (distance) P-C4' energy: -3.128
flat angles C4'-P-C4' energy: -4.476
flat angles P-C4'-P energy: -3.176
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: 1, replica: 2
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -30.351007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.351007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.351007 (E_RNA)
where:
Base-Base interactions energy: -13.557
where: short stacking energy: -4.752
Base-Backbone interact. energy: -0.070
local terms energy: -16.723679
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.464
flat angles P-C4'-P energy: -3.165
tors. eta vs tors. theta energy: -0.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -36.775853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.775853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.775853 (E_RNA)
where:
Base-Base interactions energy: -16.602
where: short stacking energy: -16.602
Base-Backbone interact. energy: -0.000
local terms energy: -20.174130
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.624
flat angles C4'-P-C4' energy: -4.049
flat angles P-C4'-P energy: -3.119
tors. eta vs tors. theta energy: -4.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -31.905840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.905840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.905840 (E_RNA)
where:
Base-Base interactions energy: -13.058
where: short stacking energy: -13.058
Base-Backbone interact. energy: -0.063
local terms energy: -18.784810
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.839
flat angles C4'-P-C4' energy: -3.696
flat angles P-C4'-P energy: -3.171
tors. eta vs tors. theta energy: -2.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -29.100339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.100339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.100339 (E_RNA)
where:
Base-Base interactions energy: -11.694
where: short stacking energy: -11.694
Base-Backbone interact. energy: -0.000
local terms energy: -17.405775
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -3.807
flat angles P-C4'-P energy: -3.641
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: 5, replica: 5
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -28.630954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.630954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.630954 (E_RNA)
where:
Base-Base interactions energy: -12.416
where: short stacking energy: -12.416
Base-Backbone interact. energy: -0.006
local terms energy: -16.208981
where:
bonds (distance) C4'-P energy: -3.256
bonds (distance) P-C4' energy: -3.944
flat angles C4'-P-C4' energy: -3.807
flat angles P-C4'-P energy: -3.673
tors. eta vs tors. theta energy: -1.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -29.165707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.165707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.165707 (E_RNA)
where:
Base-Base interactions energy: -11.069
where: short stacking energy: -11.069
Base-Backbone interact. energy: -0.000
local terms energy: -18.096784
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -4.653
flat angles C4'-P-C4' energy: -2.382
flat angles P-C4'-P energy: -3.241
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: 7, replica: 9
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -25.974947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.974947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.974947 (E_RNA)
where:
Base-Base interactions energy: -12.364
where: short stacking energy: -7.490
Base-Backbone interact. energy: -0.009
local terms energy: -13.601622
where:
bonds (distance) C4'-P energy: -2.565
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -2.856
flat angles P-C4'-P energy: -3.709
tors. eta vs tors. theta energy: -0.037
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: 6
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -24.965924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.965924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.965924 (E_RNA)
where:
Base-Base interactions energy: -8.167
where: short stacking energy: -8.167
Base-Backbone interact. energy: -0.000
local terms energy: -16.798753
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -2.762
flat angles P-C4'-P energy: -3.776
tors. eta vs tors. theta energy: -0.385
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: 9, replica: 8
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -34.126013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.126013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.126013 (E_RNA)
where:
Base-Base interactions energy: -15.057
where: short stacking energy: -15.057
Base-Backbone interact. energy: -0.000
local terms energy: -19.068835
where:
bonds (distance) C4'-P energy: -3.753
bonds (distance) P-C4' energy: -4.342
flat angles C4'-P-C4' energy: -4.392
flat angles P-C4'-P energy: -3.135
tors. eta vs tors. theta energy: -3.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -26.054350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.054350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.054350 (E_RNA)
where:
Base-Base interactions energy: -11.637
where: short stacking energy: -11.637
Base-Backbone interact. energy: -0.000
local terms energy: -14.416670
where:
bonds (distance) C4'-P energy: -3.637
bonds (distance) P-C4' energy: -3.987
flat angles C4'-P-C4' energy: -4.013
flat angles P-C4'-P energy: -1.806
tors. eta vs tors. theta energy: -0.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -33.242975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.242975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.242975 (E_RNA)
where:
Base-Base interactions energy: -13.883
where: short stacking energy: -13.883
Base-Backbone interact. energy: -0.006
local terms energy: -19.354129
where:
bonds (distance) C4'-P energy: -4.750
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -3.849
flat angles P-C4'-P energy: -2.727
tors. eta vs tors. theta energy: -3.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -38.053613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.053613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.053613 (E_RNA)
where:
Base-Base interactions energy: -16.214
where: short stacking energy: -16.214
Base-Backbone interact. energy: -0.000
local terms energy: -21.839187
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -4.486
flat angles P-C4'-P energy: -2.839
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: 3, replica: 7
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -34.509659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.509659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.509659 (E_RNA)
where:
Base-Base interactions energy: -17.477
where: short stacking energy: -17.477
Base-Backbone interact. energy: -0.000
local terms energy: -17.032539
where:
bonds (distance) C4'-P energy: -3.277
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -3.416
flat angles P-C4'-P energy: -1.754
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: 4, replica: 5
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -35.689782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.689782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.689782 (E_RNA)
where:
Base-Base interactions energy: -17.266
where: short stacking energy: -17.266
Base-Backbone interact. energy: -0.000
local terms energy: -18.424232
where:
bonds (distance) C4'-P energy: -1.766
bonds (distance) P-C4' energy: -4.336
flat angles C4'-P-C4' energy: -4.628
flat angles P-C4'-P energy: -2.401
tors. eta vs tors. theta energy: -5.294
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: 4
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -27.902799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.902799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.902799 (E_RNA)
where:
Base-Base interactions energy: -10.566
where: short stacking energy: -4.670
Base-Backbone interact. energy: -0.076
local terms energy: -17.260610
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.433
flat angles P-C4'-P energy: -2.936
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: 6, replica: 9
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -28.274252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.274252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.274252 (E_RNA)
where:
Base-Base interactions energy: -11.482
where: short stacking energy: -11.482
Base-Backbone interact. energy: -0.000
local terms energy: -16.792670
where:
bonds (distance) C4'-P energy: -3.363
bonds (distance) P-C4' energy: -4.082
flat angles C4'-P-C4' energy: -1.710
flat angles P-C4'-P energy: -2.861
tors. eta vs tors. theta energy: -4.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -32.415859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.415859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.415859 (E_RNA)
where:
Base-Base interactions energy: -13.377
where: short stacking energy: -13.377
Base-Backbone interact. energy: -0.000
local terms energy: -19.038395
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.615
flat angles P-C4'-P energy: -1.741
tors. eta vs tors. theta energy: -4.612
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: 8, replica: 8
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -28.516913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.516913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.516913 (E_RNA)
where:
Base-Base interactions energy: -11.927
where: short stacking energy: -11.927
Base-Backbone interact. energy: -0.000
local terms energy: -16.589425
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.867
flat angles C4'-P-C4' energy: -3.091
flat angles P-C4'-P energy: -2.200
tors. eta vs tors. theta energy: -2.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -31.780652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.780652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.780652 (E_RNA)
where:
Base-Base interactions energy: -17.122
where: short stacking energy: -9.249
Base-Backbone interact. energy: -0.004
local terms energy: -14.654226
where:
bonds (distance) C4'-P energy: -2.928
bonds (distance) P-C4' energy: -2.550
flat angles C4'-P-C4' energy: -4.468
flat angles P-C4'-P energy: -3.373
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: 10, replica: 3
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -22.166956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.166956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.166956 (E_RNA)
where:
Base-Base interactions energy: -8.540
where: short stacking energy: -8.540
Base-Backbone interact. energy: -0.000
local terms energy: -13.626798
where:
bonds (distance) C4'-P energy: -3.372
bonds (distance) P-C4' energy: -3.103
flat angles C4'-P-C4' energy: -4.345
flat angles P-C4'-P energy: -1.310
tors. eta vs tors. theta energy: -1.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -36.325724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.325724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.325724 (E_RNA)
where:
Base-Base interactions energy: -17.345
where: short stacking energy: -17.345
Base-Backbone interact. energy: -0.000
local terms energy: -18.980558
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.149
flat angles C4'-P-C4' energy: -3.711
flat angles P-C4'-P energy: -2.002
tors. eta vs tors. theta energy: -4.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -36.885222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.885222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.885222 (E_RNA)
where:
Base-Base interactions energy: -17.287
where: short stacking energy: -17.287
Base-Backbone interact. energy: -0.000
local terms energy: -19.598601
where:
bonds (distance) C4'-P energy: -3.708
bonds (distance) P-C4' energy: -3.321
flat angles C4'-P-C4' energy: -4.364
flat angles P-C4'-P energy: -2.816
tors. eta vs tors. theta energy: -5.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -29.753089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.753089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.753089 (E_RNA)
where:
Base-Base interactions energy: -11.723
where: short stacking energy: -11.723
Base-Backbone interact. energy: -0.000
local terms energy: -18.030308
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -3.552
flat angles P-C4'-P energy: -3.226
tors. eta vs tors. theta energy: -2.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -33.057938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.057938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.057938 (E_RNA)
where:
Base-Base interactions energy: -14.358
where: short stacking energy: -14.358
Base-Backbone interact. energy: -0.000
local terms energy: -18.699811
where:
bonds (distance) C4'-P energy: -3.699
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -2.069
flat angles P-C4'-P energy: -3.233
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: 5, replica: 9
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -32.142208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.142208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.142208 (E_RNA)
where:
Base-Base interactions energy: -14.028
where: short stacking energy: -14.028
Base-Backbone interact. energy: -0.000
local terms energy: -18.113975
where:
bonds (distance) C4'-P energy: -3.815
bonds (distance) P-C4' energy: -4.177
flat angles C4'-P-C4' energy: -4.375
flat angles P-C4'-P energy: -1.683
tors. eta vs tors. theta energy: -4.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -33.367287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.367287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.367287 (E_RNA)
where:
Base-Base interactions energy: -15.199
where: short stacking energy: -15.199
Base-Backbone interact. energy: -0.000
local terms energy: -18.168735
where:
bonds (distance) C4'-P energy: -2.387
bonds (distance) P-C4' energy: -4.610
flat angles C4'-P-C4' energy: -3.975
flat angles P-C4'-P energy: -2.972
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: 7, replica: 1
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -27.608743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.608743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.608743 (E_RNA)
where:
Base-Base interactions energy: -10.004
where: short stacking energy: -10.004
Base-Backbone interact. energy: -0.000
local terms energy: -17.605160
where:
bonds (distance) C4'-P energy: -3.645
bonds (distance) P-C4' energy: -4.839
flat angles C4'-P-C4' energy: -3.262
flat angles P-C4'-P energy: -1.970
tors. eta vs tors. theta energy: -3.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -27.025056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.025056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.025056 (E_RNA)
where:
Base-Base interactions energy: -10.672
where: short stacking energy: -10.672
Base-Backbone interact. energy: -0.000
local terms energy: -16.352681
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.631
flat angles C4'-P-C4' energy: -2.870
flat angles P-C4'-P energy: -1.662
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: 3
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -23.768306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.768306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.768306 (E_RNA)
where:
Base-Base interactions energy: -15.555
where: short stacking energy: -15.555
Base-Backbone interact. energy: -0.000
local terms energy: -8.212858
where:
bonds (distance) C4'-P energy: -1.534
bonds (distance) P-C4' energy: -3.628
flat angles C4'-P-C4' energy: 3.370
flat angles P-C4'-P energy: -1.789
tors. eta vs tors. theta energy: -4.633
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: 6
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -20.995745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.995745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.995745 (E_RNA)
where:
Base-Base interactions energy: -8.893
where: short stacking energy: -8.893
Base-Backbone interact. energy: -0.150
local terms energy: -11.952544
where:
bonds (distance) C4'-P energy: -2.859
bonds (distance) P-C4' energy: -4.044
flat angles C4'-P-C4' energy: -4.235
flat angles P-C4'-P energy: -1.454
tors. eta vs tors. theta energy: 0.640
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: 10
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -38.678533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.678533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.678533 (E_RNA)
where:
Base-Base interactions energy: -18.274
where: short stacking energy: -18.274
Base-Backbone interact. energy: -0.000
local terms energy: -20.404393
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.649
flat angles C4'-P-C4' energy: -3.528
flat angles P-C4'-P energy: -2.988
tors. eta vs tors. theta energy: -5.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -35.967685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.967685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.967685 (E_RNA)
where:
Base-Base interactions energy: -17.518
where: short stacking energy: -17.518
Base-Backbone interact. energy: -0.000
local terms energy: -18.449746
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -4.294
flat angles P-C4'-P energy: -1.321
tors. eta vs tors. theta energy: -4.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -31.466407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.466407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.466407 (E_RNA)
where:
Base-Base interactions energy: -13.113
where: short stacking energy: -13.113
Base-Backbone interact. energy: -0.000
local terms energy: -18.353293
where:
bonds (distance) C4'-P energy: -3.773
bonds (distance) P-C4' energy: -3.969
flat angles C4'-P-C4' energy: -3.140
flat angles P-C4'-P energy: -3.766
tors. eta vs tors. theta energy: -3.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -33.523794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.523794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.523794 (E_RNA)
where:
Base-Base interactions energy: -12.337
where: short stacking energy: -12.337
Base-Backbone interact. energy: -0.000
local terms energy: -21.187290
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.149
flat angles C4'-P-C4' energy: -4.188
flat angles P-C4'-P energy: -3.785
tors. eta vs tors. theta energy: -4.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -29.164372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.164372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.164372 (E_RNA)
where:
Base-Base interactions energy: -12.905
where: short stacking energy: -12.905
Base-Backbone interact. energy: -0.000
local terms energy: -16.259401
where:
bonds (distance) C4'-P energy: -3.745
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -0.718
flat angles P-C4'-P energy: -3.602
tors. eta vs tors. theta energy: -3.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -26.797494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.797494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.797494 (E_RNA)
where:
Base-Base interactions energy: -11.329
where: short stacking energy: -11.329
Base-Backbone interact. energy: -0.003
local terms energy: -15.465648
where:
bonds (distance) C4'-P energy: -2.788
bonds (distance) P-C4' energy: -4.413
flat angles C4'-P-C4' energy: -3.837
flat angles P-C4'-P energy: -1.762
tors. eta vs tors. theta energy: -2.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -23.387828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.387828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.387828 (E_RNA)
where:
Base-Base interactions energy: -8.107
where: short stacking energy: -8.107
Base-Backbone interact. energy: 0.409
local terms energy: -15.690680
where:
bonds (distance) C4'-P energy: -2.751
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -3.885
flat angles P-C4'-P energy: -3.965
tors. eta vs tors. theta energy: -0.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -24.459531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.459531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.459531 (E_RNA)
where:
Base-Base interactions energy: -8.913
where: short stacking energy: -8.913
Base-Backbone interact. energy: -0.020
local terms energy: -15.526934
where:
bonds (distance) C4'-P energy: -1.492
bonds (distance) P-C4' energy: -4.600
flat angles C4'-P-C4' energy: -4.451
flat angles P-C4'-P energy: -3.892
tors. eta vs tors. theta energy: -1.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -27.608318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.608318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.608318 (E_RNA)
where:
Base-Base interactions energy: -8.224
where: short stacking energy: -8.224
Base-Backbone interact. energy: -0.003
local terms energy: -19.381019
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -3.231
flat angles P-C4'-P energy: -3.023
tors. eta vs tors. theta energy: -3.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -30.564896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.564896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.564896 (E_RNA)
where:
Base-Base interactions energy: -17.344
where: short stacking energy: -8.418
Base-Backbone interact. energy: -0.009
local terms energy: -13.211779
where:
bonds (distance) C4'-P energy: -2.379
bonds (distance) P-C4' energy: -4.205
flat angles C4'-P-C4' energy: -3.956
flat angles P-C4'-P energy: -2.949
tors. eta vs tors. theta energy: 0.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -36.788983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.788983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.788983 (E_RNA)
where:
Base-Base interactions energy: -17.395
where: short stacking energy: -17.395
Base-Backbone interact. energy: -0.000
local terms energy: -19.394174
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -3.270
flat angles P-C4'-P energy: -3.198
tors. eta vs tors. theta energy: -3.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -32.769626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.769626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.769626 (E_RNA)
where:
Base-Base interactions energy: -13.432
where: short stacking energy: -13.432
Base-Backbone interact. energy: -0.000
local terms energy: -19.337894
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.124
flat angles P-C4'-P energy: -2.848
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: 3, replica: 7
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -33.231138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.231138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.231138 (E_RNA)
where:
Base-Base interactions energy: -17.068
where: short stacking energy: -11.691
Base-Backbone interact. energy: -0.000
local terms energy: -16.163048
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -4.305
flat angles P-C4'-P energy: -0.517
tors. eta vs tors. theta energy: -1.834
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: 2
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -33.364465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.364465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.364465 (E_RNA)
where:
Base-Base interactions energy: -13.849
where: short stacking energy: -13.849
Base-Backbone interact. energy: -0.000
local terms energy: -19.515015
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.184
flat angles P-C4'-P energy: -2.236
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: 5, replica: 4
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -28.421979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.421979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.421979 (E_RNA)
where:
Base-Base interactions energy: -11.710
where: short stacking energy: -11.710
Base-Backbone interact. energy: -0.005
local terms energy: -16.706978
where:
bonds (distance) C4'-P energy: -4.038
bonds (distance) P-C4' energy: -4.047
flat angles C4'-P-C4' energy: -4.349
flat angles P-C4'-P energy: -3.057
tors. eta vs tors. theta energy: -1.215
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: 6, replica: 9
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -36.761855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.761855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.761855 (E_RNA)
where:
Base-Base interactions energy: -16.909
where: short stacking energy: -16.909
Base-Backbone interact. energy: -0.000
local terms energy: -19.852571
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -2.967
flat angles P-C4'-P energy: -2.566
tors. eta vs tors. theta energy: -4.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -29.760629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.760629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.760629 (E_RNA)
where:
Base-Base interactions energy: -11.854
where: short stacking energy: -11.854
Base-Backbone interact. energy: -0.000
local terms energy: -17.906460
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -3.128
flat angles C4'-P-C4' energy: -4.063
flat angles P-C4'-P energy: -1.661
tors. eta vs tors. theta energy: -4.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -26.131440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.131440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.131440 (E_RNA)
where:
Base-Base interactions energy: -11.270
where: short stacking energy: -11.270
Base-Backbone interact. energy: -0.000
local terms energy: -14.861503
where:
bonds (distance) C4'-P energy: -3.363
bonds (distance) P-C4' energy: -4.047
flat angles C4'-P-C4' energy: -4.751
flat angles P-C4'-P energy: -1.425
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: 6
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -23.122156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.122156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.122156 (E_RNA)
where:
Base-Base interactions energy: -7.167
where: short stacking energy: -7.167
Base-Backbone interact. energy: -0.011
local terms energy: -15.943837
where:
bonds (distance) C4'-P energy: -3.479
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.398
flat angles P-C4'-P energy: -2.119
tors. eta vs tors. theta energy: -1.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -22.744740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.744740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.744740 (E_RNA)
where:
Base-Base interactions energy: -7.157
where: short stacking energy: -7.157
Base-Backbone interact. energy: -0.004
local terms energy: -15.584239
where:
bonds (distance) C4'-P energy: -3.397
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -3.919
flat angles P-C4'-P energy: -2.672
tors. eta vs tors. theta energy: -0.238
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: 371
Temperature: 0.900000
Total energy: -39.834174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.834174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.834174 (E_RNA)
where:
Base-Base interactions energy: -16.985
where: short stacking energy: -16.985
Base-Backbone interact. energy: -0.000
local terms energy: -22.848797
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.555
flat angles P-C4'-P energy: -3.564
tors. eta vs tors. theta energy: -5.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -37.432489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.432489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.432489 (E_RNA)
where:
Base-Base interactions energy: -16.421
where: short stacking energy: -16.421
Base-Backbone interact. energy: -0.000
local terms energy: -21.011072
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.252
flat angles P-C4'-P energy: -3.319
tors. eta vs tors. theta energy: -4.470
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: 10
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -38.202068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.202068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.202068 (E_RNA)
where:
Base-Base interactions energy: -17.098
where: short stacking energy: -17.098
Base-Backbone interact. energy: -0.000
local terms energy: -21.103766
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -4.339
flat angles C4'-P-C4' energy: -4.657
flat angles P-C4'-P energy: -3.150
tors. eta vs tors. theta energy: -4.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -27.663281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.663281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.663281 (E_RNA)
where:
Base-Base interactions energy: -13.065
where: short stacking energy: -13.065
Base-Backbone interact. energy: -0.000
local terms energy: -14.597562
where:
bonds (distance) C4'-P energy: -1.037
bonds (distance) P-C4' energy: -4.051
flat angles C4'-P-C4' energy: -4.521
flat angles P-C4'-P energy: -1.239
tors. eta vs tors. theta energy: -3.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -31.924851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.924851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.924851 (E_RNA)
where:
Base-Base interactions energy: -14.645
where: short stacking energy: -14.479
Base-Backbone interact. energy: -0.000
local terms energy: -17.279777
where:
bonds (distance) C4'-P energy: -3.277
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -4.536
flat angles P-C4'-P energy: -2.062
tors. eta vs tors. theta energy: -2.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -29.324077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.324077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.324077 (E_RNA)
where:
Base-Base interactions energy: -11.135
where: short stacking energy: -11.135
Base-Backbone interact. energy: -0.001
local terms energy: -18.188496
where:
bonds (distance) C4'-P energy: -3.691
bonds (distance) P-C4' energy: -4.656
flat angles C4'-P-C4' energy: -3.008
flat angles P-C4'-P energy: -3.026
tors. eta vs tors. theta energy: -3.807
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: 9
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -24.455027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.455027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.455027 (E_RNA)
where:
Base-Base interactions energy: -9.837
where: short stacking energy: -9.837
Base-Backbone interact. energy: -0.031
local terms energy: -14.587096
where:
bonds (distance) C4'-P energy: -3.673
bonds (distance) P-C4' energy: -4.410
flat angles C4'-P-C4' energy: -4.074
flat angles P-C4'-P energy: -2.386
tors. eta vs tors. theta energy: -0.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -28.883100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.883100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.883100 (E_RNA)
where:
Base-Base interactions energy: -11.485
where: short stacking energy: -11.485
Base-Backbone interact. energy: -0.000
local terms energy: -17.398393
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.047
flat angles C4'-P-C4' energy: -4.080
flat angles P-C4'-P energy: -1.988
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: 9, replica: 1
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -33.929875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.929875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.929875 (E_RNA)
where:
Base-Base interactions energy: -15.721
where: short stacking energy: -15.721
Base-Backbone interact. energy: -0.000
local terms energy: -18.209163
where:
bonds (distance) C4'-P energy: -1.852
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -4.452
flat angles P-C4'-P energy: -3.241
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: 10, replica: 8
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -24.285166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.285166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.285166 (E_RNA)
where:
Base-Base interactions energy: -8.771
where: short stacking energy: -8.771
Base-Backbone interact. energy: -0.000
local terms energy: -15.514371
where:
bonds (distance) C4'-P energy: -3.541
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -0.842
flat angles P-C4'-P energy: -1.882
tors. eta vs tors. theta energy: -4.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -33.297073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.297073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.297073 (E_RNA)
where:
Base-Base interactions energy: -11.917
where: short stacking energy: -11.917
Base-Backbone interact. energy: -0.000
local terms energy: -21.380175
where:
bonds (distance) C4'-P energy: -3.781
bonds (distance) P-C4' energy: -4.314
flat angles C4'-P-C4' energy: -4.632
flat angles P-C4'-P energy: -3.404
tors. eta vs tors. theta energy: -5.249
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: 5
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -37.260564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.260564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.260564 (E_RNA)
where:
Base-Base interactions energy: -18.037
where: short stacking energy: -18.037
Base-Backbone interact. energy: -0.000
local terms energy: -19.223693
where:
bonds (distance) C4'-P energy: -4.303
bonds (distance) P-C4' energy: -4.177
flat angles C4'-P-C4' energy: -3.111
flat angles P-C4'-P energy: -2.887
tors. eta vs tors. theta energy: -4.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -36.342176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.342176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.342176 (E_RNA)
where:
Base-Base interactions energy: -17.296
where: short stacking energy: -17.296
Base-Backbone interact. energy: -0.000
local terms energy: -19.046358
where:
bonds (distance) C4'-P energy: -4.419
bonds (distance) P-C4' energy: -3.751
flat angles C4'-P-C4' energy: -3.937
flat angles P-C4'-P energy: -2.123
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: 4, replica: 10
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -35.614908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.614908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.614908 (E_RNA)
where:
Base-Base interactions energy: -15.083
where: short stacking energy: -15.083
Base-Backbone interact. energy: -0.000
local terms energy: -20.531617
where:
bonds (distance) C4'-P energy: -4.125
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -4.924
flat angles P-C4'-P energy: -2.055
tors. eta vs tors. theta energy: -4.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -31.677474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.677474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.677474 (E_RNA)
where:
Base-Base interactions energy: -12.368
where: short stacking energy: -12.368
Base-Backbone interact. energy: -0.000
local terms energy: -19.309106
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.220
flat angles P-C4'-P energy: -1.289
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: 6, replica: 2
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -34.947040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.947040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.947040 (E_RNA)
where:
Base-Base interactions energy: -15.638
where: short stacking energy: -15.638
Base-Backbone interact. energy: -0.000
local terms energy: -19.308619
where:
bonds (distance) C4'-P energy: -3.629
bonds (distance) P-C4' energy: -4.624
flat angles C4'-P-C4' energy: -4.799
flat angles P-C4'-P energy: -2.953
tors. eta vs tors. theta energy: -3.304
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: 6
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -28.020005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.020005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.020005 (E_RNA)
where:
Base-Base interactions energy: -8.122
where: short stacking energy: -8.122
Base-Backbone interact. energy: -0.000
local terms energy: -19.897715
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -4.135
flat angles P-C4'-P energy: -3.693
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: 9
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -24.674404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.674404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.674404 (E_RNA)
where:
Base-Base interactions energy: -5.759
where: short stacking energy: -5.759
Base-Backbone interact. energy: -0.000
local terms energy: -18.915620
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -4.480
flat angles P-C4'-P energy: -3.469
tors. eta vs tors. theta energy: -1.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -25.405817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.405817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.405817 (E_RNA)
where:
Base-Base interactions energy: -8.922
where: short stacking energy: -8.922
Base-Backbone interact. energy: -0.000
local terms energy: -16.483926
where:
bonds (distance) C4'-P energy: -3.442
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.642
flat angles P-C4'-P energy: -0.735
tors. eta vs tors. theta energy: -2.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -23.223691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.223691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.223691 (E_RNA)
where:
Base-Base interactions energy: -8.730
where: short stacking energy: -8.730
Base-Backbone interact. energy: -0.009
local terms energy: -14.484491
where:
bonds (distance) C4'-P energy: -3.045
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -2.491
flat angles P-C4'-P energy: -1.749
tors. eta vs tors. theta energy: -2.078
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: 7
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -38.621111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.621111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.621111 (E_RNA)
where:
Base-Base interactions energy: -16.647
where: short stacking energy: -16.647
Base-Backbone interact. energy: -0.000
local terms energy: -21.973613
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.653
flat angles C4'-P-C4' energy: -4.221
flat angles P-C4'-P energy: -3.824
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: 2, replica: 4
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -30.821898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.821898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.821898 (E_RNA)
where:
Base-Base interactions energy: -12.874
where: short stacking energy: -12.874
Base-Backbone interact. energy: -0.000
local terms energy: -17.948234
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -3.134
flat angles C4'-P-C4' energy: -3.856
flat angles P-C4'-P energy: -3.346
tors. eta vs tors. theta energy: -3.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -28.852092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.852092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.852092 (E_RNA)
where:
Base-Base interactions energy: -16.042
where: short stacking energy: -7.943
Base-Backbone interact. energy: -0.010
local terms energy: -12.799496
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -3.364
flat angles C4'-P-C4' energy: -3.807
flat angles P-C4'-P energy: -1.862
tors. eta vs tors. theta energy: 0.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -35.022079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.022079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.022079 (E_RNA)
where:
Base-Base interactions energy: -15.580
where: short stacking energy: -15.580
Base-Backbone interact. energy: -0.000
local terms energy: -19.442117
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.628
flat angles C4'-P-C4' energy: -4.500
flat angles P-C4'-P energy: -2.431
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: 5, replica: 10
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -26.231467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.231467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.231467 (E_RNA)
where:
Base-Base interactions energy: -7.703
where: short stacking energy: -7.119
Base-Backbone interact. energy: -0.010
local terms energy: -18.518837
where:
bonds (distance) C4'-P energy: -3.745
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -4.107
flat angles P-C4'-P energy: -3.100
tors. eta vs tors. theta energy: -2.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -34.363622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.363622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.363622 (E_RNA)
where:
Base-Base interactions energy: -15.009
where: short stacking energy: -15.009
Base-Backbone interact. energy: -0.000
local terms energy: -19.354893
where:
bonds (distance) C4'-P energy: -3.433
bonds (distance) P-C4' energy: -4.156
flat angles C4'-P-C4' energy: -4.299
flat angles P-C4'-P energy: -2.362
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: 7, replica: 2
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -33.617948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.617948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.617948 (E_RNA)
where:
Base-Base interactions energy: -13.846
where: short stacking energy: -13.846
Base-Backbone interact. energy: -0.000
local terms energy: -19.772325
where:
bonds (distance) C4'-P energy: -4.279
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -4.255
flat angles P-C4'-P energy: -3.248
tors. eta vs tors. theta energy: -2.632
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: 8, replica: 8
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -23.598028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.598028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.598028 (E_RNA)
where:
Base-Base interactions energy: -8.834
where: short stacking energy: -7.381
Base-Backbone interact. energy: -0.012
local terms energy: -14.752236
where:
bonds (distance) C4'-P energy: -3.273
bonds (distance) P-C4' energy: -4.628
flat angles C4'-P-C4' energy: -4.190
flat angles P-C4'-P energy: -2.798
tors. eta vs tors. theta energy: 0.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -22.199245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.199245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.199245 (E_RNA)
where:
Base-Base interactions energy: -7.027
where: short stacking energy: -7.027
Base-Backbone interact. energy: -0.031
local terms energy: -15.141059
where:
bonds (distance) C4'-P energy: -2.812
bonds (distance) P-C4' energy: -3.257
flat angles C4'-P-C4' energy: -2.921
flat angles P-C4'-P energy: -3.721
tors. eta vs tors. theta energy: -2.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -28.023196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.023196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.023196 (E_RNA)
where:
Base-Base interactions energy: -6.309
where: short stacking energy: -6.309
Base-Backbone interact. energy: -0.000
local terms energy: -21.714442
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -4.649
flat angles C4'-P-C4' energy: -4.438
flat angles P-C4'-P energy: -3.204
tors. eta vs tors. theta energy: -5.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -38.178780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.178780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.178780 (E_RNA)
where:
Base-Base interactions energy: -16.810
where: short stacking energy: -16.810
Base-Backbone interact. energy: -0.000
local terms energy: -21.368761
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.413
flat angles C4'-P-C4' energy: -3.393
flat angles P-C4'-P energy: -3.767
tors. eta vs tors. theta energy: -5.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -36.713165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.713165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.713165 (E_RNA)
where:
Base-Base interactions energy: -15.558
where: short stacking energy: -15.558
Base-Backbone interact. energy: -0.000
local terms energy: -21.155252
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.273
flat angles P-C4'-P energy: -3.005
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: 3, replica: 5
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -34.959198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.959198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.959198 (E_RNA)
where:
Base-Base interactions energy: -16.579
where: short stacking energy: -16.579
Base-Backbone interact. energy: -0.000
local terms energy: -18.379757
where:
bonds (distance) C4'-P energy: -2.900
bonds (distance) P-C4' energy: -3.730
flat angles C4'-P-C4' energy: -4.258
flat angles P-C4'-P energy: -3.862
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: 4, replica: 3
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -36.647143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.647143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.647143 (E_RNA)
where:
Base-Base interactions energy: -14.503
where: short stacking energy: -14.503
Base-Backbone interact. energy: -0.000
local terms energy: -22.143752
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.682
flat angles P-C4'-P energy: -3.387
tors. eta vs tors. theta energy: -4.856
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: 374
Temperature: 1.100000
Total energy: -31.266037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.266037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.266037 (E_RNA)
where:
Base-Base interactions energy: -13.215
where: short stacking energy: -13.215
Base-Backbone interact. energy: -0.000
local terms energy: -18.051185
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -2.244
flat angles P-C4'-P energy: -2.772
tors. eta vs tors. theta energy: -3.464
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: 10
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -33.703277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.703277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.703277 (E_RNA)
where:
Base-Base interactions energy: -15.727
where: short stacking energy: -15.727
Base-Backbone interact. energy: -0.000
local terms energy: -17.976763
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -4.080
flat angles P-C4'-P energy: -1.859
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: 7, replica: 8
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -28.721627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.721627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.721627 (E_RNA)
where:
Base-Base interactions energy: -11.452
where: short stacking energy: -11.452
Base-Backbone interact. energy: -0.008
local terms energy: -17.261411
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.810
flat angles P-C4'-P energy: -2.398
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: 8, replica: 2
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -26.370190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.370190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.370190 (E_RNA)
where:
Base-Base interactions energy: -8.060
where: short stacking energy: -8.060
Base-Backbone interact. energy: -0.000
local terms energy: -18.310304
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -4.397
flat angles P-C4'-P energy: -3.950
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: 9
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -26.269231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.269231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.269231 (E_RNA)
where:
Base-Base interactions energy: -9.506
where: short stacking energy: -9.506
Base-Backbone interact. energy: 0.027
local terms energy: -16.790578
where:
bonds (distance) C4'-P energy: -3.044
bonds (distance) P-C4' energy: -3.364
flat angles C4'-P-C4' energy: -4.343
flat angles P-C4'-P energy: -2.031
tors. eta vs tors. theta energy: -4.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -26.261555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.261555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.261555 (E_RNA)
where:
Base-Base interactions energy: -12.129
where: short stacking energy: -12.129
Base-Backbone interact. energy: -0.000
local terms energy: -14.132202
where:
bonds (distance) C4'-P energy: -2.768
bonds (distance) P-C4' energy: -4.413
flat angles C4'-P-C4' energy: -3.296
flat angles P-C4'-P energy: -0.485
tors. eta vs tors. theta energy: -3.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -31.175151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.175151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.175151 (E_RNA)
where:
Base-Base interactions energy: -10.728
where: short stacking energy: -10.728
Base-Backbone interact. energy: -0.049
local terms energy: -20.398300
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.135
flat angles P-C4'-P energy: -3.947
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: 2, replica: 5
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -37.667328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.667328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.667328 (E_RNA)
where:
Base-Base interactions energy: -17.659
where: short stacking energy: -17.659
Base-Backbone interact. energy: -0.000
local terms energy: -20.008107
where:
bonds (distance) C4'-P energy: -4.303
bonds (distance) P-C4' energy: -4.152
flat angles C4'-P-C4' energy: -4.962
flat angles P-C4'-P energy: -1.869
tors. eta vs tors. theta energy: -4.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -37.682602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.682602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.682602 (E_RNA)
where:
Base-Base interactions energy: -18.065
where: short stacking energy: -18.065
Base-Backbone interact. energy: -0.000
local terms energy: -19.617127
where:
bonds (distance) C4'-P energy: -3.281
bonds (distance) P-C4' energy: -4.085
flat angles C4'-P-C4' energy: -4.101
flat angles P-C4'-P energy: -2.588
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: 4, replica: 6
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -33.203792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.203792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.203792 (E_RNA)
where:
Base-Base interactions energy: -11.226
where: short stacking energy: -11.226
Base-Backbone interact. energy: -0.000
local terms energy: -21.977810
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.854
flat angles P-C4'-P energy: -2.428
tors. eta vs tors. theta energy: -4.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -29.177920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.177920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.177920 (E_RNA)
where:
Base-Base interactions energy: -13.034
where: short stacking energy: -13.034
Base-Backbone interact. energy: -0.000
local terms energy: -16.143880
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -3.708
flat angles C4'-P-C4' energy: -4.573
flat angles P-C4'-P energy: -1.035
tors. eta vs tors. theta energy: -2.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -30.811769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.811769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.811769 (E_RNA)
where:
Base-Base interactions energy: -14.623
where: short stacking energy: -14.623
Base-Backbone interact. energy: -0.000
local terms energy: -16.188703
where:
bonds (distance) C4'-P energy: -2.270
bonds (distance) P-C4' energy: -3.790
flat angles C4'-P-C4' energy: -4.017
flat angles P-C4'-P energy: -2.687
tors. eta vs tors. theta energy: -3.425
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: 7, replica: 10
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -25.070061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.070061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.070061 (E_RNA)
where:
Base-Base interactions energy: -11.424
where: short stacking energy: -11.424
Base-Backbone interact. energy: -0.000
local terms energy: -13.645508
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -4.631
flat angles C4'-P-C4' energy: -1.120
flat angles P-C4'-P energy: -1.791
tors. eta vs tors. theta energy: -1.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -30.055976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.055976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.055976 (E_RNA)
where:
Base-Base interactions energy: -12.859
where: short stacking energy: -12.859
Base-Backbone interact. energy: -0.000
local terms energy: -17.197329
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -2.870
flat angles C4'-P-C4' energy: -4.573
flat angles P-C4'-P energy: -2.486
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: 9, replica: 2
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -28.470953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.470953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.470953 (E_RNA)
where:
Base-Base interactions energy: -10.162
where: short stacking energy: -10.162
Base-Backbone interact. energy: -0.000
local terms energy: -18.308100
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -4.013
flat angles P-C4'-P energy: -3.078
tors. eta vs tors. theta energy: -1.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -30.907119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.907119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.907119 (E_RNA)
where:
Base-Base interactions energy: -11.852
where: short stacking energy: -11.852
Base-Backbone interact. energy: -0.031
local terms energy: -19.024353
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -3.755
flat angles C4'-P-C4' energy: -4.334
flat angles P-C4'-P energy: -3.216
tors. eta vs tors. theta energy: -3.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -37.406098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.406098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.406098 (E_RNA)
where:
Base-Base interactions energy: -16.434
where: short stacking energy: -16.434
Base-Backbone interact. energy: -0.000
local terms energy: -20.971900
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -3.968
flat angles P-C4'-P energy: -2.753
tors. eta vs tors. theta energy: -5.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -32.923489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.923489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.923489 (E_RNA)
where:
Base-Base interactions energy: -14.082
where: short stacking energy: -14.082
Base-Backbone interact. energy: -0.005
local terms energy: -18.836528
where:
bonds (distance) C4'-P energy: -2.738
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.835
flat angles P-C4'-P energy: -2.901
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: 3, replica: 6
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -33.450933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.450933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.450933 (E_RNA)
where:
Base-Base interactions energy: -13.672
where: short stacking energy: -13.672
Base-Backbone interact. energy: -0.010
local terms energy: -19.768382
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -4.653
flat angles C4'-P-C4' energy: -4.540
flat angles P-C4'-P energy: -2.767
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: 4, replica: 4
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -28.238860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.238860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.238860 (E_RNA)
where:
Base-Base interactions energy: -7.971
where: short stacking energy: -7.971
Base-Backbone interact. energy: -0.001
local terms energy: -20.266791
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.413
flat angles C4'-P-C4' energy: -3.703
flat angles P-C4'-P energy: -3.205
tors. eta vs tors. theta energy: -4.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -32.216592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.216592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.216592 (E_RNA)
where:
Base-Base interactions energy: -12.674
where: short stacking energy: -12.674
Base-Backbone interact. energy: -0.000
local terms energy: -19.542312
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -4.273
flat angles P-C4'-P energy: -3.530
tors. eta vs tors. theta energy: -3.015
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: 3
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -29.132540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.132540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.132540 (E_RNA)
where:
Base-Base interactions energy: -11.496
where: short stacking energy: -11.496
Base-Backbone interact. energy: -0.000
local terms energy: -17.636088
where:
bonds (distance) C4'-P energy: -2.834
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.011
flat angles P-C4'-P energy: -2.871
tors. eta vs tors. theta energy: -3.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -28.404403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.404403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.404403 (E_RNA)
where:
Base-Base interactions energy: -9.792
where: short stacking energy: -9.792
Base-Backbone interact. energy: -0.000
local terms energy: -18.612116
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.413
flat angles C4'-P-C4' energy: -3.478
flat angles P-C4'-P energy: -2.971
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: 8, replica: 10
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -25.320542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.320542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.320542 (E_RNA)
where:
Base-Base interactions energy: -7.148
where: short stacking energy: -7.148
Base-Backbone interact. energy: 0.240
local terms energy: -18.412223
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -2.963
flat angles C4'-P-C4' energy: -4.191
flat angles P-C4'-P energy: -3.683
tors. eta vs tors. theta energy: -3.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -30.749066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.749066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.749066 (E_RNA)
where:
Base-Base interactions energy: -13.706
where: short stacking energy: -13.706
Base-Backbone interact. energy: -0.000
local terms energy: -17.042696
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -3.111
flat angles P-C4'-P energy: -1.578
tors. eta vs tors. theta energy: -3.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -29.772015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.772015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.772015 (E_RNA)
where:
Base-Base interactions energy: -12.647
where: short stacking energy: -12.647
Base-Backbone interact. energy: -0.000
local terms energy: -17.125159
where:
bonds (distance) C4'-P energy: -2.254
bonds (distance) P-C4' energy: -4.047
flat angles C4'-P-C4' energy: -3.409
flat angles P-C4'-P energy: -3.002
tors. eta vs tors. theta energy: -4.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -32.094101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.094101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.094101 (E_RNA)
where:
Base-Base interactions energy: -12.925
where: short stacking energy: -12.925
Base-Backbone interact. energy: -0.000
local terms energy: -19.169091
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.097
flat angles P-C4'-P energy: -3.947
tors. eta vs tors. theta energy: -2.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -27.723732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.723732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.723732 (E_RNA)
where:
Base-Base interactions energy: -15.155
where: short stacking energy: -8.998
Base-Backbone interact. energy: 0.349
local terms energy: -12.917693
where:
bonds (distance) C4'-P energy: -1.827
bonds (distance) P-C4' energy: -4.600
flat angles C4'-P-C4' energy: -4.116
flat angles P-C4'-P energy: -2.972
tors. eta vs tors. theta energy: 0.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -34.183111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.183111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.183111 (E_RNA)
where:
Base-Base interactions energy: -13.162
where: short stacking energy: -13.162
Base-Backbone interact. energy: -0.000
local terms energy: -21.021238
where:
bonds (distance) C4'-P energy: -3.256
bonds (distance) P-C4' energy: -4.392
flat angles C4'-P-C4' energy: -4.644
flat angles P-C4'-P energy: -3.948
tors. eta vs tors. theta energy: -4.782
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: 8
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -33.639925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.639925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.639925 (E_RNA)
where:
Base-Base interactions energy: -14.559
where: short stacking energy: -14.559
Base-Backbone interact. energy: -0.000
local terms energy: -19.080747
where:
bonds (distance) C4'-P energy: -2.738
bonds (distance) P-C4' energy: -4.649
flat angles C4'-P-C4' energy: -4.016
flat angles P-C4'-P energy: -3.928
tors. eta vs tors. theta energy: -3.750
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: 4
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -36.509527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.509527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.509527 (E_RNA)
where:
Base-Base interactions energy: -16.308
where: short stacking energy: -16.308
Base-Backbone interact. energy: -0.000
local terms energy: -20.201293
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.736
flat angles P-C4'-P energy: -2.123
tors. eta vs tors. theta energy: -3.990
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: 9
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -34.893234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.893234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.893234 (E_RNA)
where:
Base-Base interactions energy: -16.895
where: short stacking energy: -16.895
Base-Backbone interact. energy: -0.000
local terms energy: -17.998584
where:
bonds (distance) C4'-P energy: -3.202
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -4.057
flat angles P-C4'-P energy: -2.091
tors. eta vs tors. theta energy: -3.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -29.102954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.102954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.102954 (E_RNA)
where:
Base-Base interactions energy: -10.342
where: short stacking energy: -10.342
Base-Backbone interact. energy: -0.000
local terms energy: -18.761216
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -3.332
flat angles C4'-P-C4' energy: -4.674
flat angles P-C4'-P energy: -2.476
tors. eta vs tors. theta energy: -3.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -27.036996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.036996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.036996 (E_RNA)
where:
Base-Base interactions energy: -9.145
where: short stacking energy: -9.145
Base-Backbone interact. energy: -0.000
local terms energy: -17.891643
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -3.620
flat angles P-C4'-P energy: -3.674
tors. eta vs tors. theta energy: -1.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -25.064675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.064675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.064675 (E_RNA)
where:
Base-Base interactions energy: -12.308
where: short stacking energy: -12.308
Base-Backbone interact. energy: -0.009
local terms energy: -12.747675
where:
bonds (distance) C4'-P energy: -3.024
bonds (distance) P-C4' energy: -4.044
flat angles C4'-P-C4' energy: -2.152
flat angles P-C4'-P energy: -0.894
tors. eta vs tors. theta energy: -2.634
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: 2
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -23.544414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.544414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.544414 (E_RNA)
where:
Base-Base interactions energy: -8.633
where: short stacking energy: -8.633
Base-Backbone interact. energy: 0.172
local terms energy: -15.084073
where:
bonds (distance) C4'-P energy: -3.861
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -3.082
flat angles P-C4'-P energy: -1.612
tors. eta vs tors. theta energy: -1.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -32.052851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.052851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.052851 (E_RNA)
where:
Base-Base interactions energy: -11.890
where: short stacking energy: -11.890
Base-Backbone interact. energy: -0.000
local terms energy: -20.163195
where:
bonds (distance) C4'-P energy: -3.020
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.305
flat angles P-C4'-P energy: -3.479
tors. eta vs tors. theta energy: -4.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -33.169390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.169390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.169390 (E_RNA)
where:
Base-Base interactions energy: -12.057
where: short stacking energy: -12.057
Base-Backbone interact. energy: -0.000
local terms energy: -21.112749
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.201
flat angles P-C4'-P energy: -3.881
tors. eta vs tors. theta energy: -3.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -38.112889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.112889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.112889 (E_RNA)
where:
Base-Base interactions energy: -17.137
where: short stacking energy: -17.137
Base-Backbone interact. energy: -0.000
local terms energy: -20.976027
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -4.047
flat angles C4'-P-C4' energy: -4.369
flat angles P-C4'-P energy: -3.681
tors. eta vs tors. theta energy: -5.222
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: 7
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -32.226541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.226541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.226541 (E_RNA)
where:
Base-Base interactions energy: -10.703
where: short stacking energy: -10.703
Base-Backbone interact. energy: -0.000
local terms energy: -21.524038
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.246
flat angles P-C4'-P energy: -3.384
tors. eta vs tors. theta energy: -4.268
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: 9
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -24.605356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.605356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.605356 (E_RNA)
where:
Base-Base interactions energy: -9.355
where: short stacking energy: -4.382
Base-Backbone interact. energy: -0.100
local terms energy: -15.149931
where:
bonds (distance) C4'-P energy: -2.859
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -4.572
flat angles P-C4'-P energy: -2.959
tors. eta vs tors. theta energy: -0.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -25.436262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.436262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.436262 (E_RNA)
where:
Base-Base interactions energy: -7.464
where: short stacking energy: -7.464
Base-Backbone interact. energy: -0.002
local terms energy: -17.970407
where:
bonds (distance) C4'-P energy: -4.303
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -4.460
flat angles P-C4'-P energy: -2.059
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: 7, replica: 1
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -28.202737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.202737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.202737 (E_RNA)
where:
Base-Base interactions energy: -10.736
where: short stacking energy: -10.736
Base-Backbone interact. energy: -0.000
local terms energy: -17.466483
where:
bonds (distance) C4'-P energy: -3.699
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.922
flat angles P-C4'-P energy: -2.114
tors. eta vs tors. theta energy: -3.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -34.265866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.265866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.265866 (E_RNA)
where:
Base-Base interactions energy: -13.725
where: short stacking energy: -13.725
Base-Backbone interact. energy: -0.000
local terms energy: -20.540783
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -3.931
flat angles P-C4'-P energy: -3.299
tors. eta vs tors. theta energy: -4.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -23.515481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.515481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.515481 (E_RNA)
where:
Base-Base interactions energy: -8.779
where: short stacking energy: -8.779
Base-Backbone interact. energy: -0.000
local terms energy: -14.735670
where:
bonds (distance) C4'-P energy: -3.459
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -4.368
flat angles P-C4'-P energy: -1.810
tors. eta vs tors. theta energy: -0.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -21.365240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.365240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.365240 (E_RNA)
where:
Base-Base interactions energy: -10.589
where: short stacking energy: -10.589
Base-Backbone interact. energy: -0.009
local terms energy: -10.766658
where:
bonds (distance) C4'-P energy: -1.525
bonds (distance) P-C4' energy: -2.895
flat angles C4'-P-C4' energy: -4.640
flat angles P-C4'-P energy: -0.964
tors. eta vs tors. theta energy: -0.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -36.412288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.412288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.412288 (E_RNA)
where:
Base-Base interactions energy: -20.021
where: short stacking energy: -11.253
Base-Backbone interact. energy: -0.003
local terms energy: -16.387757
where:
bonds (distance) C4'-P energy: -2.928
bonds (distance) P-C4' energy: -4.314
flat angles C4'-P-C4' energy: -3.781
flat angles P-C4'-P energy: -3.089
tors. eta vs tors. theta energy: -2.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -35.445733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.445733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.445733 (E_RNA)
where:
Base-Base interactions energy: -15.528
where: short stacking energy: -15.528
Base-Backbone interact. energy: -0.000
local terms energy: -19.917393
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -4.202
flat angles P-C4'-P energy: -2.400
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: 3, replica: 5
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -32.040122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.040122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.040122 (E_RNA)
where:
Base-Base interactions energy: -13.189
where: short stacking energy: -13.119
Base-Backbone interact. energy: -0.841
local terms energy: -18.010289
where:
bonds (distance) C4'-P energy: -2.904
bonds (distance) P-C4' energy: -4.867
flat angles C4'-P-C4' energy: -3.307
flat angles P-C4'-P energy: -3.612
tors. eta vs tors. theta energy: -3.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -26.365244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.365244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.365244 (E_RNA)
where:
Base-Base interactions energy: -6.952
where: short stacking energy: -6.952
Base-Backbone interact. energy: 0.579
local terms energy: -19.992446
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.061
flat angles P-C4'-P energy: -3.545
tors. eta vs tors. theta energy: -2.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -29.115758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.115758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.115758 (E_RNA)
where:
Base-Base interactions energy: -11.811
where: short stacking energy: -11.811
Base-Backbone interact. energy: -0.022
local terms energy: -17.283141
where:
bonds (distance) C4'-P energy: -4.427
bonds (distance) P-C4' energy: -2.588
flat angles C4'-P-C4' energy: -4.525
flat angles P-C4'-P energy: -3.795
tors. eta vs tors. theta energy: -1.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -30.071162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.071162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.071162 (E_RNA)
where:
Base-Base interactions energy: -12.293
where: short stacking energy: -12.293
Base-Backbone interact. energy: -0.000
local terms energy: -17.777586
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -3.106
flat angles C4'-P-C4' energy: -4.475
flat angles P-C4'-P energy: -3.555
tors. eta vs tors. theta energy: -2.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -30.572389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.572389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.572389 (E_RNA)
where:
Base-Base interactions energy: -12.458
where: short stacking energy: -12.458
Base-Backbone interact. energy: -0.000
local terms energy: -18.114286
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -2.659
flat angles C4'-P-C4' energy: -4.275
flat angles P-C4'-P energy: -3.093
tors. eta vs tors. theta energy: -3.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -25.563965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.563965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.563965 (E_RNA)
where:
Base-Base interactions energy: -7.954
where: short stacking energy: -7.954
Base-Backbone interact. energy: -0.000
local terms energy: -17.610394
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.044
flat angles P-C4'-P energy: -3.126
tors. eta vs tors. theta energy: -1.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -24.093300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.093300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.093300 (E_RNA)
where:
Base-Base interactions energy: -7.512
where: short stacking energy: -7.512
Base-Backbone interact. energy: -0.003
local terms energy: -16.578586
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -2.107
flat angles P-C4'-P energy: -2.503
tors. eta vs tors. theta energy: -2.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -25.736560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.736560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.736560 (E_RNA)
where:
Base-Base interactions energy: -11.532
where: short stacking energy: -11.532
Base-Backbone interact. energy: -0.011
local terms energy: -14.193180
where:
bonds (distance) C4'-P energy: -0.917
bonds (distance) P-C4' energy: -4.575
flat angles C4'-P-C4' energy: -2.879
flat angles P-C4'-P energy: -3.000
tors. eta vs tors. theta energy: -2.822
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: 380
Temperature: 0.900000
Total energy: -32.332080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.332080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.332080 (E_RNA)
where:
Base-Base interactions energy: -14.143
where: short stacking energy: -13.423
Base-Backbone interact. energy: -0.000
local terms energy: -18.189149
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.600
flat angles C4'-P-C4' energy: -3.675
flat angles P-C4'-P energy: -3.249
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: 2, replica: 6
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -34.525089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.525089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.525089 (E_RNA)
where:
Base-Base interactions energy: -13.835
where: short stacking energy: -13.835
Base-Backbone interact. energy: -0.000
local terms energy: -20.690558
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.177
flat angles C4'-P-C4' energy: -3.953
flat angles P-C4'-P energy: -4.079
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: 3, replica: 9
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -38.161225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.161225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.161225 (E_RNA)
where:
Base-Base interactions energy: -16.731
where: short stacking energy: -16.731
Base-Backbone interact. energy: -0.000
local terms energy: -21.430233
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.820
flat angles P-C4'-P energy: -2.442
tors. eta vs tors. theta energy: -5.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -31.314900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.314900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.314900 (E_RNA)
where:
Base-Base interactions energy: -11.745
where: short stacking energy: -11.745
Base-Backbone interact. energy: -0.000
local terms energy: -19.570309
where:
bonds (distance) C4'-P energy: -3.335
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -4.114
flat angles P-C4'-P energy: -3.558
tors. eta vs tors. theta energy: -3.466
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: 1
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -35.738929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.738929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.738929 (E_RNA)
where:
Base-Base interactions energy: -16.257
where: short stacking energy: -16.257
Base-Backbone interact. energy: -0.000
local terms energy: -19.481786
where:
bonds (distance) C4'-P energy: -2.751
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -3.987
flat angles P-C4'-P energy: -2.596
tors. eta vs tors. theta energy: -5.059
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: 6, replica: 7
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -29.864542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.864542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.864542 (E_RNA)
where:
Base-Base interactions energy: -13.056
where: short stacking energy: -13.056
Base-Backbone interact. energy: -0.000
local terms energy: -16.808559
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -2.682
flat angles P-C4'-P energy: -3.209
tors. eta vs tors. theta energy: -2.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -27.632381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.632381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.632381 (E_RNA)
where:
Base-Base interactions energy: -9.263
where: short stacking energy: -9.263
Base-Backbone interact. energy: -0.000
local terms energy: -18.369670
where:
bonds (distance) C4'-P energy: -3.923
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.668
flat angles P-C4'-P energy: -2.576
tors. eta vs tors. theta energy: -3.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -26.585388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.585388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.585388 (E_RNA)
where:
Base-Base interactions energy: -11.290
where: short stacking energy: -11.290
Base-Backbone interact. energy: -0.187
local terms energy: -15.108806
where:
bonds (distance) C4'-P energy: -3.268
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.405
flat angles P-C4'-P energy: -2.086
tors. eta vs tors. theta energy: -1.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -25.128477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.128477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.128477 (E_RNA)
where:
Base-Base interactions energy: -10.934
where: short stacking energy: -7.959
Base-Backbone interact. energy: -0.010
local terms energy: -14.184723
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.367
flat angles C4'-P-C4' energy: -1.743
flat angles P-C4'-P energy: -2.723
tors. eta vs tors. theta energy: -0.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -25.991592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.991592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.991592 (E_RNA)
where:
Base-Base interactions energy: -9.198
where: short stacking energy: -9.198
Base-Backbone interact. energy: -0.000
local terms energy: -16.793585
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -1.932
flat angles C4'-P-C4' energy: -3.232
flat angles P-C4'-P energy: -2.789
tors. eta vs tors. theta energy: -4.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -32.450070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.450070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.450070 (E_RNA)
where:
Base-Base interactions energy: -12.357
where: short stacking energy: -12.357
Base-Backbone interact. energy: 0.252
local terms energy: -20.345233
where:
bonds (distance) C4'-P energy: -4.055
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -4.394
flat angles P-C4'-P energy: -3.408
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: 2, replica: 6
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -37.871572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.871572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.871572 (E_RNA)
where:
Base-Base interactions energy: -20.271
where: short stacking energy: -10.911
Base-Backbone interact. energy: -0.000
local terms energy: -17.600822
where:
bonds (distance) C4'-P energy: -4.270
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -2.869
flat angles P-C4'-P energy: -3.192
tors. eta vs tors. theta energy: -2.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -28.774292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.774292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.774292 (E_RNA)
where:
Base-Base interactions energy: -11.191
where: short stacking energy: -11.191
Base-Backbone interact. energy: -0.000
local terms energy: -17.582846
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -2.721
flat angles P-C4'-P energy: -3.644
tors. eta vs tors. theta energy: -2.265
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: 1
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -33.391957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.391957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.391957 (E_RNA)
where:
Base-Base interactions energy: -11.612
where: short stacking energy: -11.612
Base-Backbone interact. energy: -0.000
local terms energy: -21.779955
where:
bonds (distance) C4'-P energy: -3.683
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.211
flat angles P-C4'-P energy: -3.721
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: 5, replica: 5
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -26.565176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.565176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.565176 (E_RNA)
where:
Base-Base interactions energy: -12.245
where: short stacking energy: -12.245
Base-Backbone interact. energy: -0.000
local terms energy: -14.320441
where:
bonds (distance) C4'-P energy: -3.194
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.034
flat angles P-C4'-P energy: 0.842
tors. eta vs tors. theta energy: -2.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -30.540565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.540565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.540565 (E_RNA)
where:
Base-Base interactions energy: -12.648
where: short stacking energy: -12.648
Base-Backbone interact. energy: -0.000
local terms energy: -17.892577
where:
bonds (distance) C4'-P energy: -3.745
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -3.453
flat angles P-C4'-P energy: -2.808
tors. eta vs tors. theta energy: -3.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -27.634396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.634396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.634396 (E_RNA)
where:
Base-Base interactions energy: -8.757
where: short stacking energy: -8.757
Base-Backbone interact. energy: -0.000
local terms energy: -18.877360
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -3.849
flat angles P-C4'-P energy: -3.467
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: 8, replica: 10
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -24.411598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.411598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.411598 (E_RNA)
where:
Base-Base interactions energy: -7.436
where: short stacking energy: -7.436
Base-Backbone interact. energy: -0.000
local terms energy: -16.976001
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.152
flat angles C4'-P-C4' energy: -4.143
flat angles P-C4'-P energy: -2.832
tors. eta vs tors. theta energy: -1.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -25.425107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.425107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.425107 (E_RNA)
where:
Base-Base interactions energy: -12.640
where: short stacking energy: -12.640
Base-Backbone interact. energy: -0.004
local terms energy: -12.781412
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -2.927
flat angles P-C4'-P energy: 0.238
tors. eta vs tors. theta energy: -0.688
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: 3
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -23.559140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.559140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.559140 (E_RNA)
where:
Base-Base interactions energy: -10.374
where: short stacking energy: -10.374
Base-Backbone interact. energy: -0.000
local terms energy: -13.184783
where:
bonds (distance) C4'-P energy: -1.613
bonds (distance) P-C4' energy: -3.748
flat angles C4'-P-C4' energy: -4.290
flat angles P-C4'-P energy: -2.136
tors. eta vs tors. theta energy: -1.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -38.522311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.522311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.522311 (E_RNA)
where:
Base-Base interactions energy: -17.247
where: short stacking energy: -17.247
Base-Backbone interact. energy: -0.000
local terms energy: -21.275201
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -3.852
flat angles C4'-P-C4' energy: -4.909
flat angles P-C4'-P energy: -2.545
tors. eta vs tors. theta energy: -5.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -36.473696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.473696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.473696 (E_RNA)
where:
Base-Base interactions energy: -15.347
where: short stacking energy: -15.347
Base-Backbone interact. energy: -0.000
local terms energy: -21.126674
where:
bonds (distance) C4'-P energy: -3.372
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -4.325
flat angles P-C4'-P energy: -3.998
tors. eta vs tors. theta energy: -4.597
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: 9
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -31.312121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.312121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.312121 (E_RNA)
where:
Base-Base interactions energy: -14.308
where: short stacking energy: -14.308
Base-Backbone interact. energy: -0.000
local terms energy: -17.004079
where:
bonds (distance) C4'-P energy: -1.766
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.097
flat angles P-C4'-P energy: -2.668
tors. eta vs tors. theta energy: -3.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -32.648955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.648955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.648955 (E_RNA)
where:
Base-Base interactions energy: -19.859
where: short stacking energy: -13.714
Base-Backbone interact. energy: -0.003
local terms energy: -12.786714
where:
bonds (distance) C4'-P energy: -2.299
bonds (distance) P-C4' energy: -3.110
flat angles C4'-P-C4' energy: -3.132
flat angles P-C4'-P energy: -2.710
tors. eta vs tors. theta energy: -1.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -30.047179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.047179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.047179 (E_RNA)
where:
Base-Base interactions energy: -13.770
where: short stacking energy: -13.770
Base-Backbone interact. energy: -0.000
local terms energy: -16.277299
where:
bonds (distance) C4'-P energy: -1.472
bonds (distance) P-C4' energy: -4.406
flat angles C4'-P-C4' energy: -3.908
flat angles P-C4'-P energy: -2.882
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: 6, replica: 5
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -26.044200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.044200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.044200 (E_RNA)
where:
Base-Base interactions energy: -8.717
where: short stacking energy: -8.717
Base-Backbone interact. energy: -0.000
local terms energy: -17.326335
where:
bonds (distance) C4'-P energy: -2.975
bonds (distance) P-C4' energy: -3.944
flat angles C4'-P-C4' energy: -3.801
flat angles P-C4'-P energy: -3.337
tors. eta vs tors. theta energy: -3.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -32.203549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.203549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.203549 (E_RNA)
where:
Base-Base interactions energy: -11.491
where: short stacking energy: -11.491
Base-Backbone interact. energy: -0.000
local terms energy: -20.712095
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -4.712
flat angles P-C4'-P energy: -1.398
tors. eta vs tors. theta energy: -4.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -25.143892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.143892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.143892 (E_RNA)
where:
Base-Base interactions energy: -12.592
where: short stacking energy: -4.423
Base-Backbone interact. energy: -0.003
local terms energy: -12.549025
where:
bonds (distance) C4'-P energy: -2.564
bonds (distance) P-C4' energy: -3.380
flat angles C4'-P-C4' energy: -3.539
flat angles P-C4'-P energy: -2.555
tors. eta vs tors. theta energy: -0.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -23.719812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.719812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.719812 (E_RNA)
where:
Base-Base interactions energy: -10.889
where: short stacking energy: -5.007
Base-Backbone interact. energy: -0.001
local terms energy: -12.829868
where:
bonds (distance) C4'-P energy: -4.643
bonds (distance) P-C4' energy: -4.413
flat angles C4'-P-C4' energy: -4.290
flat angles P-C4'-P energy: -0.852
tors. eta vs tors. theta energy: 1.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -30.923962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.923962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.923962 (E_RNA)
where:
Base-Base interactions energy: -14.144
where: short stacking energy: -12.489
Base-Backbone interact. energy: -0.000
local terms energy: -16.780172
where:
bonds (distance) C4'-P energy: -3.575
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.451
flat angles P-C4'-P energy: -2.639
tors. eta vs tors. theta energy: -1.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -38.967704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.967704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.967704 (E_RNA)
where:
Base-Base interactions energy: -16.270
where: short stacking energy: -16.270
Base-Backbone interact. energy: -0.000
local terms energy: -22.697682
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.471
flat angles P-C4'-P energy: -3.319
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: 2, replica: 9
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -38.210376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.210376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.210376 (E_RNA)
where:
Base-Base interactions energy: -16.650
where: short stacking energy: -16.650
Base-Backbone interact. energy: -0.000
local terms energy: -21.560571
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.122
flat angles P-C4'-P energy: -3.186
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: 3, replica: 6
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -36.131502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.131502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.131502 (E_RNA)
where:
Base-Base interactions energy: -14.255
where: short stacking energy: -14.255
Base-Backbone interact. energy: -0.000
local terms energy: -21.876809
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -3.557
flat angles P-C4'-P energy: -3.727
tors. eta vs tors. theta energy: -5.242
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: 2
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -39.208682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.208682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.208682 (E_RNA)
where:
Base-Base interactions energy: -17.675
where: short stacking energy: -17.675
Base-Backbone interact. energy: -0.000
local terms energy: -21.533655
where:
bonds (distance) C4'-P energy: -3.397
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.138
flat angles P-C4'-P energy: -3.753
tors. eta vs tors. theta energy: -4.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -29.462692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.462692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.462692 (E_RNA)
where:
Base-Base interactions energy: -8.815
where: short stacking energy: -8.815
Base-Backbone interact. energy: -0.000
local terms energy: -20.647265
where:
bonds (distance) C4'-P energy: -3.128
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.544
flat angles P-C4'-P energy: -3.516
tors. eta vs tors. theta energy: -4.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -26.279792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.279792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.279792 (E_RNA)
where:
Base-Base interactions energy: -13.307
where: short stacking energy: -9.357
Base-Backbone interact. energy: -0.008
local terms energy: -12.964671
where:
bonds (distance) C4'-P energy: -2.605
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -2.726
flat angles P-C4'-P energy: -3.284
tors. eta vs tors. theta energy: 1.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -25.265157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.265157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.265157 (E_RNA)
where:
Base-Base interactions energy: -10.132
where: short stacking energy: -10.132
Base-Backbone interact. energy: -0.028
local terms energy: -15.105028
where:
bonds (distance) C4'-P energy: -3.194
bonds (distance) P-C4' energy: -3.128
flat angles C4'-P-C4' energy: -3.583
flat angles P-C4'-P energy: -2.703
tors. eta vs tors. theta energy: -2.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -26.998706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.998706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.998706 (E_RNA)
where:
Base-Base interactions energy: -10.533
where: short stacking energy: -10.533
Base-Backbone interact. energy: -0.000
local terms energy: -16.465922
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.319
flat angles P-C4'-P energy: -2.815
tors. eta vs tors. theta energy: -1.013
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: 7
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -21.371058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.371058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.371058 (E_RNA)
where:
Base-Base interactions energy: -8.647
where: short stacking energy: -8.647
Base-Backbone interact. energy: -0.038
local terms energy: -12.685855
where:
bonds (distance) C4'-P energy: -3.645
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.549
flat angles P-C4'-P energy: -1.887
tors. eta vs tors. theta energy: 1.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -22.786193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.786193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.786193 (E_RNA)
where:
Base-Base interactions energy: -7.937
where: short stacking energy: -7.937
Base-Backbone interact. energy: -0.006
local terms energy: -14.842632
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -4.311
flat angles C4'-P-C4' energy: -3.416
flat angles P-C4'-P energy: -3.419
tors. eta vs tors. theta energy: -0.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -36.844400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.844400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.844400 (E_RNA)
where:
Base-Base interactions energy: -18.148
where: short stacking energy: -18.148
Base-Backbone interact. energy: -0.000
local terms energy: -18.696685
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -3.748
flat angles C4'-P-C4' energy: -4.523
flat angles P-C4'-P energy: -3.377
tors. eta vs tors. theta energy: -2.531
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: 2, replica: 8
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -35.909561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.909561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.909561 (E_RNA)
where:
Base-Base interactions energy: -17.522
where: short stacking energy: -17.522
Base-Backbone interact. energy: -0.000
local terms energy: -18.387093
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -3.631
flat angles C4'-P-C4' energy: -4.448
flat angles P-C4'-P energy: -2.937
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: 3, replica: 2
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -36.955250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.955250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.955250 (E_RNA)
where:
Base-Base interactions energy: -15.106
where: short stacking energy: -15.106
Base-Backbone interact. energy: -0.000
local terms energy: -21.848975
where:
bonds (distance) C4'-P energy: -4.303
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -3.722
flat angles P-C4'-P energy: -3.900
tors. eta vs tors. theta energy: -5.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -34.496150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.496150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.496150 (E_RNA)
where:
Base-Base interactions energy: -12.542
where: short stacking energy: -12.542
Base-Backbone interact. energy: -0.000
local terms energy: -21.953803
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.924
flat angles P-C4'-P energy: -2.862
tors. eta vs tors. theta energy: -4.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -26.306603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.306603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.306603 (E_RNA)
where:
Base-Base interactions energy: -7.998
where: short stacking energy: -7.998
Base-Backbone interact. energy: -0.000
local terms energy: -18.308122
where:
bonds (distance) C4'-P energy: -3.629
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.275
flat angles P-C4'-P energy: -2.495
tors. eta vs tors. theta energy: -2.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -32.454714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.454714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.454714 (E_RNA)
where:
Base-Base interactions energy: -13.104
where: short stacking energy: -13.104
Base-Backbone interact. energy: -0.000
local terms energy: -19.350621
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -3.981
flat angles C4'-P-C4' energy: -4.426
flat angles P-C4'-P energy: -3.094
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: 7, replica: 3
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -29.651376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.651376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.651376 (E_RNA)
where:
Base-Base interactions energy: -13.921
where: short stacking energy: -13.921
Base-Backbone interact. energy: -0.000
local terms energy: -15.730581
where:
bonds (distance) C4'-P energy: -3.372
bonds (distance) P-C4' energy: -4.106
flat angles C4'-P-C4' energy: -4.221
flat angles P-C4'-P energy: -1.791
tors. eta vs tors. theta energy: -2.240
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: 5
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -23.384687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.384687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.384687 (E_RNA)
where:
Base-Base interactions energy: -10.222
where: short stacking energy: -10.222
Base-Backbone interact. energy: -0.000
local terms energy: -13.162708
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -3.631
flat angles C4'-P-C4' energy: -0.569
flat angles P-C4'-P energy: 0.014
tors. eta vs tors. theta energy: -4.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -25.272301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.272301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.272301 (E_RNA)
where:
Base-Base interactions energy: -9.707
where: short stacking energy: -9.707
Base-Backbone interact. energy: -0.000
local terms energy: -15.564899
where:
bonds (distance) C4'-P energy: -2.970
bonds (distance) P-C4' energy: -3.529
flat angles C4'-P-C4' energy: -3.464
flat angles P-C4'-P energy: -3.137
tors. eta vs tors. theta energy: -2.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -24.636238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.636238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.636238 (E_RNA)
where:
Base-Base interactions energy: -8.499
where: short stacking energy: -8.499
Base-Backbone interact. energy: -0.000
local terms energy: -16.137435
where:
bonds (distance) C4'-P energy: -3.923
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.376
flat angles P-C4'-P energy: -3.040
tors. eta vs tors. theta energy: -0.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -35.995146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.995146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.995146 (E_RNA)
where:
Base-Base interactions energy: -16.362
where: short stacking energy: -16.362
Base-Backbone interact. energy: -0.000
local terms energy: -19.632857
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.558
flat angles P-C4'-P energy: -2.088
tors. eta vs tors. theta energy: -3.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -33.607032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.607032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.607032 (E_RNA)
where:
Base-Base interactions energy: -14.513
where: short stacking energy: -9.162
Base-Backbone interact. energy: -0.000
local terms energy: -19.094204
where:
bonds (distance) C4'-P energy: -4.535
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -4.614
flat angles P-C4'-P energy: -3.090
tors. eta vs tors. theta energy: -1.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -35.249087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.249087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.249087 (E_RNA)
where:
Base-Base interactions energy: -13.101
where: short stacking energy: -13.101
Base-Backbone interact. energy: -0.000
local terms energy: -22.148191
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -4.490
flat angles P-C4'-P energy: -3.417
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: 4, replica: 10
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -32.264547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.264547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.264547 (E_RNA)
where:
Base-Base interactions energy: -13.144
where: short stacking energy: -13.144
Base-Backbone interact. energy: -0.000
local terms energy: -19.120263
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -2.403
flat angles P-C4'-P energy: -3.594
tors. eta vs tors. theta energy: -4.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -34.269396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.269396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.269396 (E_RNA)
where:
Base-Base interactions energy: -14.147
where: short stacking energy: -14.147
Base-Backbone interact. energy: -0.000
local terms energy: -20.122178
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -3.904
flat angles P-C4'-P energy: -3.663
tors. eta vs tors. theta energy: -3.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -27.468366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.468366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.468366 (E_RNA)
where:
Base-Base interactions energy: -10.969
where: short stacking energy: -10.969
Base-Backbone interact. energy: -0.000
local terms energy: -16.498963
where:
bonds (distance) C4'-P energy: -3.247
bonds (distance) P-C4' energy: -4.417
flat angles C4'-P-C4' energy: -3.805
flat angles P-C4'-P energy: -2.346
tors. eta vs tors. theta energy: -2.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -27.442678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.442678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.442678 (E_RNA)
where:
Base-Base interactions energy: -9.332
where: short stacking energy: -9.332
Base-Backbone interact. energy: -0.000
local terms energy: -18.110719
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.506
flat angles P-C4'-P energy: -1.913
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: 8, replica: 4
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -25.029398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.029398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.029398 (E_RNA)
where:
Base-Base interactions energy: -10.416
where: short stacking energy: -10.416
Base-Backbone interact. energy: -0.000
local terms energy: -14.613145
where:
bonds (distance) C4'-P energy: -2.573
bonds (distance) P-C4' energy: -3.790
flat angles C4'-P-C4' energy: -4.105
flat angles P-C4'-P energy: -0.793
tors. eta vs tors. theta energy: -3.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -26.595694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.595694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.595694 (E_RNA)
where:
Base-Base interactions energy: -11.899
where: short stacking energy: -7.803
Base-Backbone interact. energy: -0.100
local terms energy: -14.597001
where:
bonds (distance) C4'-P energy: -2.518
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -3.255
flat angles P-C4'-P energy: -3.254
tors. eta vs tors. theta energy: -0.706
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: 10, replica: 7
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -22.630306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.630306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.630306 (E_RNA)
where:
Base-Base interactions energy: -6.881
where: short stacking energy: -6.881
Base-Backbone interact. energy: -0.000
local terms energy: -15.749146
where:
bonds (distance) C4'-P energy: -3.309
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -4.648
flat angles P-C4'-P energy: 1.194
tors. eta vs tors. theta energy: -4.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -36.801126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.801126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.801126 (E_RNA)
where:
Base-Base interactions energy: -16.885
where: short stacking energy: -16.885
Base-Backbone interact. energy: -0.000
local terms energy: -19.916390
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.100
flat angles P-C4'-P energy: -1.457
tors. eta vs tors. theta energy: -4.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -33.735844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.735844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.735844 (E_RNA)
where:
Base-Base interactions energy: -12.959
where: short stacking energy: -12.959
Base-Backbone interact. energy: -0.000
local terms energy: -20.776566
where:
bonds (distance) C4'-P energy: -4.233
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.396
flat angles P-C4'-P energy: -2.874
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: 3, replica: 10
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -31.417325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.417325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.417325 (E_RNA)
where:
Base-Base interactions energy: -13.700
where: short stacking energy: -13.700
Base-Backbone interact. energy: -0.000
local terms energy: -17.717752
where:
bonds (distance) C4'-P energy: -2.900
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.042
flat angles P-C4'-P energy: -1.661
tors. eta vs tors. theta energy: -4.680
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: 2
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -32.889366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.889366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.889366 (E_RNA)
where:
Base-Base interactions energy: -16.263
where: short stacking energy: -16.263
Base-Backbone interact. energy: -0.000
local terms energy: -16.626489
where:
bonds (distance) C4'-P energy: -2.788
bonds (distance) P-C4' energy: -3.984
flat angles C4'-P-C4' energy: -3.832
flat angles P-C4'-P energy: -1.055
tors. eta vs tors. theta energy: -4.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -36.510705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.510705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.510705 (E_RNA)
where:
Base-Base interactions energy: -15.757
where: short stacking energy: -15.757
Base-Backbone interact. energy: -0.000
local terms energy: -20.754116
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -4.177
flat angles C4'-P-C4' energy: -4.395
flat angles P-C4'-P energy: -2.867
tors. eta vs tors. theta energy: -5.268
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: 6
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -32.076425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.076425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.076425 (E_RNA)
where:
Base-Base interactions energy: -13.648
where: short stacking energy: -13.648
Base-Backbone interact. energy: -0.000
local terms energy: -18.427945
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -4.674
flat angles C4'-P-C4' energy: -2.849
flat angles P-C4'-P energy: -2.916
tors. eta vs tors. theta energy: -3.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -30.228693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.228693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.228693 (E_RNA)
where:
Base-Base interactions energy: -11.054
where: short stacking energy: -11.054
Base-Backbone interact. energy: -0.000
local terms energy: -19.175138
where:
bonds (distance) C4'-P energy: -4.154
bonds (distance) P-C4' energy: -4.106
flat angles C4'-P-C4' energy: -4.136
flat angles P-C4'-P energy: -3.079
tors. eta vs tors. theta energy: -3.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -30.109381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.109381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.109381 (E_RNA)
where:
Base-Base interactions energy: -14.413
where: short stacking energy: -14.413
Base-Backbone interact. energy: -0.000
local terms energy: -15.695961
where:
bonds (distance) C4'-P energy: -1.054
bonds (distance) P-C4' energy: -2.352
flat angles C4'-P-C4' energy: -3.631
flat angles P-C4'-P energy: -3.673
tors. eta vs tors. theta energy: -4.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -24.464930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.464930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.464930 (E_RNA)
where:
Base-Base interactions energy: -10.018
where: short stacking energy: -8.411
Base-Backbone interact. energy: -0.000
local terms energy: -14.446507
where:
bonds (distance) C4'-P energy: -2.423
bonds (distance) P-C4' energy: -3.984
flat angles C4'-P-C4' energy: 0.305
flat angles P-C4'-P energy: -3.732
tors. eta vs tors. theta energy: -4.612
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: 5
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -27.331784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.331784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.331784 (E_RNA)
where:
Base-Base interactions energy: -10.700
where: short stacking energy: -10.700
Base-Backbone interact. energy: -0.002
local terms energy: -16.630006
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -4.575
flat angles C4'-P-C4' energy: -4.500
flat angles P-C4'-P energy: -2.101
tors. eta vs tors. theta energy: -1.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -39.735831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.735831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.735831 (E_RNA)
where:
Base-Base interactions energy: -17.344
where: short stacking energy: -17.344
Base-Backbone interact. energy: -0.000
local terms energy: -22.391574
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -5.361
flat angles C4'-P-C4' energy: -3.940
flat angles P-C4'-P energy: -3.716
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: 2, replica: 10
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -33.740245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.740245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.740245 (E_RNA)
where:
Base-Base interactions energy: -13.801
where: short stacking energy: -13.801
Base-Backbone interact. energy: -0.000
local terms energy: -19.938810
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.468
flat angles P-C4'-P energy: -3.241
tors. eta vs tors. theta energy: -3.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -34.258563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.258563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.258563 (E_RNA)
where:
Base-Base interactions energy: -13.357
where: short stacking energy: -13.357
Base-Backbone interact. energy: -0.000
local terms energy: -20.901308
where:
bonds (distance) C4'-P energy: -3.781
bonds (distance) P-C4' energy: -4.674
flat angles C4'-P-C4' energy: -4.628
flat angles P-C4'-P energy: -3.523
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: 4, replica: 3
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -27.389627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.389627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.389627 (E_RNA)
where:
Base-Base interactions energy: -9.204
where: short stacking energy: -9.204
Base-Backbone interact. energy: -0.000
local terms energy: -18.185695
where:
bonds (distance) C4'-P energy: -3.363
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.256
flat angles P-C4'-P energy: -1.747
tors. eta vs tors. theta energy: -3.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -33.169907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.169907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.169907 (E_RNA)
where:
Base-Base interactions energy: -18.040
where: short stacking energy: -10.319
Base-Backbone interact. energy: -0.004
local terms energy: -15.126016
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.391
flat angles P-C4'-P energy: -1.529
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: 6, replica: 4
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -27.877016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.877016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.877016 (E_RNA)
where:
Base-Base interactions energy: -11.997
where: short stacking energy: -11.997
Base-Backbone interact. energy: -0.002
local terms energy: -15.878552
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.047
flat angles C4'-P-C4' energy: -3.398
flat angles P-C4'-P energy: -2.332
tors. eta vs tors. theta energy: -1.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -25.829474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.829474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.829474 (E_RNA)
where:
Base-Base interactions energy: -10.620
where: short stacking energy: -9.871
Base-Backbone interact. energy: -0.029
local terms energy: -15.180514
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -3.987
flat angles C4'-P-C4' energy: -2.899
flat angles P-C4'-P energy: -1.870
tors. eta vs tors. theta energy: -2.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -30.203982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.203982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.203982 (E_RNA)
where:
Base-Base interactions energy: -13.529
where: short stacking energy: -13.529
Base-Backbone interact. energy: -0.001
local terms energy: -16.673424
where:
bonds (distance) C4'-P energy: -1.835
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.280
flat angles P-C4'-P energy: -2.637
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: 1
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -32.099812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.099812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.099812 (E_RNA)
where:
Base-Base interactions energy: -15.357
where: short stacking energy: -15.357
Base-Backbone interact. energy: -0.000
local terms energy: -16.742677
where:
bonds (distance) C4'-P energy: -2.846
bonds (distance) P-C4' energy: -2.870
flat angles C4'-P-C4' energy: -3.752
flat angles P-C4'-P energy: -3.588
tors. eta vs tors. theta energy: -3.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -25.926300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.926300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.926300 (E_RNA)
where:
Base-Base interactions energy: -11.909
where: short stacking energy: -11.909
Base-Backbone interact. energy: -0.000
local terms energy: -14.017199
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -3.409
flat angles P-C4'-P energy: 0.068
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: 388
Temperature: 0.900000
Total energy: -34.157797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.157797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.157797 (E_RNA)
where:
Base-Base interactions energy: -17.074
where: short stacking energy: -8.884
Base-Backbone interact. energy: -0.004
local terms energy: -17.079179
where:
bonds (distance) C4'-P energy: -4.038
bonds (distance) P-C4' energy: -3.849
flat angles C4'-P-C4' energy: -3.640
flat angles P-C4'-P energy: -4.033
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: 2, replica: 8
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -33.125355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.125355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.125355 (E_RNA)
where:
Base-Base interactions energy: -13.126
where: short stacking energy: -13.126
Base-Backbone interact. energy: -0.000
local terms energy: -19.998863
where:
bonds (distance) C4'-P energy: -3.708
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.417
flat angles P-C4'-P energy: -3.081
tors. eta vs tors. theta energy: -3.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -27.507243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.507243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.507243 (E_RNA)
where:
Base-Base interactions energy: -11.728
where: short stacking energy: -11.728
Base-Backbone interact. energy: -0.000
local terms energy: -15.779067
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -3.137
flat angles P-C4'-P energy: -3.050
tors. eta vs tors. theta energy: -1.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -30.574338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.574338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.574338 (E_RNA)
where:
Base-Base interactions energy: -11.620
where: short stacking energy: -11.620
Base-Backbone interact. energy: -0.000
local terms energy: -18.954277
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -4.047
flat angles C4'-P-C4' energy: -3.819
flat angles P-C4'-P energy: -2.347
tors. eta vs tors. theta energy: -4.623
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: 4
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -29.132890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.132890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.132890 (E_RNA)
where:
Base-Base interactions energy: -12.754
where: short stacking energy: -12.754
Base-Backbone interact. energy: -0.000
local terms energy: -16.378560
where:
bonds (distance) C4'-P energy: -2.812
bonds (distance) P-C4' energy: -4.051
flat angles C4'-P-C4' energy: -2.370
flat angles P-C4'-P energy: -1.957
tors. eta vs tors. theta energy: -5.188
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: 388
Temperature: 1.150000
Total energy: -33.516026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.516026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.516026 (E_RNA)
where:
Base-Base interactions energy: -15.556
where: short stacking energy: -15.556
Base-Backbone interact. energy: -0.000
local terms energy: -17.960319
where:
bonds (distance) C4'-P energy: -3.479
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -2.888
flat angles P-C4'-P energy: -1.641
tors. eta vs tors. theta energy: -4.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -27.964403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.964403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.964403 (E_RNA)
where:
Base-Base interactions energy: -12.654
where: short stacking energy: -12.654
Base-Backbone interact. energy: 1.912
local terms energy: -17.223100
where:
bonds (distance) C4'-P energy: -3.012
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -3.352
flat angles P-C4'-P energy: -2.543
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: 8, replica: 6
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -26.749930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.749930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.749930 (E_RNA)
where:
Base-Base interactions energy: -8.497
where: short stacking energy: -8.497
Base-Backbone interact. energy: -0.024
local terms energy: -18.229299
where:
bonds (distance) C4'-P energy: -4.419
bonds (distance) P-C4' energy: -3.134
flat angles C4'-P-C4' energy: -4.044
flat angles P-C4'-P energy: -3.862
tors. eta vs tors. theta energy: -2.770
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: 5
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -26.008494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.008494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.008494 (E_RNA)
where:
Base-Base interactions energy: -9.019
where: short stacking energy: -9.019
Base-Backbone interact. energy: -0.000
local terms energy: -16.989290
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -5.361
flat angles C4'-P-C4' energy: -3.054
flat angles P-C4'-P energy: -1.758
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: 10, replica: 1
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -30.471634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.471634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.471634 (E_RNA)
where:
Base-Base interactions energy: -11.691
where: short stacking energy: -11.691
Base-Backbone interact. energy: -0.000
local terms energy: -18.780890
where:
bonds (distance) C4'-P energy: -3.541
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -3.956
flat angles P-C4'-P energy: -3.769
tors. eta vs tors. theta energy: -3.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -32.012537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.012537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.012537 (E_RNA)
where:
Base-Base interactions energy: -11.833
where: short stacking energy: -11.833
Base-Backbone interact. energy: -0.000
local terms energy: -20.179373
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.349
flat angles P-C4'-P energy: -2.687
tors. eta vs tors. theta energy: -3.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -30.512091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.512091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.512091 (E_RNA)
where:
Base-Base interactions energy: -12.668
where: short stacking energy: -12.668
Base-Backbone interact. energy: -0.000
local terms energy: -17.844326
where:
bonds (distance) C4'-P energy: -3.372
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.908
flat angles P-C4'-P energy: -3.426
tors. eta vs tors. theta energy: -1.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -36.704720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.704720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.704720 (E_RNA)
where:
Base-Base interactions energy: -17.149
where: short stacking energy: -17.149
Base-Backbone interact. energy: -0.000
local terms energy: -19.555798
where:
bonds (distance) C4'-P energy: -3.045
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.801
flat angles P-C4'-P energy: -2.776
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: 4, replica: 4
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -30.167556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.167556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.167556 (E_RNA)
where:
Base-Base interactions energy: -13.109
where: short stacking energy: -13.109
Base-Backbone interact. energy: -0.000
local terms energy: -17.058651
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -2.354
flat angles C4'-P-C4' energy: -4.820
flat angles P-C4'-P energy: -2.371
tors. eta vs tors. theta energy: -3.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -34.966798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.966798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.966798 (E_RNA)
where:
Base-Base interactions energy: -13.252
where: short stacking energy: -13.252
Base-Backbone interact. energy: -0.000
local terms energy: -21.715204
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.114
flat angles P-C4'-P energy: -3.765
tors. eta vs tors. theta energy: -4.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -33.105756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.105756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.105756 (E_RNA)
where:
Base-Base interactions energy: -16.986
where: short stacking energy: -16.986
Base-Backbone interact. energy: -0.000
local terms energy: -16.119658
where:
bonds (distance) C4'-P energy: -1.845
bonds (distance) P-C4' energy: -3.984
flat angles C4'-P-C4' energy: -3.928
flat angles P-C4'-P energy: -2.082
tors. eta vs tors. theta energy: -4.281
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: 7, replica: 2
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -26.918431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.918431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.918431 (E_RNA)
where:
Base-Base interactions energy: -8.742
where: short stacking energy: -8.742
Base-Backbone interact. energy: -0.000
local terms energy: -18.176707
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -5.361
flat angles C4'-P-C4' energy: -2.989
flat angles P-C4'-P energy: -3.261
tors. eta vs tors. theta energy: -2.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -25.694068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.694068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.694068 (E_RNA)
where:
Base-Base interactions energy: -7.820
where: short stacking energy: -7.820
Base-Backbone interact. energy: 0.078
local terms energy: -17.951978
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.330
flat angles P-C4'-P energy: -2.868
tors. eta vs tors. theta energy: -1.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -23.016441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.016441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.016441 (E_RNA)
where:
Base-Base interactions energy: -8.089
where: short stacking energy: -8.089
Base-Backbone interact. energy: -0.000
local terms energy: -14.927456
where:
bonds (distance) C4'-P energy: -3.708
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -2.798
flat angles P-C4'-P energy: -2.713
tors. eta vs tors. theta energy: -1.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -27.770323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.770323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.770323 (E_RNA)
where:
Base-Base interactions energy: -14.112
where: short stacking energy: -14.112
Base-Backbone interact. energy: -0.001
local terms energy: -13.657757
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -3.301
flat angles C4'-P-C4' energy: -3.534
flat angles P-C4'-P energy: -1.418
tors. eta vs tors. theta energy: -1.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -36.805221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.805221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.805221 (E_RNA)
where:
Base-Base interactions energy: -17.265
where: short stacking energy: -17.265
Base-Backbone interact. energy: -0.000
local terms energy: -19.540017
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.604
flat angles P-C4'-P energy: -1.962
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: 2, replica: 10
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -38.234394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.234394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.234394 (E_RNA)
where:
Base-Base interactions energy: -17.394
where: short stacking energy: -17.394
Base-Backbone interact. energy: -0.000
local terms energy: -20.840771
where:
bonds (distance) C4'-P energy: -2.680
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.045
flat angles P-C4'-P energy: -3.957
tors. eta vs tors. theta energy: -5.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -34.239835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.239835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.239835 (E_RNA)
where:
Base-Base interactions energy: -12.898
where: short stacking energy: -12.898
Base-Backbone interact. energy: -0.000
local terms energy: -21.341876
where:
bonds (distance) C4'-P energy: -3.773
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -3.701
flat angles P-C4'-P energy: -3.338
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: 4, replica: 4
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -33.215112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.215112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.215112 (E_RNA)
where:
Base-Base interactions energy: -14.855
where: short stacking energy: -14.855
Base-Backbone interact. energy: -0.000
local terms energy: -18.360455
where:
bonds (distance) C4'-P energy: -3.053
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.571
flat angles P-C4'-P energy: -2.462
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: 5, replica: 7
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -29.143978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.143978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.143978 (E_RNA)
where:
Base-Base interactions energy: -12.822
where: short stacking energy: -12.822
Base-Backbone interact. energy: -0.000
local terms energy: -16.322233
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -1.640
flat angles P-C4'-P energy: -3.376
tors. eta vs tors. theta energy: -1.963
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: 9
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -30.136801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.136801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.136801 (E_RNA)
where:
Base-Base interactions energy: -13.901
where: short stacking energy: -13.901
Base-Backbone interact. energy: -0.004
local terms energy: -16.231435
where:
bonds (distance) C4'-P energy: -3.799
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.248
flat angles P-C4'-P energy: -2.918
tors. eta vs tors. theta energy: -1.152
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: 5
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -27.892176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.892176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.892176 (E_RNA)
where:
Base-Base interactions energy: -12.625
where: short stacking energy: -12.625
Base-Backbone interact. energy: -0.000
local terms energy: -15.266761
where:
bonds (distance) C4'-P energy: -1.977
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.161
flat angles P-C4'-P energy: -1.846
tors. eta vs tors. theta energy: -2.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -31.477059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.477059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.477059 (E_RNA)
where:
Base-Base interactions energy: -15.164
where: short stacking energy: -15.164
Base-Backbone interact. energy: -0.000
local terms energy: -16.313483
where:
bonds (distance) C4'-P energy: -1.430
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -3.416
flat angles P-C4'-P energy: -1.840
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: 9, replica: 6
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -27.602486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.602486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.602486 (E_RNA)
where:
Base-Base interactions energy: -10.795
where: short stacking energy: -10.795
Base-Backbone interact. energy: -0.027
local terms energy: -16.780353
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -4.051
flat angles C4'-P-C4' energy: -2.847
flat angles P-C4'-P energy: -3.338
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: 1
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -25.311930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.311930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.311930 (E_RNA)
where:
Base-Base interactions energy: -13.449
where: short stacking energy: -4.369
Base-Backbone interact. energy: -0.006
local terms energy: -11.857472
where:
bonds (distance) C4'-P energy: -3.575
bonds (distance) P-C4' energy: -3.818
flat angles C4'-P-C4' energy: -3.518
flat angles P-C4'-P energy: -0.877
tors. eta vs tors. theta energy: -0.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -39.005107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.005107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.005107 (E_RNA)
where:
Base-Base interactions energy: -17.841
where: short stacking energy: -17.841
Base-Backbone interact. energy: -0.000
local terms energy: -21.163909
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.780
flat angles P-C4'-P energy: -1.884
tors. eta vs tors. theta energy: -5.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -35.369986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.369986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.369986 (E_RNA)
where:
Base-Base interactions energy: -14.423
where: short stacking energy: -14.423
Base-Backbone interact. energy: -0.000
local terms energy: -20.947362
where:
bonds (distance) C4'-P energy: -4.233
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.702
flat angles P-C4'-P energy: -3.156
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: 3, replica: 10
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -33.820517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.820517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.820517 (E_RNA)
where:
Base-Base interactions energy: -13.113
where: short stacking energy: -13.113
Base-Backbone interact. energy: -0.000
local terms energy: -20.707031
where:
bonds (distance) C4'-P energy: -3.479
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -3.956
flat angles P-C4'-P energy: -2.932
tors. eta vs tors. theta energy: -5.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -30.101893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.101893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.101893 (E_RNA)
where:
Base-Base interactions energy: -12.758
where: short stacking energy: -12.758
Base-Backbone interact. energy: -0.000
local terms energy: -17.344260
where:
bonds (distance) C4'-P energy: -3.161
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.994
flat angles P-C4'-P energy: -3.454
tors. eta vs tors. theta energy: -1.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -33.322114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.322114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.322114 (E_RNA)
where:
Base-Base interactions energy: -16.639
where: short stacking energy: -16.639
Base-Backbone interact. energy: -0.000
local terms energy: -16.683007
where:
bonds (distance) C4'-P energy: -1.766
bonds (distance) P-C4' energy: -3.969
flat angles C4'-P-C4' energy: -4.169
flat angles P-C4'-P energy: -3.211
tors. eta vs tors. theta energy: -3.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -25.418772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.418772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.418772 (E_RNA)
where:
Base-Base interactions energy: -10.803
where: short stacking energy: -10.803
Base-Backbone interact. energy: -0.000
local terms energy: -14.615677
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -1.882
flat angles P-C4'-P energy: -2.173
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: 7, replica: 9
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -27.526062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.526062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.526062 (E_RNA)
where:
Base-Base interactions energy: -10.904
where: short stacking energy: -10.904
Base-Backbone interact. energy: -0.001
local terms energy: -16.621608
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.088
flat angles P-C4'-P energy: -1.752
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: 8, replica: 6
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -28.825621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.825621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.825621 (E_RNA)
where:
Base-Base interactions energy: -16.246
where: short stacking energy: -7.293
Base-Backbone interact. energy: -0.013
local terms energy: -12.566762
where:
bonds (distance) C4'-P energy: -3.699
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -3.885
flat angles P-C4'-P energy: -1.535
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: 9, replica: 2
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -30.500735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.500735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.500735 (E_RNA)
where:
Base-Base interactions energy: -11.449
where: short stacking energy: -11.449
Base-Backbone interact. energy: -0.000
local terms energy: -19.052082
where:
bonds (distance) C4'-P energy: -3.716
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.008
flat angles P-C4'-P energy: -2.550
tors. eta vs tors. theta energy: -3.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -27.581208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.581208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.581208 (E_RNA)
where:
Base-Base interactions energy: -9.074
where: short stacking energy: -9.074
Base-Backbone interact. energy: -0.000
local terms energy: -18.507057
where:
bonds (distance) C4'-P energy: -3.268
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.611
flat angles P-C4'-P energy: -2.237
tors. eta vs tors. theta energy: -3.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -35.771837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.771837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.771837 (E_RNA)
where:
Base-Base interactions energy: -14.026
where: short stacking energy: -14.026
Base-Backbone interact. energy: -0.000
local terms energy: -21.746247
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.589
flat angles P-C4'-P energy: -4.021
tors. eta vs tors. theta energy: -3.981
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: 2, replica: 3
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -37.938028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.938028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.938028 (E_RNA)
where:
Base-Base interactions energy: -17.150
where: short stacking energy: -17.150
Base-Backbone interact. energy: -0.000
local terms energy: -20.788307
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -4.820
flat angles P-C4'-P energy: -2.622
tors. eta vs tors. theta energy: -4.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -36.801379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.801379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.801379 (E_RNA)
where:
Base-Base interactions energy: -18.247
where: short stacking energy: -18.247
Base-Backbone interact. energy: -0.000
local terms energy: -18.554402
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -3.941
flat angles C4'-P-C4' energy: -3.732
flat angles P-C4'-P energy: -3.314
tors. eta vs tors. theta energy: -3.567
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: 392
Temperature: 1.050000
Total energy: -32.864357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.864357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.864357 (E_RNA)
where:
Base-Base interactions energy: -13.547
where: short stacking energy: -13.547
Base-Backbone interact. energy: -0.000
local terms energy: -19.317574
where:
bonds (distance) C4'-P energy: -4.163
bonds (distance) P-C4' energy: -4.392
flat angles C4'-P-C4' energy: -3.960
flat angles P-C4'-P energy: -3.710
tors. eta vs tors. theta energy: -3.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -29.474261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.474261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.474261 (E_RNA)
where:
Base-Base interactions energy: -13.599
where: short stacking energy: -13.599
Base-Backbone interact. energy: -0.024
local terms energy: -15.851125
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -2.063
flat angles C4'-P-C4' energy: -4.481
flat angles P-C4'-P energy: -3.057
tors. eta vs tors. theta energy: -2.025
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: 6, replica: 4
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -27.962698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.962698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.962698 (E_RNA)
where:
Base-Base interactions energy: -13.928
where: short stacking energy: -13.928
Base-Backbone interact. energy: -0.072
local terms energy: -13.962564
where:
bonds (distance) C4'-P energy: -2.262
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.659
flat angles P-C4'-P energy: 0.041
tors. eta vs tors. theta energy: -1.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -29.114868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.114868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.114868 (E_RNA)
where:
Base-Base interactions energy: -11.734
where: short stacking energy: -11.734
Base-Backbone interact. energy: -0.000
local terms energy: -17.381033
where:
bonds (distance) C4'-P energy: -4.233
bonds (distance) P-C4' energy: -3.582
flat angles C4'-P-C4' energy: -3.678
flat angles P-C4'-P energy: -2.922
tors. eta vs tors. theta energy: -2.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -31.440085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.440085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.440085 (E_RNA)
where:
Base-Base interactions energy: -10.553
where: short stacking energy: -10.553
Base-Backbone interact. energy: -0.000
local terms energy: -20.887338
where:
bonds (distance) C4'-P energy: -3.673
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.593
flat angles P-C4'-P energy: -3.473
tors. eta vs tors. theta energy: -4.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -25.122165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.122165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.122165 (E_RNA)
where:
Base-Base interactions energy: -8.551
where: short stacking energy: -8.551
Base-Backbone interact. energy: -0.000
local terms energy: -16.570925
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -2.863
flat angles C4'-P-C4' energy: -4.679
flat angles P-C4'-P energy: -2.158
tors. eta vs tors. theta energy: -2.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -20.689391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.689391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.689391 (E_RNA)
where:
Base-Base interactions energy: -4.181
where: short stacking energy: -4.181
Base-Backbone interact. energy: -0.000
local terms energy: -16.508018
where:
bonds (distance) C4'-P energy: -3.309
bonds (distance) P-C4' energy: -4.603
flat angles C4'-P-C4' energy: -4.202
flat angles P-C4'-P energy: -3.254
tors. eta vs tors. theta energy: -1.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -33.645114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.645114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.645114 (E_RNA)
where:
Base-Base interactions energy: -12.912
where: short stacking energy: -12.912
Base-Backbone interact. energy: -0.000
local terms energy: -20.732927
where:
bonds (distance) C4'-P energy: -4.154
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.407
flat angles P-C4'-P energy: -3.902
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: 2, replica: 7
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -37.012453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.012453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.012453 (E_RNA)
where:
Base-Base interactions energy: -17.847
where: short stacking energy: -17.847
Base-Backbone interact. energy: -0.000
local terms energy: -19.165806
where:
bonds (distance) C4'-P energy: -3.815
bonds (distance) P-C4' energy: -4.339
flat angles C4'-P-C4' energy: -4.509
flat angles P-C4'-P energy: -2.283
tors. eta vs tors. theta energy: -4.219
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: 3
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -37.467262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.467262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.467262 (E_RNA)
where:
Base-Base interactions energy: -16.543
where: short stacking energy: -16.543
Base-Backbone interact. energy: -0.000
local terms energy: -20.924673
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -3.923
flat angles P-C4'-P energy: -2.683
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: 4, replica: 5
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -37.316464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.316464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.316464 (E_RNA)
where:
Base-Base interactions energy: -16.977
where: short stacking energy: -16.977
Base-Backbone interact. energy: -0.000
local terms energy: -20.339238
where:
bonds (distance) C4'-P energy: -3.699
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -3.855
flat angles P-C4'-P energy: -3.254
tors. eta vs tors. theta energy: -4.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -27.889238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.889238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.889238 (E_RNA)
where:
Base-Base interactions energy: -9.014
where: short stacking energy: -9.014
Base-Backbone interact. energy: -0.001
local terms energy: -18.875201
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -3.916
flat angles C4'-P-C4' energy: -4.256
flat angles P-C4'-P energy: -3.547
tors. eta vs tors. theta energy: -2.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -27.458647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.458647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.458647 (E_RNA)
where:
Base-Base interactions energy: -8.848
where: short stacking energy: -8.848
Base-Backbone interact. energy: -0.000
local terms energy: -18.610770
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.326
flat angles P-C4'-P energy: -3.180
tors. eta vs tors. theta energy: -1.939
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: 4
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -30.899748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.899748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.899748 (E_RNA)
where:
Base-Base interactions energy: -11.558
where: short stacking energy: -11.558
Base-Backbone interact. energy: -0.000
local terms energy: -19.341059
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -4.202
flat angles C4'-P-C4' energy: -4.050
flat angles P-C4'-P energy: -1.879
tors. eta vs tors. theta energy: -5.209
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: 393
Temperature: 1.250000
Total energy: -29.784166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.784166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.784166 (E_RNA)
where:
Base-Base interactions energy: -13.227
where: short stacking energy: -9.358
Base-Backbone interact. energy: -0.001
local terms energy: -16.556272
where:
bonds (distance) C4'-P energy: -2.896
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -2.762
flat angles P-C4'-P energy: -3.354
tors. eta vs tors. theta energy: -2.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -33.289340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.289340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.289340 (E_RNA)
where:
Base-Base interactions energy: -11.678
where: short stacking energy: -11.678
Base-Backbone interact. energy: -0.000
local terms energy: -21.611696
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -4.698
flat angles P-C4'-P energy: -3.624
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: 10, replica: 2
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -29.409650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.409650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.409650 (E_RNA)
where:
Base-Base interactions energy: -14.421
where: short stacking energy: -14.421
Base-Backbone interact. energy: -0.000
local terms energy: -14.988656
where:
bonds (distance) C4'-P energy: -2.101
bonds (distance) P-C4' energy: -1.932
flat angles C4'-P-C4' energy: -4.369
flat angles P-C4'-P energy: -3.556
tors. eta vs tors. theta energy: -3.031
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: 7
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -37.005907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.005907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.005907 (E_RNA)
where:
Base-Base interactions energy: -15.191
where: short stacking energy: -15.191
Base-Backbone interact. energy: -0.000
local terms energy: -21.814596
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.972
flat angles P-C4'-P energy: -2.983
tors. eta vs tors. theta energy: -5.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -35.504427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.504427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.504427 (E_RNA)
where:
Base-Base interactions energy: -13.507
where: short stacking energy: -13.507
Base-Backbone interact. energy: -0.000
local terms energy: -21.997560
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -4.628
flat angles C4'-P-C4' energy: -4.186
flat angles P-C4'-P energy: -3.673
tors. eta vs tors. theta energy: -5.294
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: 5
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -31.059979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.059979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.059979 (E_RNA)
where:
Base-Base interactions energy: -14.825
where: short stacking energy: -14.825
Base-Backbone interact. energy: -0.034
local terms energy: -16.200727
where:
bonds (distance) C4'-P energy: -4.163
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -2.550
flat angles P-C4'-P energy: -3.582
tors. eta vs tors. theta energy: -1.024
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: 4, replica: 3
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -29.313326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.313326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.313326 (E_RNA)
where:
Base-Base interactions energy: -11.678
where: short stacking energy: -11.678
Base-Backbone interact. energy: -0.000
local terms energy: -17.635726
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -4.044
flat angles C4'-P-C4' energy: -3.006
flat angles P-C4'-P energy: -3.216
tors. eta vs tors. theta energy: -3.145
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: 394
Temperature: 1.100000
Total energy: -31.286773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.286773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.286773 (E_RNA)
where:
Base-Base interactions energy: -13.669
where: short stacking energy: -13.669
Base-Backbone interact. energy: -0.000
local terms energy: -17.617587
where:
bonds (distance) C4'-P energy: -3.541
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -2.453
flat angles P-C4'-P energy: -2.805
tors. eta vs tors. theta energy: -3.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -28.738731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.738731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.738731 (E_RNA)
where:
Base-Base interactions energy: -12.251
where: short stacking energy: -12.251
Base-Backbone interact. energy: -0.000
local terms energy: -16.487454
where:
bonds (distance) C4'-P energy: -4.634
bonds (distance) P-C4' energy: -4.674
flat angles C4'-P-C4' energy: -2.304
flat angles P-C4'-P energy: -1.150
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: 1
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -30.493594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.493594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.493594 (E_RNA)
where:
Base-Base interactions energy: -11.216
where: short stacking energy: -11.216
Base-Backbone interact. energy: -0.000
local terms energy: -19.277122
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -4.358
flat angles P-C4'-P energy: -1.547
tors. eta vs tors. theta energy: -3.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -23.590509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.590509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.590509 (E_RNA)
where:
Base-Base interactions energy: -7.214
where: short stacking energy: -7.214
Base-Backbone interact. energy: -0.000
local terms energy: -16.376188
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.417
flat angles C4'-P-C4' energy: -4.120
flat angles P-C4'-P energy: -2.670
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: 9, replica: 2
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -25.350663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.350663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.350663 (E_RNA)
where:
Base-Base interactions energy: -8.930
where: short stacking energy: -8.930
Base-Backbone interact. energy: -0.003
local terms energy: -16.417774
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -3.339
flat angles C4'-P-C4' energy: -3.963
flat angles P-C4'-P energy: -2.154
tors. eta vs tors. theta energy: -3.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -26.000355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.000355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.000355 (E_RNA)
where:
Base-Base interactions energy: -11.784
where: short stacking energy: -8.032
Base-Backbone interact. energy: -0.014
local terms energy: -14.202190
where:
bonds (distance) C4'-P energy: -3.161
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.885
flat angles P-C4'-P energy: -2.169
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: 1, replica: 7
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -36.976975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.976975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.976975 (E_RNA)
where:
Base-Base interactions energy: -17.619
where: short stacking energy: -17.619
Base-Backbone interact. energy: -0.000
local terms energy: -19.357553
where:
bonds (distance) C4'-P energy: -4.448
bonds (distance) P-C4' energy: -4.202
flat angles C4'-P-C4' energy: -4.589
flat angles P-C4'-P energy: -3.238
tors. eta vs tors. theta energy: -2.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -36.429246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.429246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.429246 (E_RNA)
where:
Base-Base interactions energy: -15.824
where: short stacking energy: -15.824
Base-Backbone interact. energy: -0.000
local terms energy: -20.605553
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.244
flat angles P-C4'-P energy: -3.018
tors. eta vs tors. theta energy: -3.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -32.915773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.915773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.915773 (E_RNA)
where:
Base-Base interactions energy: -16.390
where: short stacking energy: -16.390
Base-Backbone interact. energy: -0.000
local terms energy: -16.525610
where:
bonds (distance) C4'-P energy: -2.448
bonds (distance) P-C4' energy: -4.410
flat angles C4'-P-C4' energy: -4.080
flat angles P-C4'-P energy: -2.313
tors. eta vs tors. theta energy: -3.274
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: 395
Temperature: 1.050000
Total energy: -35.101007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.101007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.101007 (E_RNA)
where:
Base-Base interactions energy: -15.614
where: short stacking energy: -15.614
Base-Backbone interact. energy: -0.000
local terms energy: -19.487130
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -4.360
flat angles P-C4'-P energy: -2.528
tors. eta vs tors. theta energy: -3.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -31.145206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.145206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.145206 (E_RNA)
where:
Base-Base interactions energy: -15.526
where: short stacking energy: -15.258
Base-Backbone interact. energy: -0.000
local terms energy: -15.618816
where:
bonds (distance) C4'-P energy: -3.691
bonds (distance) P-C4' energy: -1.205
flat angles C4'-P-C4' energy: -4.130
flat angles P-C4'-P energy: -3.056
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: 6, replica: 1
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -30.039448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.039448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.039448 (E_RNA)
where:
Base-Base interactions energy: -12.743
where: short stacking energy: -12.743
Base-Backbone interact. energy: -0.000
local terms energy: -17.296019
where:
bonds (distance) C4'-P energy: -1.430
bonds (distance) P-C4' energy: -4.579
flat angles C4'-P-C4' energy: -4.555
flat angles P-C4'-P energy: -2.949
tors. eta vs tors. theta energy: -3.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -26.180325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.180325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.180325 (E_RNA)
where:
Base-Base interactions energy: -11.490
where: short stacking energy: -11.490
Base-Backbone interact. energy: -0.004
local terms energy: -14.686453
where:
bonds (distance) C4'-P energy: -1.525
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -2.314
flat angles P-C4'-P energy: -2.785
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: 8, replica: 4
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -24.666701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.666701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.666701 (E_RNA)
where:
Base-Base interactions energy: -7.847
where: short stacking energy: -5.559
Base-Backbone interact. energy: -0.000
local terms energy: -16.819721
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.734
flat angles P-C4'-P energy: -1.890
tors. eta vs tors. theta energy: -1.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -25.496536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.496536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.496536 (E_RNA)
where:
Base-Base interactions energy: -8.937
where: short stacking energy: -8.937
Base-Backbone interact. energy: -0.000
local terms energy: -16.559287
where:
bonds (distance) C4'-P energy: -2.946
bonds (distance) P-C4' energy: -3.339
flat angles C4'-P-C4' energy: -3.968
flat angles P-C4'-P energy: -3.701
tors. eta vs tors. theta energy: -2.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -27.349118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.349118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.349118 (E_RNA)
where:
Base-Base interactions energy: -9.279
where: short stacking energy: -9.279
Base-Backbone interact. energy: -0.000
local terms energy: -18.070290
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.907
flat angles P-C4'-P energy: -3.624
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: 5
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -35.455028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.455028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.455028 (E_RNA)
where:
Base-Base interactions energy: -15.488
where: short stacking energy: -15.488
Base-Backbone interact. energy: -0.000
local terms energy: -19.967138
where:
bonds (distance) C4'-P energy: -3.939
bonds (distance) P-C4' energy: -4.177
flat angles C4'-P-C4' energy: -4.627
flat angles P-C4'-P energy: -3.389
tors. eta vs tors. theta energy: -3.835
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: 7
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -30.937027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.937027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.937027 (E_RNA)
where:
Base-Base interactions energy: -13.454
where: short stacking energy: -13.454
Base-Backbone interact. energy: -0.000
local terms energy: -17.482388
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -4.649
flat angles C4'-P-C4' energy: -2.855
flat angles P-C4'-P energy: -3.256
tors. eta vs tors. theta energy: -2.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -33.860688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.860688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.860688 (E_RNA)
where:
Base-Base interactions energy: -15.015
where: short stacking energy: -15.015
Base-Backbone interact. energy: -0.000
local terms energy: -18.845962
where:
bonds (distance) C4'-P energy: -4.419
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.154
flat angles P-C4'-P energy: -1.827
tors. eta vs tors. theta energy: -3.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -26.855106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.855106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.855106 (E_RNA)
where:
Base-Base interactions energy: -9.407
where: short stacking energy: -9.407
Base-Backbone interact. energy: -0.000
local terms energy: -17.447634
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -4.174
flat angles C4'-P-C4' energy: -4.275
flat angles P-C4'-P energy: -1.617
tors. eta vs tors. theta energy: -3.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -31.939301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.939301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.939301 (E_RNA)
where:
Base-Base interactions energy: -12.281
where: short stacking energy: -12.281
Base-Backbone interact. energy: -0.000
local terms energy: -19.658344
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -3.553
flat angles C4'-P-C4' energy: -4.330
flat angles P-C4'-P energy: -3.277
tors. eta vs tors. theta energy: -4.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -28.064131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.064131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.064131 (E_RNA)
where:
Base-Base interactions energy: -13.399
where: short stacking energy: -13.399
Base-Backbone interact. energy: -0.012
local terms energy: -14.652788
where:
bonds (distance) C4'-P energy: -3.363
bonds (distance) P-C4' energy: -3.301
flat angles C4'-P-C4' energy: -3.143
flat angles P-C4'-P energy: -3.492
tors. eta vs tors. theta energy: -1.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -24.795573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.795573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.795573 (E_RNA)
where:
Base-Base interactions energy: -8.744
where: short stacking energy: -8.744
Base-Backbone interact. energy: -0.042
local terms energy: -16.008921
where:
bonds (distance) C4'-P energy: -3.256
bonds (distance) P-C4' energy: -4.410
flat angles C4'-P-C4' energy: -3.597
flat angles P-C4'-P energy: -2.710
tors. eta vs tors. theta energy: -2.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -25.932732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.932732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.932732 (E_RNA)
where:
Base-Base interactions energy: -11.956
where: short stacking energy: -11.956
Base-Backbone interact. energy: -0.000
local terms energy: -13.976254
where:
bonds (distance) C4'-P energy: -0.048
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.299
flat angles P-C4'-P energy: -1.726
tors. eta vs tors. theta energy: -2.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -24.232028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.232028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.232028 (E_RNA)
where:
Base-Base interactions energy: -7.639
where: short stacking energy: -7.639
Base-Backbone interact. energy: -0.000
local terms energy: -16.593297
where:
bonds (distance) C4'-P energy: -3.691
bonds (distance) P-C4' energy: -3.557
flat angles C4'-P-C4' energy: -4.235
flat angles P-C4'-P energy: -3.218
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: 2
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -27.070488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.070488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.070488 (E_RNA)
where:
Base-Base interactions energy: -11.401
where: short stacking energy: -11.401
Base-Backbone interact. energy: -0.000
local terms energy: -15.668987
where:
bonds (distance) C4'-P energy: -2.588
bonds (distance) P-C4' energy: -3.332
flat angles C4'-P-C4' energy: -4.633
flat angles P-C4'-P energy: -3.086
tors. eta vs tors. theta energy: -2.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -38.088554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.088554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.088554 (E_RNA)
where:
Base-Base interactions energy: -18.528
where: short stacking energy: -18.528
Base-Backbone interact. energy: -0.000
local terms energy: -19.560176
where:
bonds (distance) C4'-P energy: -3.861
bonds (distance) P-C4' energy: -2.895
flat angles C4'-P-C4' energy: -4.202
flat angles P-C4'-P energy: -3.000
tors. eta vs tors. theta energy: -5.602
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: 7
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -28.725248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.725248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.725248 (E_RNA)
where:
Base-Base interactions energy: -14.824
where: short stacking energy: -9.388
Base-Backbone interact. energy: -0.003
local terms energy: -13.898733
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.406
flat angles C4'-P-C4' energy: -4.237
flat angles P-C4'-P energy: -0.224
tors. eta vs tors. theta energy: -0.621
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: 397
Temperature: 1.000000
Total energy: -26.194554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.194554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.194554 (E_RNA)
where:
Base-Base interactions energy: -10.591
where: short stacking energy: -10.591
Base-Backbone interact. energy: -0.000
local terms energy: -15.603910
where:
bonds (distance) C4'-P energy: -3.318
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -3.905
flat angles P-C4'-P energy: -3.285
tors. eta vs tors. theta energy: -0.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -27.134419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.134419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.134419 (E_RNA)
where:
Base-Base interactions energy: -11.278
where: short stacking energy: -11.278
Base-Backbone interact. energy: -0.004
local terms energy: -15.852136
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.653
flat angles C4'-P-C4' energy: -3.779
flat angles P-C4'-P energy: -3.234
tors. eta vs tors. theta energy: -0.078
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: 397
Temperature: 1.100000
Total energy: -32.364449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.364449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.364449 (E_RNA)
where:
Base-Base interactions energy: -15.925
where: short stacking energy: -15.925
Base-Backbone interact. energy: -0.000
local terms energy: -16.439805
where:
bonds (distance) C4'-P energy: -2.316
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -4.339
flat angles P-C4'-P energy: -1.515
tors. eta vs tors. theta energy: -3.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -30.219954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.219954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.219954 (E_RNA)
where:
Base-Base interactions energy: -10.031
where: short stacking energy: -10.031
Base-Backbone interact. energy: -0.000
local terms energy: -20.188696
where:
bonds (distance) C4'-P energy: -4.535
bonds (distance) P-C4' energy: -4.180
flat angles C4'-P-C4' energy: -4.599
flat angles P-C4'-P energy: -3.805
tors. eta vs tors. theta energy: -3.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -24.011639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.011639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.011639 (E_RNA)
where:
Base-Base interactions energy: -7.621
where: short stacking energy: -7.621
Base-Backbone interact. energy: -0.020
local terms energy: -16.371303
where:
bonds (distance) C4'-P energy: -3.161
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.526
flat angles P-C4'-P energy: -2.577
tors. eta vs tors. theta energy: -0.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -29.872225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.872225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.872225 (E_RNA)
where:
Base-Base interactions energy: -12.074
where: short stacking energy: -12.074
Base-Backbone interact. energy: -0.000
local terms energy: -17.797853
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.962
flat angles P-C4'-P energy: -2.752
tors. eta vs tors. theta energy: -2.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -28.425078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.425078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.425078 (E_RNA)
where:
Base-Base interactions energy: -10.423
where: short stacking energy: -10.423
Base-Backbone interact. energy: -0.000
local terms energy: -18.001675
where:
bonds (distance) C4'-P energy: -3.645
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -4.401
flat angles P-C4'-P energy: -2.264
tors. eta vs tors. theta energy: -2.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -23.635022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.635022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.635022 (E_RNA)
where:
Base-Base interactions energy: -8.043
where: short stacking energy: -8.043
Base-Backbone interact. energy: -0.003
local terms energy: -15.588919
where:
bonds (distance) C4'-P energy: -3.264
bonds (distance) P-C4' energy: -3.889
flat angles C4'-P-C4' energy: -4.731
flat angles P-C4'-P energy: -2.117
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: 5
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -38.976040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.976040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.976040 (E_RNA)
where:
Base-Base interactions energy: -20.130
where: short stacking energy: -13.312
Base-Backbone interact. energy: -0.001
local terms energy: -18.845457
where:
bonds (distance) C4'-P energy: -4.303
bonds (distance) P-C4' energy: -5.361
flat angles C4'-P-C4' energy: -3.461
flat angles P-C4'-P energy: -3.453
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: 2, replica: 7
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -31.468221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.468221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.468221 (E_RNA)
where:
Base-Base interactions energy: -14.644
where: short stacking energy: -14.644
Base-Backbone interact. energy: -0.000
local terms energy: -16.824490
where:
bonds (distance) C4'-P energy: -3.202
bonds (distance) P-C4' energy: -4.202
flat angles C4'-P-C4' energy: -3.645
flat angles P-C4'-P energy: -1.410
tors. eta vs tors. theta energy: -4.366
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: 1
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -32.831397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.831397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.831397 (E_RNA)
where:
Base-Base interactions energy: -11.600
where: short stacking energy: -11.600
Base-Backbone interact. energy: -0.000
local terms energy: -21.231271
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.592
flat angles P-C4'-P energy: -2.662
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: 4, replica: 6
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -30.572339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.572339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.572339 (E_RNA)
where:
Base-Base interactions energy: -13.103
where: short stacking energy: -13.103
Base-Backbone interact. energy: -0.000
local terms energy: -17.469576
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -3.726
flat angles C4'-P-C4' energy: -3.288
flat angles P-C4'-P energy: -2.719
tors. eta vs tors. theta energy: -3.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -29.895853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.895853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.895853 (E_RNA)
where:
Base-Base interactions energy: -14.407
where: short stacking energy: -14.407
Base-Backbone interact. energy: -0.000
local terms energy: -15.489146
where:
bonds (distance) C4'-P energy: -3.583
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -3.503
flat angles P-C4'-P energy: -2.359
tors. eta vs tors. theta energy: -1.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -31.286753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.286753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.286753 (E_RNA)
where:
Base-Base interactions energy: -13.845
where: short stacking energy: -13.845
Base-Backbone interact. energy: -0.000
local terms energy: -17.441919
where:
bonds (distance) C4'-P energy: -3.045
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -3.175
flat angles P-C4'-P energy: -2.474
tors. eta vs tors. theta energy: -3.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -28.213911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.213911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.213911 (E_RNA)
where:
Base-Base interactions energy: -7.750
where: short stacking energy: -7.750
Base-Backbone interact. energy: -0.006
local terms energy: -20.457698
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.924
flat angles P-C4'-P energy: -3.511
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: 3
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -36.465472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.465472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.465472 (E_RNA)
where:
Base-Base interactions energy: -15.534
where: short stacking energy: -15.534
Base-Backbone interact. energy: -0.000
local terms energy: -20.930982
where:
bonds (distance) C4'-P energy: -4.303
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -3.661
flat angles P-C4'-P energy: -3.957
tors. eta vs tors. theta energy: -4.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -25.596008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.596008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.596008 (E_RNA)
where:
Base-Base interactions energy: -9.813
where: short stacking energy: -9.813
Base-Backbone interact. energy: -0.004
local terms energy: -15.778508
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -3.815
flat angles C4'-P-C4' energy: -4.542
flat angles P-C4'-P energy: -1.424
tors. eta vs tors. theta energy: -1.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -23.899543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.899543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.899543 (E_RNA)
where:
Base-Base interactions energy: -8.581
where: short stacking energy: -8.581
Base-Backbone interact. energy: -0.000
local terms energy: -15.318064
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -2.302
flat angles P-C4'-P energy: -2.825
tors. eta vs tors. theta energy: -1.677
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: 5
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -37.437160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.437160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.437160 (E_RNA)
where:
Base-Base interactions energy: -16.420
where: short stacking energy: -16.420
Base-Backbone interact. energy: -0.000
local terms energy: -21.016790
where:
bonds (distance) C4'-P energy: -3.815
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -3.678
flat angles P-C4'-P energy: -3.111
tors. eta vs tors. theta energy: -5.312
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: 1
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -33.261001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.261001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.261001 (E_RNA)
where:
Base-Base interactions energy: -14.436
where: short stacking energy: -14.436
Base-Backbone interact. energy: -0.000
local terms energy: -18.824546
where:
bonds (distance) C4'-P energy: -4.311
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.781
flat angles P-C4'-P energy: -2.272
tors. eta vs tors. theta energy: -3.367
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: 7
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -32.881085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.881085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.881085 (E_RNA)
where:
Base-Base interactions energy: -13.881
where: short stacking energy: -13.881
Base-Backbone interact. energy: -0.000
local terms energy: -19.000140
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -4.339
flat angles C4'-P-C4' energy: -4.013
flat angles P-C4'-P energy: -3.399
tors. eta vs tors. theta energy: -3.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -31.118763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.118763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.118763 (E_RNA)
where:
Base-Base interactions energy: -17.466
where: short stacking energy: -8.315
Base-Backbone interact. energy: 0.008
local terms energy: -13.660605
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -4.085
flat angles C4'-P-C4' energy: -3.270
flat angles P-C4'-P energy: -0.902
tors. eta vs tors. theta energy: -1.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -27.340349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.340349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.340349 (E_RNA)
where:
Base-Base interactions energy: -7.840
where: short stacking energy: -7.840
Base-Backbone interact. energy: -0.000
local terms energy: -19.500437
where:
bonds (distance) C4'-P energy: -3.753
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.364
flat angles P-C4'-P energy: -4.061
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: 6, replica: 9
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -34.339569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.339569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.339569 (E_RNA)
where:
Base-Base interactions energy: -14.807
where: short stacking energy: -14.807
Base-Backbone interact. energy: -0.000
local terms energy: -19.532450
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.572
flat angles C4'-P-C4' energy: -3.764
flat angles P-C4'-P energy: -3.605
tors. eta vs tors. theta energy: -3.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -26.753348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.753348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.753348 (E_RNA)
where:
Base-Base interactions energy: -11.085
where: short stacking energy: -11.085
Base-Backbone interact. energy: -0.000
local terms energy: -15.668454
where:
bonds (distance) C4'-P energy: -3.161
bonds (distance) P-C4' energy: -3.748
flat angles C4'-P-C4' energy: -4.207
flat angles P-C4'-P energy: -3.216
tors. eta vs tors. theta energy: -1.338
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: 2
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -25.341386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.341386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.341386 (E_RNA)
where:
Base-Base interactions energy: -11.508
where: short stacking energy: -11.508
Base-Backbone interact. energy: -0.004
local terms energy: -13.829714
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -0.725
flat angles C4'-P-C4' energy: -3.901
flat angles P-C4'-P energy: -2.649
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: 3
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -25.850745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.850745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.850745 (E_RNA)
where:
Base-Base interactions energy: -9.170
where: short stacking energy: -9.170
Base-Backbone interact. energy: -0.000
local terms energy: -16.680722
where:
bonds (distance) C4'-P energy: -3.637
bonds (distance) P-C4' energy: -4.575
flat angles C4'-P-C4' energy: -3.721
flat angles P-C4'-P energy: -2.669
tors. eta vs tors. theta energy: -2.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -22.751728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.751728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.751728 (E_RNA)
where:
Base-Base interactions energy: -6.961
where: short stacking energy: -3.938
Base-Backbone interact. energy: -0.040
local terms energy: -15.751159
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -3.025
flat angles P-C4'-P energy: -3.326
tors. eta vs tors. theta energy: -0.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -37.404721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.404721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.404721 (E_RNA)
where:
Base-Base interactions energy: -16.362
where: short stacking energy: -16.362
Base-Backbone interact. energy: -0.000
local terms energy: -21.042617
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.258
flat angles P-C4'-P energy: -2.923
tors. eta vs tors. theta energy: -4.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -39.485414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.485414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.485414 (E_RNA)
where:
Base-Base interactions energy: -17.987
where: short stacking energy: -17.987
Base-Backbone interact. energy: -0.000
local terms energy: -21.498434
where:
bonds (distance) C4'-P energy: -3.425
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.587
flat angles P-C4'-P energy: -3.807
tors. eta vs tors. theta energy: -5.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -36.063783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.063783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.063783 (E_RNA)
where:
Base-Base interactions energy: -16.678
where: short stacking energy: -16.678
Base-Backbone interact. energy: -0.000
local terms energy: -19.385522
where:
bonds (distance) C4'-P energy: -3.654
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -4.012
flat angles P-C4'-P energy: -3.588
tors. eta vs tors. theta energy: -3.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -35.608781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.608781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.608781 (E_RNA)
where:
Base-Base interactions energy: -14.818
where: short stacking energy: -14.818
Base-Backbone interact. energy: -0.000
local terms energy: -20.790436
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -4.572
flat angles C4'-P-C4' energy: -3.475
flat angles P-C4'-P energy: -3.022
tors. eta vs tors. theta energy: -5.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -35.308784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.308784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.308784 (E_RNA)
where:
Base-Base interactions energy: -15.439
where: short stacking energy: -15.439
Base-Backbone interact. energy: -0.000
local terms energy: -19.870136
where:
bonds (distance) C4'-P energy: -3.256
bonds (distance) P-C4' energy: -3.790
flat angles C4'-P-C4' energy: -3.930
flat angles P-C4'-P energy: -3.880
tors. eta vs tors. theta energy: -5.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -29.161200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.161200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.161200 (E_RNA)
where:
Base-Base interactions energy: -11.259
where: short stacking energy: -11.259
Base-Backbone interact. energy: -0.000
local terms energy: -17.902320
where:
bonds (distance) C4'-P energy: -2.796
bonds (distance) P-C4' energy: -4.410
flat angles C4'-P-C4' energy: -3.708
flat angles P-C4'-P energy: -3.434
tors. eta vs tors. theta energy: -3.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -29.151098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.151098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.151098 (E_RNA)
where:
Base-Base interactions energy: -14.455
where: short stacking energy: -14.455
Base-Backbone interact. energy: -0.000
local terms energy: -14.695807
where:
bonds (distance) C4'-P energy: -3.281
bonds (distance) P-C4' energy: -2.839
flat angles C4'-P-C4' energy: -4.731
flat angles P-C4'-P energy: -0.402
tors. eta vs tors. theta energy: -3.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -25.650095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.650095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.650095 (E_RNA)
where:
Base-Base interactions energy: -8.226
where: short stacking energy: -8.226
Base-Backbone interact. energy: -0.000
local terms energy: -17.424324
where:
bonds (distance) C4'-P energy: -3.541
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.045
flat angles P-C4'-P energy: -2.220
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: 9, replica: 10
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -23.014750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.014750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.014750 (E_RNA)
where:
Base-Base interactions energy: -6.827
where: short stacking energy: -6.827
Base-Backbone interact. energy: -0.000
local terms energy: -16.187752
where:
bonds (distance) C4'-P energy: -2.146
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.451
flat angles P-C4'-P energy: -3.357
tors. eta vs tors. theta energy: -1.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -27.282712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.282712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.282712 (E_RNA)
where:
Base-Base interactions energy: -10.051
where: short stacking energy: -10.051
Base-Backbone interact. energy: -0.030
local terms energy: -17.201511
where:
bonds (distance) C4'-P energy: -3.363
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -4.025
flat angles P-C4'-P energy: -2.571
tors. eta vs tors. theta energy: -1.884
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: 1, replica: 1
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -37.286042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.286042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.286042 (E_RNA)
where:
Base-Base interactions energy: -17.418
where: short stacking energy: -17.418
Base-Backbone interact. energy: -0.000
local terms energy: -19.867595
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -4.413
flat angles C4'-P-C4' energy: -4.466
flat angles P-C4'-P energy: -3.204
tors. eta vs tors. theta energy: -3.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -38.064727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.064727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.064727 (E_RNA)
where:
Base-Base interactions energy: -17.748
where: short stacking energy: -17.748
Base-Backbone interact. energy: -0.000
local terms energy: -20.316656
where:
bonds (distance) C4'-P energy: -3.558
bonds (distance) P-C4' energy: -4.406
flat angles C4'-P-C4' energy: -4.485
flat angles P-C4'-P energy: -3.002
tors. eta vs tors. theta energy: -4.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -36.615587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.615587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.615587 (E_RNA)
where:
Base-Base interactions energy: -17.101
where: short stacking energy: -17.101
Base-Backbone interact. energy: -0.000
local terms energy: -19.514713
where:
bonds (distance) C4'-P energy: -2.913
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -3.752
flat angles P-C4'-P energy: -2.596
tors. eta vs tors. theta energy: -5.366
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: 9
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -32.699854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.699854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.699854 (E_RNA)
where:
Base-Base interactions energy: -15.065
where: short stacking energy: -15.065
Base-Backbone interact. energy: -0.000
local terms energy: -17.635270
where:
bonds (distance) C4'-P energy: -3.869
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.193
flat angles P-C4'-P energy: -2.760
tors. eta vs tors. theta energy: -3.145
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: 7
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -32.617508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.617508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.617508 (E_RNA)
where:
Base-Base interactions energy: -11.539
where: short stacking energy: -11.539
Base-Backbone interact. energy: -0.000
local terms energy: -21.078192
where:
bonds (distance) C4'-P energy: -3.683
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.017
flat angles P-C4'-P energy: -3.348
tors. eta vs tors. theta energy: -5.363
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: 6
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -33.480627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.480627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.480627 (E_RNA)
where:
Base-Base interactions energy: -14.874
where: short stacking energy: -14.874
Base-Backbone interact. energy: -0.000
local terms energy: -18.606459
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -2.070
flat angles P-C4'-P energy: -2.304
tors. eta vs tors. theta energy: -5.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -29.208284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.208284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.208284 (E_RNA)
where:
Base-Base interactions energy: -12.535
where: short stacking energy: -12.535
Base-Backbone interact. energy: -0.000
local terms energy: -16.672778
where:
bonds (distance) C4'-P energy: -3.645
bonds (distance) P-C4' energy: -3.364
flat angles C4'-P-C4' energy: -3.836
flat angles P-C4'-P energy: -3.728
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: 8, replica: 10
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -23.633384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.633384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.633384 (E_RNA)
where:
Base-Base interactions energy: -13.174
where: short stacking energy: -13.174
Base-Backbone interact. energy: -0.000
local terms energy: -10.459639
where:
bonds (distance) C4'-P energy: -2.201
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -2.601
flat angles P-C4'-P energy: 1.831
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: 9, replica: 8
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -32.246403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.246403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.246403 (E_RNA)
where:
Base-Base interactions energy: -12.992
where: short stacking energy: -12.992
Base-Backbone interact. energy: -0.000
local terms energy: -19.254373
where:
bonds (distance) C4'-P energy: -3.815
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -4.378
flat angles P-C4'-P energy: -1.955
tors. eta vs tors. theta energy: -4.006
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: 401
Temperature: 1.350000
Total energy: -27.910999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.910999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.910999 (E_RNA)
where:
Base-Base interactions energy: -8.663
where: short stacking energy: -8.663
Base-Backbone interact. energy: -0.000
local terms energy: -19.248173
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.597
flat angles P-C4'-P energy: -3.541
tors. eta vs tors. theta energy: -2.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -38.623799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.623799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.623799 (E_RNA)
where:
Base-Base interactions energy: -18.664
where: short stacking energy: -18.664
Base-Backbone interact. energy: -0.000
local terms energy: -19.960065
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -3.421
flat angles P-C4'-P energy: -2.973
tors. eta vs tors. theta energy: -5.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -36.479028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.479028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.479028 (E_RNA)
where:
Base-Base interactions energy: -16.984
where: short stacking energy: -16.984
Base-Backbone interact. energy: -0.000
local terms energy: -19.494551
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -2.101
flat angles P-C4'-P energy: -3.986
tors. eta vs tors. theta energy: -3.996
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: 5
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -36.529722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.529722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.529722 (E_RNA)
where:
Base-Base interactions energy: -16.498
where: short stacking energy: -16.498
Base-Backbone interact. energy: -0.000
local terms energy: -20.031558
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -3.912
flat angles P-C4'-P energy: -3.503
tors. eta vs tors. theta energy: -4.248
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: 9
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -31.094918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.094918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.094918 (E_RNA)
where:
Base-Base interactions energy: -12.408
where: short stacking energy: -12.408
Base-Backbone interact. energy: -0.001
local terms energy: -18.685624
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -4.682
flat angles P-C4'-P energy: -3.625
tors. eta vs tors. theta energy: -1.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -33.535133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.535133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.535133 (E_RNA)
where:
Base-Base interactions energy: -15.380
where: short stacking energy: -15.380
Base-Backbone interact. energy: -0.000
local terms energy: -18.155362
where:
bonds (distance) C4'-P energy: -2.594
bonds (distance) P-C4' energy: -3.532
flat angles C4'-P-C4' energy: -4.398
flat angles P-C4'-P energy: -3.152
tors. eta vs tors. theta energy: -4.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -22.772868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.772868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.772868 (E_RNA)
where:
Base-Base interactions energy: -8.788
where: short stacking energy: -8.788
Base-Backbone interact. energy: -0.002
local terms energy: -13.983445
where:
bonds (distance) C4'-P energy: -2.920
bonds (distance) P-C4' energy: -4.202
flat angles C4'-P-C4' energy: -3.294
flat angles P-C4'-P energy: -2.354
tors. eta vs tors. theta energy: -1.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -29.964982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.964982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.964982 (E_RNA)
where:
Base-Base interactions energy: -11.549
where: short stacking energy: -11.549
Base-Backbone interact. energy: -0.000
local terms energy: -18.416273
where:
bonds (distance) C4'-P energy: -3.277
bonds (distance) P-C4' energy: -2.646
flat angles C4'-P-C4' energy: -4.786
flat angles P-C4'-P energy: -2.174
tors. eta vs tors. theta energy: -5.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -27.230302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.230302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.230302 (E_RNA)
where:
Base-Base interactions energy: -12.015
where: short stacking energy: -12.015
Base-Backbone interact. energy: -0.002
local terms energy: -15.213908
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -3.969
flat angles C4'-P-C4' energy: -4.676
flat angles P-C4'-P energy: -1.348
tors. eta vs tors. theta energy: -1.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -21.595457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.595457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.595457 (E_RNA)
where:
Base-Base interactions energy: -6.514
where: short stacking energy: -6.514
Base-Backbone interact. energy: -0.000
local terms energy: -15.081807
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -2.230
flat angles P-C4'-P energy: -1.762
tors. eta vs tors. theta energy: -1.780
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: 8
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -26.710208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.710208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.710208 (E_RNA)
where:
Base-Base interactions energy: -8.722
where: short stacking energy: -8.722
Base-Backbone interact. energy: -0.000
local terms energy: -17.988237
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.337
flat angles P-C4'-P energy: -3.643
tors. eta vs tors. theta energy: -1.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -33.200824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.200824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.200824 (E_RNA)
where:
Base-Base interactions energy: -15.368
where: short stacking energy: -15.368
Base-Backbone interact. energy: -0.005
local terms energy: -17.827640
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.500
flat angles P-C4'-P energy: -2.639
tors. eta vs tors. theta energy: -1.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -36.142269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.142269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.142269 (E_RNA)
where:
Base-Base interactions energy: -16.623
where: short stacking energy: -16.623
Base-Backbone interact. energy: -0.000
local terms energy: -19.519431
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -3.077
flat angles P-C4'-P energy: -2.342
tors. eta vs tors. theta energy: -4.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -32.731994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.731994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.731994 (E_RNA)
where:
Base-Base interactions energy: -13.698
where: short stacking energy: -13.698
Base-Backbone interact. energy: -0.000
local terms energy: -19.034206
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -3.576
flat angles P-C4'-P energy: -3.306
tors. eta vs tors. theta energy: -4.296
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: 6
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -28.706352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.706352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.706352 (E_RNA)
where:
Base-Base interactions energy: -12.052
where: short stacking energy: -12.052
Base-Backbone interact. energy: -0.005
local terms energy: -16.649346
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.047
flat angles C4'-P-C4' energy: -2.837
flat angles P-C4'-P energy: -3.120
tors. eta vs tors. theta energy: -2.126
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: 9
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -28.338934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.338934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.338934 (E_RNA)
where:
Base-Base interactions energy: -10.211
where: short stacking energy: -10.211
Base-Backbone interact. energy: -0.000
local terms energy: -18.127668
where:
bonds (distance) C4'-P energy: -3.372
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -4.816
flat angles P-C4'-P energy: -2.984
tors. eta vs tors. theta energy: -1.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -28.201665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.201665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.201665 (E_RNA)
where:
Base-Base interactions energy: -9.092
where: short stacking energy: -9.092
Base-Backbone interact. energy: -0.000
local terms energy: -19.110051
where:
bonds (distance) C4'-P energy: -4.634
bonds (distance) P-C4' energy: -5.361
flat angles C4'-P-C4' energy: -3.660
flat angles P-C4'-P energy: -2.067
tors. eta vs tors. theta energy: -3.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -32.144421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.144421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.144421 (E_RNA)
where:
Base-Base interactions energy: -13.216
where: short stacking energy: -13.216
Base-Backbone interact. energy: -0.003
local terms energy: -18.925288
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.766
flat angles P-C4'-P energy: -3.285
tors. eta vs tors. theta energy: -1.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -27.841930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.841930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.841930 (E_RNA)
where:
Base-Base interactions energy: -12.908
where: short stacking energy: -12.908
Base-Backbone interact. energy: -0.000
local terms energy: -14.934000
where:
bonds (distance) C4'-P energy: -3.595
bonds (distance) P-C4' energy: -3.518
flat angles C4'-P-C4' energy: -2.729
flat angles P-C4'-P energy: -1.506
tors. eta vs tors. theta energy: -3.585
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: 2
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -26.761238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.761238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.761238 (E_RNA)
where:
Base-Base interactions energy: -8.604
where: short stacking energy: -8.604
Base-Backbone interact. energy: -0.000
local terms energy: -18.157049
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -3.588
flat angles C4'-P-C4' energy: -4.598
flat angles P-C4'-P energy: -3.070
tors. eta vs tors. theta energy: -2.684
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: 10, replica: 8
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -23.039800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.039800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.039800 (E_RNA)
where:
Base-Base interactions energy: -4.808
where: short stacking energy: -4.808
Base-Backbone interact. energy: -0.000
local terms energy: -18.231712
where:
bonds (distance) C4'-P energy: -3.421
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -4.202
flat angles P-C4'-P energy: -3.192
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: 1
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -35.246768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.246768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.246768 (E_RNA)
where:
Base-Base interactions energy: -12.134
where: short stacking energy: -12.134
Base-Backbone interact. energy: -0.000
local terms energy: -23.112399
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.120
flat angles P-C4'-P energy: -3.984
tors. eta vs tors. theta energy: -5.488
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: 2, replica: 4
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -34.960659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.960659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.960659 (E_RNA)
where:
Base-Base interactions energy: -17.598
where: short stacking energy: -17.598
Base-Backbone interact. energy: -0.000
local terms energy: -17.362716
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -3.040
flat angles C4'-P-C4' energy: -4.169
flat angles P-C4'-P energy: -3.009
tors. eta vs tors. theta energy: -2.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -30.227565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.227565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.227565 (E_RNA)
where:
Base-Base interactions energy: -13.607
where: short stacking energy: -13.607
Base-Backbone interact. energy: -0.000
local terms energy: -16.620109
where:
bonds (distance) C4'-P energy: -3.823
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -2.095
flat angles P-C4'-P energy: -2.744
tors. eta vs tors. theta energy: -2.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -40.734738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.734738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.734738 (E_RNA)
where:
Base-Base interactions energy: -18.040
where: short stacking energy: -18.040
Base-Backbone interact. energy: -0.000
local terms energy: -22.694802
where:
bonds (distance) C4'-P energy: -4.303
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -4.394
flat angles P-C4'-P energy: -3.425
tors. eta vs tors. theta energy: -5.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -28.413604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.413604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.413604 (E_RNA)
where:
Base-Base interactions energy: -9.733
where: short stacking energy: -9.733
Base-Backbone interact. energy: -0.000
local terms energy: -18.680775
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -4.202
flat angles C4'-P-C4' energy: -4.905
flat angles P-C4'-P energy: -2.511
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: 6, replica: 9
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -30.855266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.855266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.855266 (E_RNA)
where:
Base-Base interactions energy: -12.001
where: short stacking energy: -12.001
Base-Backbone interact. energy: -0.000
local terms energy: -18.854156
where:
bonds (distance) C4'-P energy: -4.038
bonds (distance) P-C4' energy: -3.751
flat angles C4'-P-C4' energy: -3.660
flat angles P-C4'-P energy: -3.884
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: 7, replica: 3
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -28.093541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.093541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.093541 (E_RNA)
where:
Base-Base interactions energy: -8.453
where: short stacking energy: -8.453
Base-Backbone interact. energy: -0.000
local terms energy: -19.640375
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.362
flat angles P-C4'-P energy: -3.222
tors. eta vs tors. theta energy: -3.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -26.111576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.111576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.111576 (E_RNA)
where:
Base-Base interactions energy: -14.769
where: short stacking energy: -14.769
Base-Backbone interact. energy: -0.000
local terms energy: -11.342413
where:
bonds (distance) C4'-P energy: -2.859
bonds (distance) P-C4' energy: -0.846
flat angles C4'-P-C4' energy: -4.030
flat angles P-C4'-P energy: -0.444
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: 8
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -27.087724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.087724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.087724 (E_RNA)
where:
Base-Base interactions energy: -11.886
where: short stacking energy: -11.886
Base-Backbone interact. energy: -0.000
local terms energy: -15.201272
where:
bonds (distance) C4'-P energy: -4.009
bonds (distance) P-C4' energy: -3.656
flat angles C4'-P-C4' energy: -2.394
flat angles P-C4'-P energy: -2.825
tors. eta vs tors. theta energy: -2.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -30.781244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.781244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.781244 (E_RNA)
where:
Base-Base interactions energy: -15.629
where: short stacking energy: -15.629
Base-Backbone interact. energy: -0.000
local terms energy: -15.152213
where:
bonds (distance) C4'-P energy: -2.573
bonds (distance) P-C4' energy: -4.339
flat angles C4'-P-C4' energy: -3.869
flat angles P-C4'-P energy: 0.080
tors. eta vs tors. theta energy: -4.451
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: 1
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -37.403350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.403350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.403350 (E_RNA)
where:
Base-Base interactions energy: -16.107
where: short stacking energy: -16.107
Base-Backbone interact. energy: -0.000
local terms energy: -21.296232
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.683
flat angles P-C4'-P energy: -3.110
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: 2, replica: 5
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -38.062656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.062656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.062656 (E_RNA)
where:
Base-Base interactions energy: -16.659
where: short stacking energy: -16.659
Base-Backbone interact. energy: -0.000
local terms energy: -21.403647
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.674
flat angles P-C4'-P energy: -3.043
tors. eta vs tors. theta energy: -5.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -29.522494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.522494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.522494 (E_RNA)
where:
Base-Base interactions energy: -14.456
where: short stacking energy: -6.724
Base-Backbone interact. energy: -0.000
local terms energy: -15.065660
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -3.815
flat angles C4'-P-C4' energy: -3.987
flat angles P-C4'-P energy: -1.035
tors. eta vs tors. theta energy: -2.298
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: 405
Temperature: 1.050000
Total energy: -34.785031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.785031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.785031 (E_RNA)
where:
Base-Base interactions energy: -14.198
where: short stacking energy: -14.198
Base-Backbone interact. energy: -0.000
local terms energy: -20.587118
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -3.916
flat angles C4'-P-C4' energy: -4.657
flat angles P-C4'-P energy: -3.008
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: 5, replica: 6
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -33.571287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.571287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.571287 (E_RNA)
where:
Base-Base interactions energy: -13.375
where: short stacking energy: -13.375
Base-Backbone interact. energy: -0.000
local terms energy: -20.196714
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -3.974
flat angles P-C4'-P energy: -2.689
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: 6, replica: 3
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -32.827808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.827808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.827808 (E_RNA)
where:
Base-Base interactions energy: -16.254
where: short stacking energy: -16.254
Base-Backbone interact. energy: -0.000
local terms energy: -16.573380
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -3.248
flat angles P-C4'-P energy: -1.010
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: 7, replica: 9
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -25.528776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.528776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.528776 (E_RNA)
where:
Base-Base interactions energy: -12.466
where: short stacking energy: -12.466
Base-Backbone interact. energy: -0.095
local terms energy: -12.968207
where:
bonds (distance) C4'-P energy: 0.657
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.770
flat angles P-C4'-P energy: -3.186
tors. eta vs tors. theta energy: -1.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -30.868515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.868515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.868515 (E_RNA)
where:
Base-Base interactions energy: -9.965
where: short stacking energy: -9.965
Base-Backbone interact. energy: -0.000
local terms energy: -20.903546
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -2.847
flat angles P-C4'-P energy: -3.920
tors. eta vs tors. theta energy: -4.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -23.000357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.000357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.000357 (E_RNA)
where:
Base-Base interactions energy: -9.203
where: short stacking energy: -9.203
Base-Backbone interact. energy: -0.001
local terms energy: -13.796588
where:
bonds (distance) C4'-P energy: -4.063
bonds (distance) P-C4' energy: -4.842
flat angles C4'-P-C4' energy: -1.826
flat angles P-C4'-P energy: -2.953
tors. eta vs tors. theta energy: -0.111
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: 2
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -25.431710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.431710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.431710 (E_RNA)
where:
Base-Base interactions energy: -8.794
where: short stacking energy: -8.794
Base-Backbone interact. energy: -0.000
local terms energy: -16.637947
where:
bonds (distance) C4'-P energy: -2.660
bonds (distance) P-C4' energy: -3.723
flat angles C4'-P-C4' energy: -4.042
flat angles P-C4'-P energy: -3.120
tors. eta vs tors. theta energy: -3.093
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: 5
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -34.345614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.345614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.345614 (E_RNA)
where:
Base-Base interactions energy: -14.205
where: short stacking energy: -14.205
Base-Backbone interact. energy: -0.000
local terms energy: -20.140397
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -4.509
flat angles P-C4'-P energy: -2.890
tors. eta vs tors. theta energy: -2.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -40.175018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.175018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.175018 (E_RNA)
where:
Base-Base interactions energy: -17.590
where: short stacking energy: -17.590
Base-Backbone interact. energy: -0.000
local terms energy: -22.585265
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.188
flat angles P-C4'-P energy: -4.155
tors. eta vs tors. theta energy: -5.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -34.068705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.068705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.068705 (E_RNA)
where:
Base-Base interactions energy: -14.550
where: short stacking energy: -14.550
Base-Backbone interact. energy: -0.000
local terms energy: -19.518959
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.082
flat angles P-C4'-P energy: -3.683
tors. eta vs tors. theta energy: -3.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -30.595020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.595020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.595020 (E_RNA)
where:
Base-Base interactions energy: -12.563
where: short stacking energy: -12.563
Base-Backbone interact. energy: -0.006
local terms energy: -18.026229
where:
bonds (distance) C4'-P energy: -3.815
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.767
flat angles P-C4'-P energy: -3.159
tors. eta vs tors. theta energy: -1.618
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: 3
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -31.465916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.465916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.465916 (E_RNA)
where:
Base-Base interactions energy: -14.208
where: short stacking energy: -14.208
Base-Backbone interact. energy: -0.000
local terms energy: -17.257770
where:
bonds (distance) C4'-P energy: -3.745
bonds (distance) P-C4' energy: -4.202
flat angles C4'-P-C4' energy: -3.303
flat angles P-C4'-P energy: -3.900
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: 6, replica: 6
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -23.279268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.279268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.279268 (E_RNA)
where:
Base-Base interactions energy: -8.953
where: short stacking energy: -8.953
Base-Backbone interact. energy: -0.001
local terms energy: -14.325423
where:
bonds (distance) C4'-P energy: -3.479
bonds (distance) P-C4' energy: -4.892
flat angles C4'-P-C4' energy: -4.068
flat angles P-C4'-P energy: -1.862
tors. eta vs tors. theta energy: -0.024
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: 8
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -25.790118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.790118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.790118 (E_RNA)
where:
Base-Base interactions energy: -7.208
where: short stacking energy: -7.208
Base-Backbone interact. energy: -0.002
local terms energy: -18.579697
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.892
flat angles C4'-P-C4' energy: -4.498
flat angles P-C4'-P energy: -2.921
tors. eta vs tors. theta energy: -1.758
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: 9
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -26.395171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.395171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.395171 (E_RNA)
where:
Base-Base interactions energy: -10.580
where: short stacking energy: -10.580
Base-Backbone interact. energy: -0.000
local terms energy: -15.814994
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -3.097
flat angles C4'-P-C4' energy: -2.755
flat angles P-C4'-P energy: -2.080
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: 406
Temperature: 1.300000
Total energy: -23.912148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.912148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.912148 (E_RNA)
where:
Base-Base interactions energy: -7.525
where: short stacking energy: -7.525
Base-Backbone interact. energy: -0.000
local terms energy: -16.386337
where:
bonds (distance) C4'-P energy: -3.451
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.191
flat angles P-C4'-P energy: -1.777
tors. eta vs tors. theta energy: -1.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -24.284615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.284615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.284615 (E_RNA)
where:
Base-Base interactions energy: -9.216
where: short stacking energy: -9.216
Base-Backbone interact. energy: -0.000
local terms energy: -15.068514
where:
bonds (distance) C4'-P energy: -3.479
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.326
flat angles P-C4'-P energy: -0.695
tors. eta vs tors. theta energy: -1.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -30.960403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.960403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.960403 (E_RNA)
where:
Base-Base interactions energy: -12.958
where: short stacking energy: -12.958
Base-Backbone interact. energy: -0.003
local terms energy: -17.999485
where:
bonds (distance) C4'-P energy: -4.303
bonds (distance) P-C4' energy: -4.406
flat angles C4'-P-C4' energy: -3.479
flat angles P-C4'-P energy: -3.491
tors. eta vs tors. theta energy: -2.320
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: 10
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -34.960977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.960977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.960977 (E_RNA)
where:
Base-Base interactions energy: -16.591
where: short stacking energy: -16.591
Base-Backbone interact. energy: -0.000
local terms energy: -18.370192
where:
bonds (distance) C4'-P energy: -3.397
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.444
flat angles P-C4'-P energy: -2.808
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: 3, replica: 1
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -36.191924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.191924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.191924 (E_RNA)
where:
Base-Base interactions energy: -16.791
where: short stacking energy: -16.791
Base-Backbone interact. energy: -0.000
local terms energy: -19.401407
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.503
flat angles P-C4'-P energy: -2.426
tors. eta vs tors. theta energy: -3.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -31.474657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.474657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.474657 (E_RNA)
where:
Base-Base interactions energy: -14.051
where: short stacking energy: -14.051
Base-Backbone interact. energy: -0.000
local terms energy: -17.424036
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -4.842
flat angles C4'-P-C4' energy: -2.788
flat angles P-C4'-P energy: -3.008
tors. eta vs tors. theta energy: -2.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -31.381451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.381451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.381451 (E_RNA)
where:
Base-Base interactions energy: -16.132
where: short stacking energy: -8.324
Base-Backbone interact. energy: -0.003
local terms energy: -15.246794
where:
bonds (distance) C4'-P energy: -4.303
bonds (distance) P-C4' energy: -3.367
flat angles C4'-P-C4' energy: -3.105
flat angles P-C4'-P energy: -3.533
tors. eta vs tors. theta energy: -0.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -32.238824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.238824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.238824 (E_RNA)
where:
Base-Base interactions energy: -13.501
where: short stacking energy: -13.501
Base-Backbone interact. energy: -0.001
local terms energy: -18.737020
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -4.644
flat angles P-C4'-P energy: -3.126
tors. eta vs tors. theta energy: -1.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -26.416334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.416334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.416334 (E_RNA)
where:
Base-Base interactions energy: -8.963
where: short stacking energy: -8.963
Base-Backbone interact. energy: -0.001
local terms energy: -17.452257
where:
bonds (distance) C4'-P energy: -4.270
bonds (distance) P-C4' energy: -4.600
flat angles C4'-P-C4' energy: -4.253
flat angles P-C4'-P energy: -3.116
tors. eta vs tors. theta energy: -1.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -30.347929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.347929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.347929 (E_RNA)
where:
Base-Base interactions energy: -13.182
where: short stacking energy: -5.564
Base-Backbone interact. energy: -0.000
local terms energy: -17.165828
where:
bonds (distance) C4'-P energy: -3.541
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.333
flat angles P-C4'-P energy: -3.624
tors. eta vs tors. theta energy: -0.575
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: 9
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -27.443449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.443449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.443449 (E_RNA)
where:
Base-Base interactions energy: -12.667
where: short stacking energy: -12.667
Base-Backbone interact. energy: -0.000
local terms energy: -14.776423
where:
bonds (distance) C4'-P energy: -4.341
bonds (distance) P-C4' energy: -4.177
flat angles C4'-P-C4' energy: -3.874
flat angles P-C4'-P energy: -0.592
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: 10, replica: 7
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -25.038275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.038275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.038275 (E_RNA)
where:
Base-Base interactions energy: -8.717
where: short stacking energy: -8.717
Base-Backbone interact. energy: -0.021
local terms energy: -16.299729
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -4.044
flat angles C4'-P-C4' energy: -3.171
flat angles P-C4'-P energy: -2.302
tors. eta vs tors. theta energy: -2.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -33.113508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.113508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.113508 (E_RNA)
where:
Base-Base interactions energy: -14.799
where: short stacking energy: -14.799
Base-Backbone interact. energy: -0.000
local terms energy: -18.314145
where:
bonds (distance) C4'-P energy: -3.247
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -4.395
flat angles P-C4'-P energy: -1.579
tors. eta vs tors. theta energy: -3.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -34.340556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.340556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.340556 (E_RNA)
where:
Base-Base interactions energy: -14.262
where: short stacking energy: -14.262
Base-Backbone interact. energy: -0.000
local terms energy: -20.078826
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.481
flat angles P-C4'-P energy: -3.219
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: 3, replica: 1
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -35.714667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.714667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.714667 (E_RNA)
where:
Base-Base interactions energy: -15.662
where: short stacking energy: -15.662
Base-Backbone interact. energy: -0.000
local terms energy: -20.052830
where:
bonds (distance) C4'-P energy: -3.301
bonds (distance) P-C4' energy: -4.177
flat angles C4'-P-C4' energy: -4.383
flat angles P-C4'-P energy: -3.207
tors. eta vs tors. theta energy: -4.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -27.526794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.526794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.526794 (E_RNA)
where:
Base-Base interactions energy: -9.529
where: short stacking energy: -9.529
Base-Backbone interact. energy: -0.000
local terms energy: -17.997886
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.767
flat angles P-C4'-P energy: -3.708
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: 5, replica: 4
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -28.220489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.220489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.220489 (E_RNA)
where:
Base-Base interactions energy: -8.383
where: short stacking energy: -8.383
Base-Backbone interact. energy: -0.000
local terms energy: -19.837396
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.445
flat angles P-C4'-P energy: -3.233
tors. eta vs tors. theta energy: -2.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -30.814613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.814613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.814613 (E_RNA)
where:
Base-Base interactions energy: -12.533
where: short stacking energy: -12.533
Base-Backbone interact. energy: -0.055
local terms energy: -18.226989
where:
bonds (distance) C4'-P energy: -3.008
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.610
flat angles P-C4'-P energy: -3.490
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: 7, replica: 2
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -38.135501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.135501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.135501 (E_RNA)
where:
Base-Base interactions energy: -17.591
where: short stacking energy: -17.591
Base-Backbone interact. energy: -0.000
local terms energy: -20.544770
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.307
flat angles P-C4'-P energy: -3.278
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: 8, replica: 8
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -25.049339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.049339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.049339 (E_RNA)
where:
Base-Base interactions energy: -7.087
where: short stacking energy: -7.087
Base-Backbone interact. energy: -0.000
local terms energy: -17.962363
where:
bonds (distance) C4'-P energy: -3.050
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -3.890
flat angles P-C4'-P energy: -2.869
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: 9, replica: 7
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -26.607049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.607049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.607049 (E_RNA)
where:
Base-Base interactions energy: -11.000
where: short stacking energy: -11.000
Base-Backbone interact. energy: -0.001
local terms energy: -15.606287
where:
bonds (distance) C4'-P energy: -4.154
bonds (distance) P-C4' energy: -4.370
flat angles C4'-P-C4' energy: -4.624
flat angles P-C4'-P energy: -0.690
tors. eta vs tors. theta energy: -1.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -26.881809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.881809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.881809 (E_RNA)
where:
Base-Base interactions energy: -9.402
where: short stacking energy: -9.402
Base-Backbone interact. energy: -0.000
local terms energy: -17.480075
where:
bonds (distance) C4'-P energy: -2.804
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -2.475
flat angles P-C4'-P energy: -3.757
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: 1, replica: 10
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -32.702751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.702751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.702751 (E_RNA)
where:
Base-Base interactions energy: -13.228
where: short stacking energy: -13.228
Base-Backbone interact. energy: -0.000
local terms energy: -19.475176
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -4.326
flat angles P-C4'-P energy: -3.441
tors. eta vs tors. theta energy: -2.695
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: 5
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -33.071350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.071350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.071350 (E_RNA)
where:
Base-Base interactions energy: -15.572
where: short stacking energy: -15.572
Base-Backbone interact. energy: -0.000
local terms energy: -17.499755
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -3.981
flat angles C4'-P-C4' energy: -2.699
flat angles P-C4'-P energy: -2.992
tors. eta vs tors. theta energy: -3.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -34.414291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.414291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.414291 (E_RNA)
where:
Base-Base interactions energy: -12.081
where: short stacking energy: -12.081
Base-Backbone interact. energy: -0.000
local terms energy: -22.332953
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.780
flat angles P-C4'-P energy: -3.785
tors. eta vs tors. theta energy: -4.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -26.799565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.799565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.799565 (E_RNA)
where:
Base-Base interactions energy: -8.019
where: short stacking energy: -8.019
Base-Backbone interact. energy: -2.137
local terms energy: -16.642660
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -3.131
flat angles C4'-P-C4' energy: -4.202
flat angles P-C4'-P energy: -3.238
tors. eta vs tors. theta energy: -1.669
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: 3
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -32.660660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.660660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.660660 (E_RNA)
where:
Base-Base interactions energy: -13.613
where: short stacking energy: -13.613
Base-Backbone interact. energy: -0.000
local terms energy: -19.047874
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.832
flat angles C4'-P-C4' energy: -4.046
flat angles P-C4'-P energy: -3.021
tors. eta vs tors. theta energy: -2.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -27.642920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.642920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.642920 (E_RNA)
where:
Base-Base interactions energy: -9.989
where: short stacking energy: -9.989
Base-Backbone interact. energy: -0.013
local terms energy: -17.641245
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -4.202
flat angles C4'-P-C4' energy: -3.473
flat angles P-C4'-P energy: -2.534
tors. eta vs tors. theta energy: -3.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -27.351241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.351241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.351241 (E_RNA)
where:
Base-Base interactions energy: -10.822
where: short stacking energy: -10.822
Base-Backbone interact. energy: -0.000
local terms energy: -16.529059
where:
bonds (distance) C4'-P energy: -2.626
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -4.875
flat angles P-C4'-P energy: -1.755
tors. eta vs tors. theta energy: -3.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -29.217430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.217430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.217430 (E_RNA)
where:
Base-Base interactions energy: -13.477
where: short stacking energy: -13.477
Base-Backbone interact. energy: -0.000
local terms energy: -15.740142
where:
bonds (distance) C4'-P energy: -2.859
bonds (distance) P-C4' energy: -4.417
flat angles C4'-P-C4' energy: -3.564
flat angles P-C4'-P energy: 0.183
tors. eta vs tors. theta energy: -5.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -26.206916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.206916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.206916 (E_RNA)
where:
Base-Base interactions energy: -7.791
where: short stacking energy: -7.791
Base-Backbone interact. energy: -0.000
local terms energy: -18.415671
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -2.856
flat angles P-C4'-P energy: -3.988
tors. eta vs tors. theta energy: -1.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -27.429024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.429024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.429024 (E_RNA)
where:
Base-Base interactions energy: -8.716
where: short stacking energy: -8.716
Base-Backbone interact. energy: -0.000
local terms energy: -18.713283
where:
bonds (distance) C4'-P energy: -3.372
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -3.783
flat angles P-C4'-P energy: -3.682
tors. eta vs tors. theta energy: -3.445
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: 5
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -36.465543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.465543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.465543 (E_RNA)
where:
Base-Base interactions energy: -16.348
where: short stacking energy: -16.348
Base-Backbone interact. energy: -0.000
local terms energy: -20.117218
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -4.078
flat angles P-C4'-P energy: -2.779
tors. eta vs tors. theta energy: -5.255
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: 410
Temperature: 0.950000
Total energy: -32.814701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.814701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.814701 (E_RNA)
where:
Base-Base interactions energy: -19.239
where: short stacking energy: -10.323
Base-Backbone interact. energy: -0.001
local terms energy: -13.575118
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -2.255
flat angles P-C4'-P energy: -3.037
tors. eta vs tors. theta energy: -0.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -33.354450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.354450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.354450 (E_RNA)
where:
Base-Base interactions energy: -15.299
where: short stacking energy: -15.299
Base-Backbone interact. energy: -0.000
local terms energy: -18.055783
where:
bonds (distance) C4'-P energy: -3.372
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.198
flat angles P-C4'-P energy: -1.384
tors. eta vs tors. theta energy: -4.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -35.755770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.755770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.755770 (E_RNA)
where:
Base-Base interactions energy: -17.208
where: short stacking energy: -17.208
Base-Backbone interact. energy: -0.000
local terms energy: -18.548224
where:
bonds (distance) C4'-P energy: -2.680
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.655
flat angles P-C4'-P energy: -2.977
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: 5, replica: 2
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -28.779875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.779875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.779875 (E_RNA)
where:
Base-Base interactions energy: -8.688
where: short stacking energy: -8.688
Base-Backbone interact. energy: -0.000
local terms energy: -20.092262
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -4.199
flat angles P-C4'-P energy: -2.959
tors. eta vs tors. theta energy: -4.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -27.135506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.135506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.135506 (E_RNA)
where:
Base-Base interactions energy: -8.995
where: short stacking energy: -8.995
Base-Backbone interact. energy: -0.000
local terms energy: -18.140794
where:
bonds (distance) C4'-P energy: -3.923
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.097
flat angles P-C4'-P energy: -2.844
tors. eta vs tors. theta energy: -2.391
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: 7
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -26.276018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.276018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.276018 (E_RNA)
where:
Base-Base interactions energy: -12.181
where: short stacking energy: -12.181
Base-Backbone interact. energy: -0.000
local terms energy: -14.094729
where:
bonds (distance) C4'-P energy: -2.379
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -3.574
flat angles P-C4'-P energy: -1.695
tors. eta vs tors. theta energy: -2.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -25.307884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.307884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.307884 (E_RNA)
where:
Base-Base interactions energy: -7.969
where: short stacking energy: -7.969
Base-Backbone interact. energy: -0.000
local terms energy: -17.338370
where:
bonds (distance) C4'-P energy: -4.634
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -3.267
flat angles P-C4'-P energy: -2.129
tors. eta vs tors. theta energy: -2.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -26.078577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.078577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.078577 (E_RNA)
where:
Base-Base interactions energy: -7.344
where: short stacking energy: -7.344
Base-Backbone interact. energy: -0.000
local terms energy: -18.734367
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -2.565
flat angles P-C4'-P energy: -3.777
tors. eta vs tors. theta energy: -3.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -26.709139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.709139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.709139 (E_RNA)
where:
Base-Base interactions energy: -11.206
where: short stacking energy: -10.113
Base-Backbone interact. energy: -0.000
local terms energy: -15.503210
where:
bonds (distance) C4'-P energy: -3.078
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -4.006
flat angles P-C4'-P energy: 0.259
tors. eta vs tors. theta energy: -3.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -38.106016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.106016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.106016 (E_RNA)
where:
Base-Base interactions energy: -16.624
where: short stacking energy: -16.624
Base-Backbone interact. energy: -0.000
local terms energy: -21.481609
where:
bonds (distance) C4'-P energy: -4.163
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.854
flat angles P-C4'-P energy: -2.832
tors. eta vs tors. theta energy: -4.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -32.435931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.435931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.435931 (E_RNA)
where:
Base-Base interactions energy: -14.936
where: short stacking energy: -14.936
Base-Backbone interact. energy: -0.000
local terms energy: -17.499986
where:
bonds (distance) C4'-P energy: -3.558
bonds (distance) P-C4' energy: -3.578
flat angles C4'-P-C4' energy: -4.394
flat angles P-C4'-P energy: -2.805
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: 3, replica: 10
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -33.226242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.226242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.226242 (E_RNA)
where:
Base-Base interactions energy: -14.461
where: short stacking energy: -14.461
Base-Backbone interact. energy: -0.000
local terms energy: -18.765734
where:
bonds (distance) C4'-P energy: -2.751
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -3.940
flat angles P-C4'-P energy: -2.143
tors. eta vs tors. theta energy: -5.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -29.124653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.124653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.124653 (E_RNA)
where:
Base-Base interactions energy: -14.000
where: short stacking energy: -14.000
Base-Backbone interact. energy: -0.000
local terms energy: -15.124372
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -3.984
flat angles C4'-P-C4' energy: -3.092
flat angles P-C4'-P energy: -0.505
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: 5, replica: 1
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -26.997135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.997135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.997135 (E_RNA)
where:
Base-Base interactions energy: -11.961
where: short stacking energy: -11.961
Base-Backbone interact. energy: -0.002
local terms energy: -15.034293
where:
bonds (distance) C4'-P energy: -3.745
bonds (distance) P-C4' energy: -3.324
flat angles C4'-P-C4' energy: -3.443
flat angles P-C4'-P energy: -3.193
tors. eta vs tors. theta energy: -1.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -30.756180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.756180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.756180 (E_RNA)
where:
Base-Base interactions energy: -12.310
where: short stacking energy: -12.310
Base-Backbone interact. energy: -0.000
local terms energy: -18.445912
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -1.610
flat angles P-C4'-P energy: -3.441
tors. eta vs tors. theta energy: -3.902
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: 3
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -30.198092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.198092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.198092 (E_RNA)
where:
Base-Base interactions energy: -10.246
where: short stacking energy: -10.246
Base-Backbone interact. energy: -0.000
local terms energy: -19.952297
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -4.392
flat angles C4'-P-C4' energy: -4.871
flat angles P-C4'-P energy: -3.460
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: 9
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -24.242102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.242102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.242102 (E_RNA)
where:
Base-Base interactions energy: -7.935
where: short stacking energy: -7.935
Base-Backbone interact. energy: -0.076
local terms energy: -16.230683
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -3.412
flat angles P-C4'-P energy: -2.603
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: 9, replica: 6
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -28.151087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.151087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.151087 (E_RNA)
where:
Base-Base interactions energy: -12.752
where: short stacking energy: -12.752
Base-Backbone interact. energy: -0.000
local terms energy: -15.398706
where:
bonds (distance) C4'-P energy: -1.641
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -4.413
flat angles P-C4'-P energy: -1.830
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: 10, replica: 8
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -22.270060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.270060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.270060 (E_RNA)
where:
Base-Base interactions energy: -6.998
where: short stacking energy: -6.998
Base-Backbone interact. energy: -0.043
local terms energy: -15.229412
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.260
flat angles P-C4'-P energy: -1.123
tors. eta vs tors. theta energy: -1.096
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: 412
Temperature: 0.900000
Total energy: -37.138247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.138247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.138247 (E_RNA)
where:
Base-Base interactions energy: -17.151
where: short stacking energy: -17.151
Base-Backbone interact. energy: -0.000
local terms energy: -19.987490
where:
bonds (distance) C4'-P energy: -3.637
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.632
flat angles P-C4'-P energy: -2.408
tors. eta vs tors. theta energy: -3.955
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: 5
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -38.067266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.067266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.067266 (E_RNA)
where:
Base-Base interactions energy: -17.134
where: short stacking energy: -17.134
Base-Backbone interact. energy: -0.000
local terms energy: -20.932978
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -3.984
flat angles C4'-P-C4' energy: -4.746
flat angles P-C4'-P energy: -3.027
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: 3, replica: 2
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -29.908485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.908485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.908485 (E_RNA)
where:
Base-Base interactions energy: -12.672
where: short stacking energy: -8.300
Base-Backbone interact. energy: -0.010
local terms energy: -17.227034
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.494
flat angles P-C4'-P energy: -2.228
tors. eta vs tors. theta energy: -1.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -30.373737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.373737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.373737 (E_RNA)
where:
Base-Base interactions energy: -12.737
where: short stacking energy: -12.737
Base-Backbone interact. energy: -0.014
local terms energy: -17.622926
where:
bonds (distance) C4'-P energy: -3.264
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.664
flat angles P-C4'-P energy: -3.219
tors. eta vs tors. theta energy: -2.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -32.422056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.422056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.422056 (E_RNA)
where:
Base-Base interactions energy: -10.897
where: short stacking energy: -10.897
Base-Backbone interact. energy: -0.000
local terms energy: -21.525095
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.485
flat angles P-C4'-P energy: -2.839
tors. eta vs tors. theta energy: -5.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -27.240737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.240737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.240737 (E_RNA)
where:
Base-Base interactions energy: -8.578
where: short stacking energy: -8.578
Base-Backbone interact. energy: -0.010
local terms energy: -18.652671
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.589
flat angles P-C4'-P energy: -3.452
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: 7, replica: 9
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -32.920798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.920798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.920798 (E_RNA)
where:
Base-Base interactions energy: -12.067
where: short stacking energy: -12.067
Base-Backbone interact. energy: -0.000
local terms energy: -20.853505
where:
bonds (distance) C4'-P energy: -4.634
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -4.647
flat angles P-C4'-P energy: -2.752
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: 8, replica: 3
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -26.241256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.241256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.241256 (E_RNA)
where:
Base-Base interactions energy: -9.152
where: short stacking energy: -9.152
Base-Backbone interact. energy: -0.035
local terms energy: -17.053993
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -4.177
flat angles C4'-P-C4' energy: -4.255
flat angles P-C4'-P energy: -3.587
tors. eta vs tors. theta energy: -1.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -27.156463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.156463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.156463 (E_RNA)
where:
Base-Base interactions energy: -7.723
where: short stacking energy: -7.723
Base-Backbone interact. energy: -0.000
local terms energy: -19.433533
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.047
flat angles C4'-P-C4' energy: -3.524
flat angles P-C4'-P energy: -3.340
tors. eta vs tors. theta energy: -4.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -24.595948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.595948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.595948 (E_RNA)
where:
Base-Base interactions energy: -7.850
where: short stacking energy: -7.850
Base-Backbone interact. energy: -0.808
local terms energy: -15.938318
where:
bonds (distance) C4'-P energy: -3.045
bonds (distance) P-C4' energy: -4.174
flat angles C4'-P-C4' energy: -4.173
flat angles P-C4'-P energy: -3.006
tors. eta vs tors. theta energy: -1.541
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: 4
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -31.960492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.960492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.960492 (E_RNA)
where:
Base-Base interactions energy: -14.107
where: short stacking energy: -14.107
Base-Backbone interact. energy: -0.000
local terms energy: -17.853011
where:
bonds (distance) C4'-P energy: -4.332
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -3.340
flat angles P-C4'-P energy: -1.581
tors. eta vs tors. theta energy: -3.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -32.466252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.466252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.466252 (E_RNA)
where:
Base-Base interactions energy: -13.458
where: short stacking energy: -13.458
Base-Backbone interact. energy: -0.000
local terms energy: -19.008275
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -4.409
flat angles P-C4'-P energy: -3.417
tors. eta vs tors. theta energy: -2.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -35.558444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.558444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.558444 (E_RNA)
where:
Base-Base interactions energy: -17.166
where: short stacking energy: -8.250
Base-Backbone interact. energy: -0.007
local terms energy: -18.385802
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.944
flat angles P-C4'-P energy: -4.034
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: 4, replica: 7
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -29.344025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.344025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.344025 (E_RNA)
where:
Base-Base interactions energy: -10.942
where: short stacking energy: -10.942
Base-Backbone interact. energy: -0.000
local terms energy: -18.401881
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.011
flat angles P-C4'-P energy: -0.888
tors. eta vs tors. theta energy: -4.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -33.697227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.697227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.697227 (E_RNA)
where:
Base-Base interactions energy: -14.888
where: short stacking energy: -14.888
Base-Backbone interact. energy: -0.000
local terms energy: -18.809219
where:
bonds (distance) C4'-P energy: -3.247
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.504
flat angles P-C4'-P energy: -2.045
tors. eta vs tors. theta energy: -4.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -28.129200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.129200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.129200 (E_RNA)
where:
Base-Base interactions energy: -14.032
where: short stacking energy: -14.032
Base-Backbone interact. energy: -0.000
local terms energy: -14.097494
where:
bonds (distance) C4'-P energy: -2.402
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -2.680
flat angles P-C4'-P energy: -0.452
tors. eta vs tors. theta energy: -3.703
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: 1
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -27.692612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.692612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.692612 (E_RNA)
where:
Base-Base interactions energy: -11.142
where: short stacking energy: -11.142
Base-Backbone interact. energy: -0.000
local terms energy: -16.550652
where:
bonds (distance) C4'-P energy: -2.904
bonds (distance) P-C4' energy: -5.365
flat angles C4'-P-C4' energy: -1.591
flat angles P-C4'-P energy: -3.215
tors. eta vs tors. theta energy: -3.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -30.865875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.865875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.865875 (E_RNA)
where:
Base-Base interactions energy: -13.422
where: short stacking energy: -13.422
Base-Backbone interact. energy: -0.000
local terms energy: -17.443782
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.694
flat angles P-C4'-P energy: -1.322
tors. eta vs tors. theta energy: -2.787
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: 3
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -27.915752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.915752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.915752 (E_RNA)
where:
Base-Base interactions energy: -8.732
where: short stacking energy: -8.732
Base-Backbone interact. energy: -0.000
local terms energy: -19.184020
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -3.289
flat angles P-C4'-P energy: -3.806
tors. eta vs tors. theta energy: -2.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -24.084039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.084039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.084039 (E_RNA)
where:
Base-Base interactions energy: -10.567
where: short stacking energy: -10.567
Base-Backbone interact. energy: -0.021
local terms energy: -13.495806
where:
bonds (distance) C4'-P energy: -3.152
bonds (distance) P-C4' energy: -4.053
flat angles C4'-P-C4' energy: -3.542
flat angles P-C4'-P energy: -2.719
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: 1, replica: 2
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -33.733766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.733766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.733766 (E_RNA)
where:
Base-Base interactions energy: -13.358
where: short stacking energy: -13.358
Base-Backbone interact. energy: -0.000
local terms energy: -20.375751
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -4.659
flat angles P-C4'-P energy: -3.582
tors. eta vs tors. theta energy: -2.869
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: 414
Temperature: 0.950000
Total energy: -37.501058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.501058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.501058 (E_RNA)
where:
Base-Base interactions energy: -16.096
where: short stacking energy: -16.096
Base-Backbone interact. energy: -0.000
local terms energy: -21.404635
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.624
flat angles C4'-P-C4' energy: -3.794
flat angles P-C4'-P energy: -3.448
tors. eta vs tors. theta energy: -5.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -28.628952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.628952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.628952 (E_RNA)
where:
Base-Base interactions energy: -12.755
where: short stacking energy: -7.230
Base-Backbone interact. energy: -0.025
local terms energy: -15.848720
where:
bonds (distance) C4'-P energy: -3.078
bonds (distance) P-C4' energy: -4.413
flat angles C4'-P-C4' energy: -4.311
flat angles P-C4'-P energy: -3.594
tors. eta vs tors. theta energy: -0.453
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: 5
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -32.029957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.029957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.029957 (E_RNA)
where:
Base-Base interactions energy: -12.208
where: short stacking energy: -12.208
Base-Backbone interact. energy: -0.000
local terms energy: -19.821549
where:
bonds (distance) C4'-P energy: -3.745
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.407
flat angles P-C4'-P energy: -1.091
tors. eta vs tors. theta energy: -5.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -29.074186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.074186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.074186 (E_RNA)
where:
Base-Base interactions energy: -13.217
where: short stacking energy: -13.217
Base-Backbone interact. energy: -0.000
local terms energy: -15.856905
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -4.336
flat angles C4'-P-C4' energy: -3.497
flat angles P-C4'-P energy: -0.501
tors. eta vs tors. theta energy: -3.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -26.002137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.002137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.002137 (E_RNA)
where:
Base-Base interactions energy: -8.699
where: short stacking energy: -8.699
Base-Backbone interact. energy: -0.000
local terms energy: -17.303502
where:
bonds (distance) C4'-P energy: -3.699
bonds (distance) P-C4' energy: -4.606
flat angles C4'-P-C4' energy: -4.376
flat angles P-C4'-P energy: -2.185
tors. eta vs tors. theta energy: -2.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -29.966013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.966013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.966013 (E_RNA)
where:
Base-Base interactions energy: -11.196
where: short stacking energy: -11.196
Base-Backbone interact. energy: -0.000
local terms energy: -18.770162
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -3.870
flat angles C4'-P-C4' energy: -4.085
flat angles P-C4'-P energy: -2.106
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: 8, replica: 1
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -24.667583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.667583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.667583 (E_RNA)
where:
Base-Base interactions energy: -8.991
where: short stacking energy: -8.991
Base-Backbone interact. energy: -0.086
local terms energy: -15.590454
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -3.726
flat angles C4'-P-C4' energy: -3.710
flat angles P-C4'-P energy: -3.102
tors. eta vs tors. theta energy: -0.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -25.638534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.638534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.638534 (E_RNA)
where:
Base-Base interactions energy: -8.230
where: short stacking energy: -8.230
Base-Backbone interact. energy: 0.752
local terms energy: -18.161023
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -4.674
flat angles P-C4'-P energy: -3.632
tors. eta vs tors. theta energy: -1.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -26.818820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.818820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.818820 (E_RNA)
where:
Base-Base interactions energy: -11.395
where: short stacking energy: -11.395
Base-Backbone interact. energy: -0.001
local terms energy: -15.422235
where:
bonds (distance) C4'-P energy: -2.846
bonds (distance) P-C4' energy: -3.751
flat angles C4'-P-C4' energy: -3.538
flat angles P-C4'-P energy: -3.415
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: 2
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -31.941070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.941070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.941070 (E_RNA)
where:
Base-Base interactions energy: -12.774
where: short stacking energy: -12.774
Base-Backbone interact. energy: -0.000
local terms energy: -19.166730
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.510
flat angles P-C4'-P energy: -2.122
tors. eta vs tors. theta energy: -3.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -30.576918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.576918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.576918 (E_RNA)
where:
Base-Base interactions energy: -12.976
where: short stacking energy: -9.180
Base-Backbone interact. energy: -0.024
local terms energy: -17.577412
where:
bonds (distance) C4'-P energy: -3.923
bonds (distance) P-C4' energy: -4.649
flat angles C4'-P-C4' energy: -3.886
flat angles P-C4'-P energy: -3.072
tors. eta vs tors. theta energy: -2.047
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: 7
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -33.307465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.307465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.307465 (E_RNA)
where:
Base-Base interactions energy: -12.857
where: short stacking energy: -12.857
Base-Backbone interact. energy: -0.000
local terms energy: -20.450319
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.839
flat angles P-C4'-P energy: -3.285
tors. eta vs tors. theta energy: -4.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -32.851064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.851064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.851064 (E_RNA)
where:
Base-Base interactions energy: -16.676
where: short stacking energy: -7.662
Base-Backbone interact. energy: -0.000
local terms energy: -16.174918
where:
bonds (distance) C4'-P energy: -3.753
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -2.855
flat angles P-C4'-P energy: -2.792
tors. eta vs tors. theta energy: -1.657
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: 5
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -35.494859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.494859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.494859 (E_RNA)
where:
Base-Base interactions energy: -13.550
where: short stacking energy: -13.550
Base-Backbone interact. energy: -0.000
local terms energy: -21.945109
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -4.430
flat angles P-C4'-P energy: -3.180
tors. eta vs tors. theta energy: -4.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -31.454270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.454270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.454270 (E_RNA)
where:
Base-Base interactions energy: -13.715
where: short stacking energy: -13.715
Base-Backbone interact. energy: -0.000
local terms energy: -17.739100
where:
bonds (distance) C4'-P energy: -2.270
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -4.674
flat angles P-C4'-P energy: -2.776
tors. eta vs tors. theta energy: -3.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -26.407697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.407697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.407697 (E_RNA)
where:
Base-Base interactions energy: -10.145
where: short stacking energy: -8.002
Base-Backbone interact. energy: -1.217
local terms energy: -15.045376
where:
bonds (distance) C4'-P energy: -4.163
bonds (distance) P-C4' energy: -3.885
flat angles C4'-P-C4' energy: -3.978
flat angles P-C4'-P energy: -2.662
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: 8, replica: 6
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -29.807512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.807512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.807512 (E_RNA)
where:
Base-Base interactions energy: -10.955
where: short stacking energy: -10.955
Base-Backbone interact. energy: -0.000
local terms energy: -18.852135
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -3.902
flat angles P-C4'-P energy: -2.726
tors. eta vs tors. theta energy: -3.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -26.946250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.946250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.946250 (E_RNA)
where:
Base-Base interactions energy: -7.610
where: short stacking energy: -7.610
Base-Backbone interact. energy: -0.000
local terms energy: -19.336665
where:
bonds (distance) C4'-P energy: -4.303
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.572
flat angles P-C4'-P energy: -1.189
tors. eta vs tors. theta energy: -4.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -28.679154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.679154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.679154 (E_RNA)
where:
Base-Base interactions energy: -9.783
where: short stacking energy: -9.783
Base-Backbone interact. energy: -0.000
local terms energy: -18.896070
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -2.874
flat angles C4'-P-C4' energy: -4.188
flat angles P-C4'-P energy: -3.770
tors. eta vs tors. theta energy: -3.670
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: 416
Temperature: 0.900000
Total energy: -31.206636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.206636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.206636 (E_RNA)
where:
Base-Base interactions energy: -13.186
where: short stacking energy: -13.186
Base-Backbone interact. energy: -0.014
local terms energy: -18.006560
where:
bonds (distance) C4'-P energy: -2.797
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.724
flat angles P-C4'-P energy: -3.271
tors. eta vs tors. theta energy: -3.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -33.531464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.531464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.531464 (E_RNA)
where:
Base-Base interactions energy: -17.828
where: short stacking energy: -8.844
Base-Backbone interact. energy: -0.012
local terms energy: -15.690915
where:
bonds (distance) C4'-P energy: -2.130
bonds (distance) P-C4' energy: -4.202
flat angles C4'-P-C4' energy: -2.370
flat angles P-C4'-P energy: -3.644
tors. eta vs tors. theta energy: -3.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -32.030330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.030330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.030330 (E_RNA)
where:
Base-Base interactions energy: -13.760
where: short stacking energy: -13.760
Base-Backbone interact. energy: -0.002
local terms energy: -18.267699
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -3.855
flat angles P-C4'-P energy: -2.390
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: 4, replica: 7
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -28.952792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.952792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.952792 (E_RNA)
where:
Base-Base interactions energy: -12.655
where: short stacking energy: -12.655
Base-Backbone interact. energy: -0.001
local terms energy: -16.296729
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -3.815
flat angles C4'-P-C4' energy: -4.402
flat angles P-C4'-P energy: -2.786
tors. eta vs tors. theta energy: -1.193
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: 8
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -31.676687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.676687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.676687 (E_RNA)
where:
Base-Base interactions energy: -14.414
where: short stacking energy: -14.414
Base-Backbone interact. energy: -0.000
local terms energy: -17.262286
where:
bonds (distance) C4'-P energy: -2.859
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.687
flat angles P-C4'-P energy: -1.602
tors. eta vs tors. theta energy: -3.680
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: 5
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -28.373526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.373526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.373526 (E_RNA)
where:
Base-Base interactions energy: -10.007
where: short stacking energy: -10.007
Base-Backbone interact. energy: -0.001
local terms energy: -18.366352
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -4.277
flat angles P-C4'-P energy: -3.200
tors. eta vs tors. theta energy: -1.622
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: 6
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -25.412590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.412590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.412590 (E_RNA)
where:
Base-Base interactions energy: -7.504
where: short stacking energy: -7.504
Base-Backbone interact. energy: -0.000
local terms energy: -17.908535
where:
bonds (distance) C4'-P energy: -3.152
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -3.762
flat angles P-C4'-P energy: -3.009
tors. eta vs tors. theta energy: -3.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -27.141397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.141397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.141397 (E_RNA)
where:
Base-Base interactions energy: -10.263
where: short stacking energy: -10.263
Base-Backbone interact. energy: -0.000
local terms energy: -16.878228
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -3.833
flat angles P-C4'-P energy: -0.734
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: 3
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -25.292708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.292708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.292708 (E_RNA)
where:
Base-Base interactions energy: -10.387
where: short stacking energy: -10.387
Base-Backbone interact. energy: -0.000
local terms energy: -14.905598
where:
bonds (distance) C4'-P energy: -2.776
bonds (distance) P-C4' energy: -3.420
flat angles C4'-P-C4' energy: -3.926
flat angles P-C4'-P energy: -2.244
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: 416
Temperature: 1.350000
Total energy: -24.655742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.655742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.655742 (E_RNA)
where:
Base-Base interactions energy: -8.631
where: short stacking energy: -8.631
Base-Backbone interact. energy: -0.000
local terms energy: -16.024956
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -4.406
flat angles C4'-P-C4' energy: -3.602
flat angles P-C4'-P energy: -2.848
tors. eta vs tors. theta energy: -1.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -30.381943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.381943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.381943 (E_RNA)
where:
Base-Base interactions energy: -12.846
where: short stacking energy: -12.846
Base-Backbone interact. energy: -0.001
local terms energy: -17.534492
where:
bonds (distance) C4'-P energy: -3.306
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.430
flat angles P-C4'-P energy: -3.701
tors. eta vs tors. theta energy: -1.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -31.992731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.992731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.992731 (E_RNA)
where:
Base-Base interactions energy: -14.647
where: short stacking energy: -14.647
Base-Backbone interact. energy: -0.000
local terms energy: -17.346066
where:
bonds (distance) C4'-P energy: -3.363
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -4.292
flat angles P-C4'-P energy: -3.054
tors. eta vs tors. theta energy: -1.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -32.571656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.571656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.571656 (E_RNA)
where:
Base-Base interactions energy: -18.491
where: short stacking energy: -9.246
Base-Backbone interact. energy: -0.000
local terms energy: -14.080691
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -3.103
flat angles C4'-P-C4' energy: -2.657
flat angles P-C4'-P energy: -3.596
tors. eta vs tors. theta energy: -0.314
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: 4, replica: 8
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -33.354197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.354197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.354197 (E_RNA)
where:
Base-Base interactions energy: -12.232
where: short stacking energy: -12.232
Base-Backbone interact. energy: -0.000
local terms energy: -21.122139
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.433
flat angles P-C4'-P energy: -3.127
tors. eta vs tors. theta energy: -4.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -28.047801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.047801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.047801 (E_RNA)
where:
Base-Base interactions energy: -13.011
where: short stacking energy: -13.011
Base-Backbone interact. energy: -0.000
local terms energy: -15.036164
where:
bonds (distance) C4'-P energy: -2.175
bonds (distance) P-C4' energy: -4.649
flat angles C4'-P-C4' energy: -4.095
flat angles P-C4'-P energy: -2.142
tors. eta vs tors. theta energy: -1.974
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: 6
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -37.038773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.038773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.038773 (E_RNA)
where:
Base-Base interactions energy: -16.812
where: short stacking energy: -16.812
Base-Backbone interact. energy: -0.000
local terms energy: -20.226926
where:
bonds (distance) C4'-P energy: -3.753
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.357
flat angles P-C4'-P energy: -2.461
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: 7, replica: 5
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -28.063952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.063952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.063952 (E_RNA)
where:
Base-Base interactions energy: -10.334
where: short stacking energy: -10.334
Base-Backbone interact. energy: -0.000
local terms energy: -17.729477
where:
bonds (distance) C4'-P energy: -3.869
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.147
flat angles P-C4'-P energy: -2.186
tors. eta vs tors. theta energy: -2.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -28.651791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.651791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.651791 (E_RNA)
where:
Base-Base interactions energy: -12.186
where: short stacking energy: -12.186
Base-Backbone interact. energy: -0.000
local terms energy: -16.465517
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.321
flat angles P-C4'-P energy: -1.576
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: 9, replica: 10
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -27.585694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.585694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.585694 (E_RNA)
where:
Base-Base interactions energy: -11.484
where: short stacking energy: -11.484
Base-Backbone interact. energy: -0.000
local terms energy: -16.101898
where:
bonds (distance) C4'-P energy: -3.397
bonds (distance) P-C4' energy: -3.544
flat angles C4'-P-C4' energy: -3.168
flat angles P-C4'-P energy: -2.926
tors. eta vs tors. theta energy: -3.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -22.604221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.604221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.604221 (E_RNA)
where:
Base-Base interactions energy: -10.476
where: short stacking energy: -10.476
Base-Backbone interact. energy: -0.013
local terms energy: -12.115764
where:
bonds (distance) C4'-P energy: -3.372
bonds (distance) P-C4' energy: -3.748
flat angles C4'-P-C4' energy: -4.311
flat angles P-C4'-P energy: 0.910
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: 9
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -38.053121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.053121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.053121 (E_RNA)
where:
Base-Base interactions energy: -17.209
where: short stacking energy: -17.209
Base-Backbone interact. energy: -0.000
local terms energy: -20.843801
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -4.318
flat angles C4'-P-C4' energy: -3.282
flat angles P-C4'-P energy: -3.740
tors. eta vs tors. theta energy: -5.511
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: 418
Temperature: 0.950000
Total energy: -29.271014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.271014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.271014 (E_RNA)
where:
Base-Base interactions energy: -8.698
where: short stacking energy: -8.698
Base-Backbone interact. energy: -0.000
local terms energy: -20.572975
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -4.867
flat angles C4'-P-C4' energy: -4.875
flat angles P-C4'-P energy: -3.104
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: 3, replica: 8
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -33.678658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.678658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.678658 (E_RNA)
where:
Base-Base interactions energy: -15.873
where: short stacking energy: -11.315
Base-Backbone interact. energy: -0.000
local terms energy: -17.805628
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -3.793
flat angles C4'-P-C4' energy: -3.194
flat angles P-C4'-P energy: -3.525
tors. eta vs tors. theta energy: -2.767
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: 2
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -35.484563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.484563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.484563 (E_RNA)
where:
Base-Base interactions energy: -16.859
where: short stacking energy: -16.859
Base-Backbone interact. energy: -0.000
local terms energy: -18.625511
where:
bonds (distance) C4'-P energy: -3.148
bonds (distance) P-C4' energy: -3.553
flat angles C4'-P-C4' energy: -4.500
flat angles P-C4'-P energy: -2.394
tors. eta vs tors. theta energy: -5.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -25.934924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.934924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.934924 (E_RNA)
where:
Base-Base interactions energy: -7.351
where: short stacking energy: -7.351
Base-Backbone interact. energy: -0.000
local terms energy: -18.583865
where:
bonds (distance) C4'-P energy: -3.869
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -4.628
flat angles P-C4'-P energy: -2.760
tors. eta vs tors. theta energy: -2.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -28.941825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.941825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.941825 (E_RNA)
where:
Base-Base interactions energy: -12.488
where: short stacking energy: -12.488
Base-Backbone interact. energy: -0.000
local terms energy: -16.453423
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -4.406
flat angles C4'-P-C4' energy: -2.043
flat angles P-C4'-P energy: -3.124
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: 7, replica: 3
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -30.144236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.144236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.144236 (E_RNA)
where:
Base-Base interactions energy: -11.834
where: short stacking energy: -11.834
Base-Backbone interact. energy: -0.000
local terms energy: -18.310175
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -2.779
flat angles P-C4'-P energy: -2.447
tors. eta vs tors. theta energy: -3.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -29.954805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.954805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.954805 (E_RNA)
where:
Base-Base interactions energy: -10.581
where: short stacking energy: -10.581
Base-Backbone interact. energy: -0.000
local terms energy: -19.373992
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -4.221
flat angles P-C4'-P energy: -3.350
tors. eta vs tors. theta energy: -2.936
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: 10
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -32.499331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.499331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.499331 (E_RNA)
where:
Base-Base interactions energy: -11.928
where: short stacking energy: -11.928
Base-Backbone interact. energy: -0.000
local terms energy: -20.571747
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -3.781
flat angles P-C4'-P energy: -3.636
tors. eta vs tors. theta energy: -4.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -26.865967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.865967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.865967 (E_RNA)
where:
Base-Base interactions energy: -12.848
where: short stacking energy: -12.848
Base-Backbone interact. energy: -0.000
local terms energy: -14.018193
where:
bonds (distance) C4'-P energy: -3.042
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.663
flat angles P-C4'-P energy: 0.630
tors. eta vs tors. theta energy: -2.822
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: 9
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -34.916433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.916433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.916433 (E_RNA)
where:
Base-Base interactions energy: -13.543
where: short stacking energy: -13.543
Base-Backbone interact. energy: -0.000
local terms energy: -21.373110
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -3.987
flat angles C4'-P-C4' energy: -4.061
flat angles P-C4'-P energy: -3.631
tors. eta vs tors. theta energy: -5.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -35.283896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.283896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.283896 (E_RNA)
where:
Base-Base interactions energy: -16.435
where: short stacking energy: -16.435
Base-Backbone interact. energy: -0.000
local terms energy: -18.849012
where:
bonds (distance) C4'-P energy: -4.634
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -4.472
flat angles P-C4'-P energy: -1.344
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: 3, replica: 4
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -37.591804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.591804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.591804 (E_RNA)
where:
Base-Base interactions energy: -15.007
where: short stacking energy: -15.007
Base-Backbone interact. energy: -0.000
local terms energy: -22.584525
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.786
flat angles P-C4'-P energy: -3.085
tors. eta vs tors. theta energy: -5.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -31.634990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.634990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.634990 (E_RNA)
where:
Base-Base interactions energy: -11.311
where: short stacking energy: -11.311
Base-Backbone interact. energy: -0.000
local terms energy: -20.323783
where:
bonds (distance) C4'-P energy: -4.163
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.540
flat angles P-C4'-P energy: -3.395
tors. eta vs tors. theta energy: -2.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -27.091368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.091368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.091368 (E_RNA)
where:
Base-Base interactions energy: -9.695
where: short stacking energy: -9.355
Base-Backbone interact. energy: -0.000
local terms energy: -17.396700
where:
bonds (distance) C4'-P energy: -3.815
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.734
flat angles P-C4'-P energy: -1.573
tors. eta vs tors. theta energy: -3.153
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: 6, replica: 3
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -30.273675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.273675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.273675 (E_RNA)
where:
Base-Base interactions energy: -11.735
where: short stacking energy: -11.735
Base-Backbone interact. energy: -0.021
local terms energy: -18.517511
where:
bonds (distance) C4'-P energy: -3.487
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -4.060
flat angles P-C4'-P energy: -3.769
tors. eta vs tors. theta energy: -2.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -26.597753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.597753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.597753 (E_RNA)
where:
Base-Base interactions energy: -12.790
where: short stacking energy: -12.790
Base-Backbone interact. energy: 0.626
local terms energy: -14.433622
where:
bonds (distance) C4'-P energy: -3.691
bonds (distance) P-C4' energy: -4.339
flat angles C4'-P-C4' energy: -4.666
flat angles P-C4'-P energy: -0.356
tors. eta vs tors. theta energy: -1.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -27.163027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.163027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.163027 (E_RNA)
where:
Base-Base interactions energy: -8.223
where: short stacking energy: -6.757
Base-Backbone interact. energy: -0.005
local terms energy: -18.934655
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -4.174
flat angles C4'-P-C4' energy: -4.314
flat angles P-C4'-P energy: -2.750
tors. eta vs tors. theta energy: -3.403
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: 5
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -27.058245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.058245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.058245 (E_RNA)
where:
Base-Base interactions energy: -10.831
where: short stacking energy: -10.831
Base-Backbone interact. energy: -0.001
local terms energy: -16.226723
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.698
flat angles P-C4'-P energy: -2.120
tors. eta vs tors. theta energy: -1.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -29.363647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.363647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.363647 (E_RNA)
where:
Base-Base interactions energy: -9.993
where: short stacking energy: -9.993
Base-Backbone interact. energy: -0.000
local terms energy: -19.370430
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -4.311
flat angles C4'-P-C4' energy: -4.629
flat angles P-C4'-P energy: -3.489
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: 1, replica: 8
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -33.841053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.841053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.841053 (E_RNA)
where:
Base-Base interactions energy: -14.250
where: short stacking energy: -14.250
Base-Backbone interact. energy: -0.000
local terms energy: -19.591487
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.498
flat angles P-C4'-P energy: -3.547
tors. eta vs tors. theta energy: -3.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -36.318900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.318900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.318900 (E_RNA)
where:
Base-Base interactions energy: -16.896
where: short stacking energy: -16.896
Base-Backbone interact. energy: -0.000
local terms energy: -19.423263
where:
bonds (distance) C4'-P energy: -3.152
bonds (distance) P-C4' energy: -3.748
flat angles C4'-P-C4' energy: -3.904
flat angles P-C4'-P energy: -3.143
tors. eta vs tors. theta energy: -5.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -29.733602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.733602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.733602 (E_RNA)
where:
Base-Base interactions energy: -12.059
where: short stacking energy: -7.250
Base-Backbone interact. energy: -0.124
local terms energy: -17.550368
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.453
flat angles P-C4'-P energy: -3.084
tors. eta vs tors. theta energy: -0.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -29.073853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.073853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.073853 (E_RNA)
where:
Base-Base interactions energy: -10.708
where: short stacking energy: -10.708
Base-Backbone interact. energy: -0.000
local terms energy: -18.366217
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -2.606
flat angles C4'-P-C4' energy: -4.491
flat angles P-C4'-P energy: -3.362
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: 5, replica: 3
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -28.475572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.475572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.475572 (E_RNA)
where:
Base-Base interactions energy: -10.768
where: short stacking energy: -10.768
Base-Backbone interact. energy: -0.002
local terms energy: -17.705874
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -4.026
flat angles P-C4'-P energy: -2.156
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: 6, replica: 2
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -28.205527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.205527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.205527 (E_RNA)
where:
Base-Base interactions energy: -12.840
where: short stacking energy: -8.520
Base-Backbone interact. energy: -0.000
local terms energy: -15.364687
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -1.425
flat angles P-C4'-P energy: -3.453
tors. eta vs tors. theta energy: -1.305
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: 420
Temperature: 1.200000
Total energy: -33.977637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.977637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.977637 (E_RNA)
where:
Base-Base interactions energy: -16.769
where: short stacking energy: -7.221
Base-Backbone interact. energy: 0.398
local terms energy: -17.606885
where:
bonds (distance) C4'-P energy: -3.036
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -4.468
flat angles P-C4'-P energy: -2.601
tors. eta vs tors. theta energy: -2.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -25.029467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.029467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.029467 (E_RNA)
where:
Base-Base interactions energy: -10.280
where: short stacking energy: -10.280
Base-Backbone interact. energy: -0.000
local terms energy: -14.749634
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -1.407
flat angles P-C4'-P energy: -2.090
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: 1
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -32.154270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.154270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.154270 (E_RNA)
where:
Base-Base interactions energy: -13.680
where: short stacking energy: -13.680
Base-Backbone interact. energy: -0.000
local terms energy: -18.474498
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.051
flat angles C4'-P-C4' energy: -4.873
flat angles P-C4'-P energy: -2.856
tors. eta vs tors. theta energy: -2.587
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: 5
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -25.944709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.944709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.944709 (E_RNA)
where:
Base-Base interactions energy: -9.981
where: short stacking energy: -9.981
Base-Backbone interact. energy: -0.001
local terms energy: -15.963416
where:
bonds (distance) C4'-P energy: -3.745
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -1.096
flat angles P-C4'-P energy: -2.904
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: 1, replica: 8
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -32.702134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.702134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.702134 (E_RNA)
where:
Base-Base interactions energy: -14.137
where: short stacking energy: -14.137
Base-Backbone interact. energy: -0.000
local terms energy: -18.565424
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.177
flat angles C4'-P-C4' energy: -3.548
flat angles P-C4'-P energy: -3.892
tors. eta vs tors. theta energy: -2.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -31.793005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.793005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.793005 (E_RNA)
where:
Base-Base interactions energy: -11.339
where: short stacking energy: -11.339
Base-Backbone interact. energy: -0.000
local terms energy: -20.453540
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -4.044
flat angles P-C4'-P energy: -2.542
tors. eta vs tors. theta energy: -4.801
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: 9
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -29.828508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.828508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.828508 (E_RNA)
where:
Base-Base interactions energy: -13.105
where: short stacking energy: -13.105
Base-Backbone interact. energy: -0.001
local terms energy: -16.722831
where:
bonds (distance) C4'-P energy: -0.664
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -4.416
flat angles P-C4'-P energy: -2.994
tors. eta vs tors. theta energy: -3.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -32.132797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.132797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.132797 (E_RNA)
where:
Base-Base interactions energy: -13.452
where: short stacking energy: -8.335
Base-Backbone interact. energy: -0.027
local terms energy: -18.654095
where:
bonds (distance) C4'-P energy: -3.301
bonds (distance) P-C4' energy: -4.572
flat angles C4'-P-C4' energy: -4.203
flat angles P-C4'-P energy: -3.385
tors. eta vs tors. theta energy: -3.193
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: 4
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -30.235385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.235385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.235385 (E_RNA)
where:
Base-Base interactions energy: -12.665
where: short stacking energy: -12.665
Base-Backbone interact. energy: -0.002
local terms energy: -17.568327
where:
bonds (distance) C4'-P energy: -3.645
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -2.441
flat angles P-C4'-P energy: -3.092
tors. eta vs tors. theta energy: -3.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -28.036682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.036682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.036682 (E_RNA)
where:
Base-Base interactions energy: -9.486
where: short stacking energy: -9.486
Base-Backbone interact. energy: -0.057
local terms energy: -18.493225
where:
bonds (distance) C4'-P energy: -4.419
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -2.521
flat angles P-C4'-P energy: -3.355
tors. eta vs tors. theta energy: -3.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -27.228071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.228071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.228071 (E_RNA)
where:
Base-Base interactions energy: -11.813
where: short stacking energy: -11.624
Base-Backbone interact. energy: -0.000
local terms energy: -15.414999
where:
bonds (distance) C4'-P energy: -3.363
bonds (distance) P-C4' energy: -3.582
flat angles C4'-P-C4' energy: -3.416
flat angles P-C4'-P energy: -3.180
tors. eta vs tors. theta energy: -1.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -22.571483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.571483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.571483 (E_RNA)
where:
Base-Base interactions energy: -12.666
where: short stacking energy: -12.666
Base-Backbone interact. energy: -0.000
local terms energy: -9.905112
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: 0.328
flat angles C4'-P-C4' energy: -2.540
flat angles P-C4'-P energy: -3.957
tors. eta vs tors. theta energy: 0.489
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: 10
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -28.254716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.254716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.254716 (E_RNA)
where:
Base-Base interactions energy: -10.432
where: short stacking energy: -10.432
Base-Backbone interact. energy: -0.000
local terms energy: -17.822886
where:
bonds (distance) C4'-P energy: -1.890
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -3.446
flat angles P-C4'-P energy: -3.319
tors. eta vs tors. theta energy: -4.333
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: 10, replica: 5
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -24.584133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.584133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.584133 (E_RNA)
where:
Base-Base interactions energy: -8.930
where: short stacking energy: -8.930
Base-Backbone interact. energy: -0.104
local terms energy: -15.550176
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -3.578
flat angles C4'-P-C4' energy: -4.736
flat angles P-C4'-P energy: -2.717
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: 1, replica: 8
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -34.936101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.936101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.936101 (E_RNA)
where:
Base-Base interactions energy: -18.010
where: short stacking energy: -9.063
Base-Backbone interact. energy: -0.013
local terms energy: -16.912840
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.698
flat angles P-C4'-P energy: -0.183
tors. eta vs tors. theta energy: -3.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -40.372766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.372766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.372766 (E_RNA)
where:
Base-Base interactions energy: -18.107
where: short stacking energy: -18.107
Base-Backbone interact. energy: -0.000
local terms energy: -22.266221
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -4.939
flat angles P-C4'-P energy: -3.308
tors. eta vs tors. theta energy: -5.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -29.892358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.892358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.892358 (E_RNA)
where:
Base-Base interactions energy: -13.654
where: short stacking energy: -13.654
Base-Backbone interact. energy: -0.001
local terms energy: -16.236989
where:
bonds (distance) C4'-P energy: -3.699
bonds (distance) P-C4' energy: -3.777
flat angles C4'-P-C4' energy: -3.114
flat angles P-C4'-P energy: -2.372
tors. eta vs tors. theta energy: -3.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -30.869449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.869449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.869449 (E_RNA)
where:
Base-Base interactions energy: -13.182
where: short stacking energy: -13.182
Base-Backbone interact. energy: -0.000
local terms energy: -17.686987
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -3.503
flat angles P-C4'-P energy: -2.114
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: 5, replica: 7
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -26.754255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.754255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.754255 (E_RNA)
where:
Base-Base interactions energy: -8.929
where: short stacking energy: -8.929
Base-Backbone interact. energy: 1.014
local terms energy: -18.839789
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.854
flat angles P-C4'-P energy: -3.853
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: 6, replica: 4
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -31.980318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.980318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.980318 (E_RNA)
where:
Base-Base interactions energy: -14.276
where: short stacking energy: -14.276
Base-Backbone interact. energy: -0.000
local terms energy: -17.704274
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.342
flat angles P-C4'-P energy: -2.944
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: 7, replica: 1
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -27.845728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.845728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.845728 (E_RNA)
where:
Base-Base interactions energy: -11.739
where: short stacking energy: -11.739
Base-Backbone interact. energy: -0.055
local terms energy: -16.051060
where:
bonds (distance) C4'-P energy: -2.751
bonds (distance) P-C4' energy: -3.518
flat angles C4'-P-C4' energy: -3.992
flat angles P-C4'-P energy: -3.241
tors. eta vs tors. theta energy: -2.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -26.408711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.408711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.408711 (E_RNA)
where:
Base-Base interactions energy: -13.540
where: short stacking energy: -13.540
Base-Backbone interact. energy: -0.000
local terms energy: -12.869058
where:
bonds (distance) C4'-P energy: -1.811
bonds (distance) P-C4' energy: -3.301
flat angles C4'-P-C4' energy: -3.307
flat angles P-C4'-P energy: -1.908
tors. eta vs tors. theta energy: -2.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -23.686053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.686053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.686053 (E_RNA)
where:
Base-Base interactions energy: -7.524
where: short stacking energy: -7.509
Base-Backbone interact. energy: -0.000
local terms energy: -16.161827
where:
bonds (distance) C4'-P energy: -2.672
bonds (distance) P-C4' energy: -5.361
flat angles C4'-P-C4' energy: -3.522
flat angles P-C4'-P energy: -3.510
tors. eta vs tors. theta energy: -1.097
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: 10
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -27.119179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.119179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.119179 (E_RNA)
where:
Base-Base interactions energy: -9.155
where: short stacking energy: -9.155
Base-Backbone interact. energy: -0.000
local terms energy: -17.964238
where:
bonds (distance) C4'-P energy: -4.419
bonds (distance) P-C4' energy: -4.082
flat angles C4'-P-C4' energy: -3.208
flat angles P-C4'-P energy: -2.688
tors. eta vs tors. theta energy: -3.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -35.074387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.074387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.074387 (E_RNA)
where:
Base-Base interactions energy: -16.276
where: short stacking energy: -8.403
Base-Backbone interact. energy: -0.008
local terms energy: -18.791095
where:
bonds (distance) C4'-P energy: -3.923
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.481
flat angles P-C4'-P energy: -2.365
tors. eta vs tors. theta energy: -3.668
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: 2, replica: 6
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -38.052167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.052167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.052167 (E_RNA)
where:
Base-Base interactions energy: -18.356
where: short stacking energy: -18.356
Base-Backbone interact. energy: -0.000
local terms energy: -19.696556
where:
bonds (distance) C4'-P energy: -3.161
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -4.221
flat angles P-C4'-P energy: -2.627
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: 3, replica: 3
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -30.581750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.581750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.581750 (E_RNA)
where:
Base-Base interactions energy: -14.108
where: short stacking energy: -14.108
Base-Backbone interact. energy: -0.000
local terms energy: -16.474023
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -1.305
flat angles P-C4'-P energy: -2.802
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: 4, replica: 9
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -30.483035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.483035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.483035 (E_RNA)
where:
Base-Base interactions energy: -13.585
where: short stacking energy: -8.198
Base-Backbone interact. energy: -0.478
local terms energy: -16.420451
where:
bonds (distance) C4'-P energy: -4.154
bonds (distance) P-C4' energy: -4.624
flat angles C4'-P-C4' energy: -3.926
flat angles P-C4'-P energy: -2.183
tors. eta vs tors. theta energy: -1.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -27.940023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.940023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.940023 (E_RNA)
where:
Base-Base interactions energy: -11.823
where: short stacking energy: -11.823
Base-Backbone interact. energy: -0.000
local terms energy: -16.117021
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -3.272
flat angles C4'-P-C4' energy: -4.731
flat angles P-C4'-P energy: -2.351
tors. eta vs tors. theta energy: -1.762
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: 6, replica: 4
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -29.031431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.031431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.031431 (E_RNA)
where:
Base-Base interactions energy: -11.793
where: short stacking energy: -11.793
Base-Backbone interact. energy: -0.000
local terms energy: -17.238247
where:
bonds (distance) C4'-P energy: -4.634
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -1.537
flat angles P-C4'-P energy: -2.804
tors. eta vs tors. theta energy: -3.170
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: 1
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -24.965684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.965684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.965684 (E_RNA)
where:
Base-Base interactions energy: -7.973
where: short stacking energy: -7.973
Base-Backbone interact. energy: -0.000
local terms energy: -16.992077
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -3.287
flat angles C4'-P-C4' energy: -4.770
flat angles P-C4'-P energy: -4.006
tors. eta vs tors. theta energy: -0.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -26.569524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.569524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.569524 (E_RNA)
where:
Base-Base interactions energy: -9.020
where: short stacking energy: -5.352
Base-Backbone interact. energy: -0.015
local terms energy: -17.534993
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.123
flat angles P-C4'-P energy: -3.947
tors. eta vs tors. theta energy: -0.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -25.507100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.507100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.507100 (E_RNA)
where:
Base-Base interactions energy: -10.279
where: short stacking energy: -10.279
Base-Backbone interact. energy: -0.001
local terms energy: -15.227241
where:
bonds (distance) C4'-P energy: -3.045
bonds (distance) P-C4' energy: -3.751
flat angles C4'-P-C4' energy: -3.796
flat angles P-C4'-P energy: -1.871
tors. eta vs tors. theta energy: -2.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -26.969030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.969030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.969030 (E_RNA)
where:
Base-Base interactions energy: -11.073
where: short stacking energy: -11.073
Base-Backbone interact. energy: -0.000
local terms energy: -15.896393
where:
bonds (distance) C4'-P energy: -3.372
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -2.119
flat angles P-C4'-P energy: -2.237
tors. eta vs tors. theta energy: -3.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -32.357099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.357099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.357099 (E_RNA)
where:
Base-Base interactions energy: -12.417
where: short stacking energy: -12.417
Base-Backbone interact. energy: -0.000
local terms energy: -19.939782
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.184
flat angles P-C4'-P energy: -2.970
tors. eta vs tors. theta energy: -3.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -36.405761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.405761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.405761 (E_RNA)
where:
Base-Base interactions energy: -17.189
where: short stacking energy: -17.189
Base-Backbone interact. energy: -0.000
local terms energy: -19.216508
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -3.336
flat angles C4'-P-C4' energy: -4.375
flat angles P-C4'-P energy: -3.530
tors. eta vs tors. theta energy: -3.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -41.284599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.284599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.284599 (E_RNA)
where:
Base-Base interactions energy: -21.928
where: short stacking energy: -12.971
Base-Backbone interact. energy: -0.003
local terms energy: -19.353535
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.030
flat angles P-C4'-P energy: -2.779
tors. eta vs tors. theta energy: -2.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -32.443533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.443533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.443533 (E_RNA)
where:
Base-Base interactions energy: -11.865
where: short stacking energy: -11.865
Base-Backbone interact. energy: -0.000
local terms energy: -20.578734
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.025
flat angles P-C4'-P energy: -2.114
tors. eta vs tors. theta energy: -4.922
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: 4
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -29.459252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.459252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.459252 (E_RNA)
where:
Base-Base interactions energy: -12.629
where: short stacking energy: -12.629
Base-Backbone interact. energy: -0.000
local terms energy: -16.830604
where:
bonds (distance) C4'-P energy: -3.070
bonds (distance) P-C4' energy: -4.606
flat angles C4'-P-C4' energy: -3.499
flat angles P-C4'-P energy: -2.290
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: 6, replica: 7
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -29.163528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.163528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.163528 (E_RNA)
where:
Base-Base interactions energy: -12.900
where: short stacking energy: -12.900
Base-Backbone interact. energy: -0.000
local terms energy: -16.263419
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.569
flat angles C4'-P-C4' energy: -4.235
flat angles P-C4'-P energy: -1.263
tors. eta vs tors. theta energy: -1.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -26.318378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.318378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.318378 (E_RNA)
where:
Base-Base interactions energy: -10.719
where: short stacking energy: -10.719
Base-Backbone interact. energy: -0.000
local terms energy: -15.598824
where:
bonds (distance) C4'-P energy: -3.781
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -2.796
flat angles P-C4'-P energy: -2.336
tors. eta vs tors. theta energy: -1.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -26.788175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.788175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.788175 (E_RNA)
where:
Base-Base interactions energy: -13.331
where: short stacking energy: -6.916
Base-Backbone interact. energy: -0.875
local terms energy: -12.582448
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -1.557
flat angles C4'-P-C4' energy: -3.054
flat angles P-C4'-P energy: -3.028
tors. eta vs tors. theta energy: -1.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -24.699264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.699264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.699264 (E_RNA)
where:
Base-Base interactions energy: -8.488
where: short stacking energy: -8.488
Base-Backbone interact. energy: -0.001
local terms energy: -16.209999
where:
bonds (distance) C4'-P energy: -3.417
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.222
flat angles P-C4'-P energy: -1.546
tors. eta vs tors. theta energy: -1.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -22.620030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.620030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.620030 (E_RNA)
where:
Base-Base interactions energy: -11.341
where: short stacking energy: -11.341
Base-Backbone interact. energy: -0.000
local terms energy: -11.279143
where:
bonds (distance) C4'-P energy: -3.923
bonds (distance) P-C4' energy: -2.391
flat angles C4'-P-C4' energy: -0.627
flat angles P-C4'-P energy: -3.007
tors. eta vs tors. theta energy: -1.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -34.932043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.932043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.932043 (E_RNA)
where:
Base-Base interactions energy: -16.332
where: short stacking energy: -16.332
Base-Backbone interact. energy: -0.000
local terms energy: -18.600421
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -4.083
flat angles P-C4'-P energy: -3.040
tors. eta vs tors. theta energy: -2.456
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: 9
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -36.046644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.046644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.046644 (E_RNA)
where:
Base-Base interactions energy: -15.717
where: short stacking energy: -15.717
Base-Backbone interact. energy: -0.000
local terms energy: -20.329315
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.261
flat angles P-C4'-P energy: -3.368
tors. eta vs tors. theta energy: -3.817
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: 8
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -35.775929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.775929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.775929 (E_RNA)
where:
Base-Base interactions energy: -16.059
where: short stacking energy: -16.059
Base-Backbone interact. energy: -0.000
local terms energy: -19.716614
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.968
flat angles P-C4'-P energy: -1.298
tors. eta vs tors. theta energy: -5.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -30.033586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.033586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.033586 (E_RNA)
where:
Base-Base interactions energy: -11.292
where: short stacking energy: -11.292
Base-Backbone interact. energy: -0.000
local terms energy: -18.741579
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.555
flat angles P-C4'-P energy: -3.319
tors. eta vs tors. theta energy: -1.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -30.550624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.550624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.550624 (E_RNA)
where:
Base-Base interactions energy: -12.208
where: short stacking energy: -12.208
Base-Backbone interact. energy: -0.000
local terms energy: -18.342399
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.395
flat angles P-C4'-P energy: -2.905
tors. eta vs tors. theta energy: -1.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -26.888810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.888810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.888810 (E_RNA)
where:
Base-Base interactions energy: -9.763
where: short stacking energy: -9.763
Base-Backbone interact. energy: -0.002
local terms energy: -17.124419
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -3.875
flat angles P-C4'-P energy: -2.400
tors. eta vs tors. theta energy: -1.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -26.236860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.236860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.236860 (E_RNA)
where:
Base-Base interactions energy: -9.441
where: short stacking energy: -9.441
Base-Backbone interact. energy: -0.001
local terms energy: -16.794734
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -3.412
flat angles P-C4'-P energy: -3.230
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: 8, replica: 10
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -23.474265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.474265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.474265 (E_RNA)
where:
Base-Base interactions energy: -10.912
where: short stacking energy: -10.912
Base-Backbone interact. energy: 0.057
local terms energy: -12.619153
where:
bonds (distance) C4'-P energy: -1.501
bonds (distance) P-C4' energy: -1.252
flat angles C4'-P-C4' energy: -4.540
flat angles P-C4'-P energy: -3.400
tors. eta vs tors. theta energy: -1.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -25.820028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.820028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.820028 (E_RNA)
where:
Base-Base interactions energy: -12.119
where: short stacking energy: -7.624
Base-Backbone interact. energy: -0.001
local terms energy: -13.700423
where:
bonds (distance) C4'-P energy: -1.766
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -2.714
flat angles P-C4'-P energy: -2.811
tors. eta vs tors. theta energy: -1.974
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: 10, replica: 2
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -26.026833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.026833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.026833 (E_RNA)
where:
Base-Base interactions energy: -9.750
where: short stacking energy: -4.096
Base-Backbone interact. energy: -0.014
local terms energy: -16.262746
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -5.361
flat angles C4'-P-C4' energy: -3.663
flat angles P-C4'-P energy: -1.763
tors. eta vs tors. theta energy: -1.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -38.672427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.672427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.672427 (E_RNA)
where:
Base-Base interactions energy: -17.465
where: short stacking energy: -17.465
Base-Backbone interact. energy: -0.000
local terms energy: -21.207827
where:
bonds (distance) C4'-P energy: -3.194
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -4.539
flat angles P-C4'-P energy: -3.854
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: 2, replica: 9
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -34.404884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.404884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.404884 (E_RNA)
where:
Base-Base interactions energy: -14.878
where: short stacking energy: -14.878
Base-Backbone interact. energy: -0.000
local terms energy: -19.526830
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.416
flat angles C4'-P-C4' energy: -4.475
flat angles P-C4'-P energy: -2.812
tors. eta vs tors. theta energy: -3.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -26.551701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.551701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.551701 (E_RNA)
where:
Base-Base interactions energy: -10.066
where: short stacking energy: -10.066
Base-Backbone interact. energy: -0.113
local terms energy: -16.372495
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -2.040
flat angles P-C4'-P energy: -3.670
tors. eta vs tors. theta energy: -2.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -31.081103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.081103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.081103 (E_RNA)
where:
Base-Base interactions energy: -11.314
where: short stacking energy: -11.314
Base-Backbone interact. energy: -0.000
local terms energy: -19.767077
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -3.557
flat angles C4'-P-C4' energy: -4.860
flat angles P-C4'-P energy: -2.935
tors. eta vs tors. theta energy: -4.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -34.035326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.035326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.035326 (E_RNA)
where:
Base-Base interactions energy: -16.194
where: short stacking energy: -16.194
Base-Backbone interact. energy: -0.000
local terms energy: -17.841800
where:
bonds (distance) C4'-P energy: -2.510
bonds (distance) P-C4' energy: -4.832
flat angles C4'-P-C4' energy: -4.241
flat angles P-C4'-P energy: -1.571
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: 6, replica: 3
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -27.608452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.608452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.608452 (E_RNA)
where:
Base-Base interactions energy: -13.639
where: short stacking energy: -13.639
Base-Backbone interact. energy: -0.000
local terms energy: -13.969114
where:
bonds (distance) C4'-P energy: -3.372
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -3.898
flat angles P-C4'-P energy: -1.318
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: 7, replica: 10
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -27.780664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.780664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.780664 (E_RNA)
where:
Base-Base interactions energy: -11.609
where: short stacking energy: -11.609
Base-Backbone interact. energy: -0.000
local terms energy: -16.171172
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -3.075
flat angles C4'-P-C4' energy: -4.481
flat angles P-C4'-P energy: -2.257
tors. eta vs tors. theta energy: -2.064
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: 7
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -24.721598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.721598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.721598 (E_RNA)
where:
Base-Base interactions energy: -8.262
where: short stacking energy: -8.262
Base-Backbone interact. energy: -0.000
local terms energy: -16.459373
where:
bonds (distance) C4'-P energy: -2.510
bonds (distance) P-C4' energy: -4.410
flat angles C4'-P-C4' energy: -3.805
flat angles P-C4'-P energy: -2.451
tors. eta vs tors. theta energy: -3.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -27.828782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.828782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.828782 (E_RNA)
where:
Base-Base interactions energy: -12.601
where: short stacking energy: -12.601
Base-Backbone interact. energy: -0.074
local terms energy: -15.153835
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -3.889
flat angles C4'-P-C4' energy: -4.419
flat angles P-C4'-P energy: -1.193
tors. eta vs tors. theta energy: -1.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -28.387191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.387191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.387191 (E_RNA)
where:
Base-Base interactions energy: -12.609
where: short stacking energy: -12.609
Base-Backbone interact. energy: -0.003
local terms energy: -15.774507
where:
bonds (distance) C4'-P energy: -3.459
bonds (distance) P-C4' energy: -3.382
flat angles C4'-P-C4' energy: -4.505
flat angles P-C4'-P energy: -2.610
tors. eta vs tors. theta energy: -1.817
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: 6
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -32.995524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.995524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.995524 (E_RNA)
where:
Base-Base interactions energy: -17.354
where: short stacking energy: -9.112
Base-Backbone interact. energy: -0.497
local terms energy: -15.144140
where:
bonds (distance) C4'-P energy: -3.363
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -3.332
flat angles P-C4'-P energy: -3.330
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: 2, replica: 9
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -27.536456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.536456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.536456 (E_RNA)
where:
Base-Base interactions energy: -9.122
where: short stacking energy: -9.122
Base-Backbone interact. energy: -0.000
local terms energy: -18.414824
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.054
flat angles P-C4'-P energy: -3.816
tors. eta vs tors. theta energy: -2.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -27.470903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.470903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.470903 (E_RNA)
where:
Base-Base interactions energy: -9.006
where: short stacking energy: -9.006
Base-Backbone interact. energy: -0.000
local terms energy: -18.464823
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.410
flat angles C4'-P-C4' energy: -4.536
flat angles P-C4'-P energy: -3.772
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: 4, replica: 8
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -27.893124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.893124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.893124 (E_RNA)
where:
Base-Base interactions energy: -12.045
where: short stacking energy: -12.045
Base-Backbone interact. energy: -0.001
local terms energy: -15.846652
where:
bonds (distance) C4'-P energy: -3.815
bonds (distance) P-C4' energy: -4.410
flat angles C4'-P-C4' energy: -4.335
flat angles P-C4'-P energy: -1.392
tors. eta vs tors. theta energy: -1.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -30.093259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.093259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.093259 (E_RNA)
where:
Base-Base interactions energy: -13.904
where: short stacking energy: -13.904
Base-Backbone interact. energy: -0.000
local terms energy: -16.189670
where:
bonds (distance) C4'-P energy: -2.900
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -3.309
flat angles P-C4'-P energy: -2.048
tors. eta vs tors. theta energy: -3.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -26.861934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.861934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.861934 (E_RNA)
where:
Base-Base interactions energy: -10.672
where: short stacking energy: -10.672
Base-Backbone interact. energy: -0.000
local terms energy: -16.190174
where:
bonds (distance) C4'-P energy: -3.036
bonds (distance) P-C4' energy: -4.044
flat angles C4'-P-C4' energy: -2.658
flat angles P-C4'-P energy: -3.901
tors. eta vs tors. theta energy: -2.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -38.430388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.430388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.430388 (E_RNA)
where:
Base-Base interactions energy: -17.675
where: short stacking energy: -17.675
Base-Backbone interact. energy: -0.000
local terms energy: -20.755319
where:
bonds (distance) C4'-P energy: -4.038
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.544
flat angles P-C4'-P energy: -1.993
tors. eta vs tors. theta energy: -5.087
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: 8, replica: 2
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -25.698997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.698997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.698997 (E_RNA)
where:
Base-Base interactions energy: -11.098
where: short stacking energy: -8.343
Base-Backbone interact. energy: -0.019
local terms energy: -14.582445
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -3.506
flat angles P-C4'-P energy: -2.135
tors. eta vs tors. theta energy: -0.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -26.089265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.089265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.089265 (E_RNA)
where:
Base-Base interactions energy: -9.287
where: short stacking energy: -8.445
Base-Backbone interact. energy: -0.000
local terms energy: -16.802037
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.446
flat angles P-C4'-P energy: -0.750
tors. eta vs tors. theta energy: -3.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -25.702538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.702538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.702538 (E_RNA)
where:
Base-Base interactions energy: -8.275
where: short stacking energy: -8.275
Base-Backbone interact. energy: -0.019
local terms energy: -17.408351
where:
bonds (distance) C4'-P energy: -2.565
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -3.201
flat angles P-C4'-P energy: -3.747
tors. eta vs tors. theta energy: -3.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -29.990722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.990722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.990722 (E_RNA)
where:
Base-Base interactions energy: -13.145
where: short stacking energy: -13.145
Base-Backbone interact. energy: -0.000
local terms energy: -16.845889
where:
bonds (distance) C4'-P energy: -4.233
bonds (distance) P-C4' energy: -4.603
flat angles C4'-P-C4' energy: -4.289
flat angles P-C4'-P energy: -2.210
tors. eta vs tors. theta energy: -1.511
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: 428
Temperature: 0.950000
Total energy: -36.950256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.950256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.950256 (E_RNA)
where:
Base-Base interactions energy: -15.897
where: short stacking energy: -15.897
Base-Backbone interact. energy: -0.000
local terms energy: -21.053176
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.702
flat angles P-C4'-P energy: -2.504
tors. eta vs tors. theta energy: -4.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -31.363114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.363114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.363114 (E_RNA)
where:
Base-Base interactions energy: -13.194
where: short stacking energy: -13.194
Base-Backbone interact. energy: -0.001
local terms energy: -18.168077
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.603
flat angles C4'-P-C4' energy: -4.174
flat angles P-C4'-P energy: -3.594
tors. eta vs tors. theta energy: -1.688
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: 4
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -32.370500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.370500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.370500 (E_RNA)
where:
Base-Base interactions energy: -15.106
where: short stacking energy: -15.106
Base-Backbone interact. energy: -0.000
local terms energy: -17.264679
where:
bonds (distance) C4'-P energy: -2.626
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -1.928
flat angles P-C4'-P energy: -3.691
tors. eta vs tors. theta energy: -4.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -29.286561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.286561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.286561 (E_RNA)
where:
Base-Base interactions energy: -10.947
where: short stacking energy: -10.947
Base-Backbone interact. energy: -0.000
local terms energy: -18.339046
where:
bonds (distance) C4'-P energy: -2.395
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.432
flat angles P-C4'-P energy: -3.892
tors. eta vs tors. theta energy: -2.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -27.071601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.071601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.071601 (E_RNA)
where:
Base-Base interactions energy: -8.805
where: short stacking energy: -8.805
Base-Backbone interact. energy: -0.000
local terms energy: -18.266479
where:
bonds (distance) C4'-P energy: -2.730
bonds (distance) P-C4' energy: -3.518
flat angles C4'-P-C4' energy: -4.258
flat angles P-C4'-P energy: -3.903
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: 2
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -31.814109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.814109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.814109 (E_RNA)
where:
Base-Base interactions energy: -14.393
where: short stacking energy: -14.393
Base-Backbone interact. energy: -0.000
local terms energy: -17.421509
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.054
flat angles C4'-P-C4' energy: -2.915
flat angles P-C4'-P energy: -3.766
tors. eta vs tors. theta energy: -2.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -32.435243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.435243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.435243 (E_RNA)
where:
Base-Base interactions energy: -11.667
where: short stacking energy: -11.667
Base-Backbone interact. energy: -0.000
local terms energy: -20.767848
where:
bonds (distance) C4'-P energy: -4.634
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.994
flat angles P-C4'-P energy: -3.137
tors. eta vs tors. theta energy: -3.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -28.404458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.404458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.404458 (E_RNA)
where:
Base-Base interactions energy: -11.790
where: short stacking energy: -11.790
Base-Backbone interact. energy: -0.000
local terms energy: -16.614499
where:
bonds (distance) C4'-P energy: -1.712
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -3.481
flat angles P-C4'-P energy: -3.616
tors. eta vs tors. theta energy: -2.942
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: 10, replica: 7
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -26.323152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.323152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.323152 (E_RNA)
where:
Base-Base interactions energy: -9.609
where: short stacking energy: -9.609
Base-Backbone interact. energy: -0.000
local terms energy: -16.713773
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.726
flat angles P-C4'-P energy: -2.495
tors. eta vs tors. theta energy: -0.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -35.703156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.703156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.703156 (E_RNA)
where:
Base-Base interactions energy: -15.049
where: short stacking energy: -15.049
Base-Backbone interact. energy: -0.000
local terms energy: -20.654104
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -3.316
flat angles P-C4'-P energy: -3.441
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: 2, replica: 8
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -34.906934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.906934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.906934 (E_RNA)
where:
Base-Base interactions energy: -12.706
where: short stacking energy: -12.706
Base-Backbone interact. energy: -0.000
local terms energy: -22.200435
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.205
flat angles P-C4'-P energy: -3.587
tors. eta vs tors. theta energy: -4.938
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: 429
Temperature: 1.000000
Total energy: -34.670906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.670906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.670906 (E_RNA)
where:
Base-Base interactions energy: -13.712
where: short stacking energy: -13.712
Base-Backbone interact. energy: -0.000
local terms energy: -20.958518
where:
bonds (distance) C4'-P energy: -3.637
bonds (distance) P-C4' energy: -4.202
flat angles C4'-P-C4' energy: -4.242
flat angles P-C4'-P energy: -3.685
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: 10
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -32.687200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.687200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.687200 (E_RNA)
where:
Base-Base interactions energy: -13.846
where: short stacking energy: -13.846
Base-Backbone interact. energy: -0.000
local terms energy: -18.840845
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -3.889
flat angles C4'-P-C4' energy: -4.008
flat angles P-C4'-P energy: -3.418
tors. eta vs tors. theta energy: -3.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -30.496858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.496858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.496858 (E_RNA)
where:
Base-Base interactions energy: -12.909
where: short stacking energy: -12.909
Base-Backbone interact. energy: -0.000
local terms energy: -17.587656
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -2.389
flat angles P-C4'-P energy: -1.437
tors. eta vs tors. theta energy: -4.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -31.007927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.007927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.007927 (E_RNA)
where:
Base-Base interactions energy: -11.248
where: short stacking energy: -11.248
Base-Backbone interact. energy: -0.000
local terms energy: -19.759652
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -3.283
flat angles P-C4'-P energy: -3.374
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: 7, replica: 5
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -30.032836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.032836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.032836 (E_RNA)
where:
Base-Base interactions energy: -13.385
where: short stacking energy: -13.385
Base-Backbone interact. energy: -0.000
local terms energy: -16.647836
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -2.448
flat angles C4'-P-C4' energy: -3.480
flat angles P-C4'-P energy: -1.838
tors. eta vs tors. theta energy: -4.480
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: 8, replica: 1
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -26.272383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.272383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.272383 (E_RNA)
where:
Base-Base interactions energy: -9.573
where: short stacking energy: -9.573
Base-Backbone interact. energy: -0.074
local terms energy: -16.625855
where:
bonds (distance) C4'-P energy: -2.672
bonds (distance) P-C4' energy: -4.047
flat angles C4'-P-C4' energy: -3.041
flat angles P-C4'-P energy: -2.789
tors. eta vs tors. theta energy: -4.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -23.982530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.982530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.982530 (E_RNA)
where:
Base-Base interactions energy: -6.778
where: short stacking energy: -6.778
Base-Backbone interact. energy: -0.019
local terms energy: -17.185979
where:
bonds (distance) C4'-P energy: -4.303
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -4.629
flat angles P-C4'-P energy: -2.036
tors. eta vs tors. theta energy: -1.780
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: 429
Temperature: 1.350000
Total energy: -23.167414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.167414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.167414 (E_RNA)
where:
Base-Base interactions energy: -7.206
where: short stacking energy: -7.206
Base-Backbone interact. energy: -0.000
local terms energy: -15.960963
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -1.858
flat angles C4'-P-C4' energy: -4.500
flat angles P-C4'-P energy: -3.338
tors. eta vs tors. theta energy: -2.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -31.711591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.711591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.711591 (E_RNA)
where:
Base-Base interactions energy: -13.572
where: short stacking energy: -13.572
Base-Backbone interact. energy: -0.182
local terms energy: -17.957133
where:
bonds (distance) C4'-P energy: -3.152
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -4.540
flat angles P-C4'-P energy: -3.490
tors. eta vs tors. theta energy: -1.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -31.397792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.397792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.397792 (E_RNA)
where:
Base-Base interactions energy: -11.345
where: short stacking energy: -11.345
Base-Backbone interact. energy: -0.000
local terms energy: -20.053019
where:
bonds (distance) C4'-P energy: -2.988
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.394
flat angles P-C4'-P energy: -2.704
tors. eta vs tors. theta energy: -4.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -37.704222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.704222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.704222 (E_RNA)
where:
Base-Base interactions energy: -16.376
where: short stacking energy: -16.376
Base-Backbone interact. energy: -0.000
local terms energy: -21.327780
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.629
flat angles P-C4'-P energy: -2.814
tors. eta vs tors. theta energy: -4.496
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: 4, replica: 10
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -34.139326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.139326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.139326 (E_RNA)
where:
Base-Base interactions energy: -14.622
where: short stacking energy: -14.622
Base-Backbone interact. energy: -0.000
local terms energy: -19.517541
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.406
flat angles C4'-P-C4' energy: -3.343
flat angles P-C4'-P energy: -3.203
tors. eta vs tors. theta energy: -4.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -29.474792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.474792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.474792 (E_RNA)
where:
Base-Base interactions energy: -8.465
where: short stacking energy: -8.465
Base-Backbone interact. energy: -0.000
local terms energy: -21.009883
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -4.805
flat angles P-C4'-P energy: -2.788
tors. eta vs tors. theta energy: -3.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -31.683130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.683130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.683130 (E_RNA)
where:
Base-Base interactions energy: -13.910
where: short stacking energy: -13.910
Base-Backbone interact. energy: -0.000
local terms energy: -17.772719
where:
bonds (distance) C4'-P energy: -0.333
bonds (distance) P-C4' energy: -4.624
flat angles C4'-P-C4' energy: -4.574
flat angles P-C4'-P energy: -3.166
tors. eta vs tors. theta energy: -5.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -32.175373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.175373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.175373 (E_RNA)
where:
Base-Base interactions energy: -12.987
where: short stacking energy: -12.987
Base-Backbone interact. energy: -0.000
local terms energy: -19.188469
where:
bonds (distance) C4'-P energy: -3.479
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -4.170
flat angles P-C4'-P energy: -3.106
tors. eta vs tors. theta energy: -3.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -24.547833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.547833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.547833 (E_RNA)
where:
Base-Base interactions energy: -9.609
where: short stacking energy: -9.609
Base-Backbone interact. energy: -0.000
local terms energy: -14.939120
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.536
flat angles P-C4'-P energy: -2.362
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: 9, replica: 7
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -26.349509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.349509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.349509 (E_RNA)
where:
Base-Base interactions energy: -11.291
where: short stacking energy: -11.291
Base-Backbone interact. energy: -0.000
local terms energy: -15.058319
where:
bonds (distance) C4'-P energy: -2.804
bonds (distance) P-C4' energy: -4.600
flat angles C4'-P-C4' energy: -3.152
flat angles P-C4'-P energy: -1.446
tors. eta vs tors. theta energy: -3.058
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: 3
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -25.129230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.129230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.129230 (E_RNA)
where:
Base-Base interactions energy: -13.294
where: short stacking energy: -13.294
Base-Backbone interact. energy: -0.001
local terms energy: -11.834051
where:
bonds (distance) C4'-P energy: -0.192
bonds (distance) P-C4' energy: -4.205
flat angles C4'-P-C4' energy: -3.303
flat angles P-C4'-P energy: -0.860
tors. eta vs tors. theta energy: -3.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -39.275094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.275094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.275094 (E_RNA)
where:
Base-Base interactions energy: -16.580
where: short stacking energy: -16.580
Base-Backbone interact. energy: -0.000
local terms energy: -22.695315
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -5.361
flat angles C4'-P-C4' energy: -4.625
flat angles P-C4'-P energy: -3.354
tors. eta vs tors. theta energy: -4.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -37.722806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.722806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.722806 (E_RNA)
where:
Base-Base interactions energy: -21.443
where: short stacking energy: -12.366
Base-Backbone interact. energy: -0.001
local terms energy: -16.278510
where:
bonds (distance) C4'-P energy: -3.673
bonds (distance) P-C4' energy: -3.818
flat angles C4'-P-C4' energy: -3.284
flat angles P-C4'-P energy: -2.877
tors. eta vs tors. theta energy: -2.627
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: 3, replica: 9
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -31.727203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.727203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.727203 (E_RNA)
where:
Base-Base interactions energy: -12.746
where: short stacking energy: -12.746
Base-Backbone interact. energy: -0.000
local terms energy: -18.980789
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.314
flat angles P-C4'-P energy: -3.522
tors. eta vs tors. theta energy: -1.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -27.079561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.079561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.079561 (E_RNA)
where:
Base-Base interactions energy: -10.301
where: short stacking energy: -5.238
Base-Backbone interact. energy: -0.000
local terms energy: -16.778223
where:
bonds (distance) C4'-P energy: -4.154
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.142
flat angles P-C4'-P energy: -2.903
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: 5, replica: 10
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -38.151292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.151292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.151292 (E_RNA)
where:
Base-Base interactions energy: -16.072
where: short stacking energy: -16.072
Base-Backbone interact. energy: -0.000
local terms energy: -22.078826
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -4.595
flat angles P-C4'-P energy: -2.585
tors. eta vs tors. theta energy: -5.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -28.931091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.931091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.931091 (E_RNA)
where:
Base-Base interactions energy: -12.155
where: short stacking energy: -12.155
Base-Backbone interact. energy: -0.000
local terms energy: -16.775974
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.606
flat angles P-C4'-P energy: -1.345
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: 7, replica: 4
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -25.345231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.345231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.345231 (E_RNA)
where:
Base-Base interactions energy: -10.267
where: short stacking energy: -10.267
Base-Backbone interact. energy: -0.000
local terms energy: -15.078243
where:
bonds (distance) C4'-P energy: -3.036
bonds (distance) P-C4' energy: -3.557
flat angles C4'-P-C4' energy: -3.670
flat angles P-C4'-P energy: -1.328
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: 8, replica: 7
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -28.815264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.815264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.815264 (E_RNA)
where:
Base-Base interactions energy: -12.351
where: short stacking energy: -12.351
Base-Backbone interact. energy: -0.000
local terms energy: -16.464307
where:
bonds (distance) C4'-P energy: -3.691
bonds (distance) P-C4' energy: -3.515
flat angles C4'-P-C4' energy: -3.271
flat angles P-C4'-P energy: -3.045
tors. eta vs tors. theta energy: -2.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -24.793362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.793362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.793362 (E_RNA)
where:
Base-Base interactions energy: -7.663
where: short stacking energy: -7.663
Base-Backbone interact. energy: -0.000
local terms energy: -17.130116
where:
bonds (distance) C4'-P energy: -3.753
bonds (distance) P-C4' energy: -4.202
flat angles C4'-P-C4' energy: -4.049
flat angles P-C4'-P energy: -3.162
tors. eta vs tors. theta energy: -1.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -24.772747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.772747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.772747 (E_RNA)
where:
Base-Base interactions energy: -8.630
where: short stacking energy: -8.630
Base-Backbone interact. energy: -0.041
local terms energy: -16.101793
where:
bonds (distance) C4'-P energy: -3.541
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -4.152
flat angles P-C4'-P energy: -3.257
tors. eta vs tors. theta energy: -0.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -39.633946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.633946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.633946 (E_RNA)
where:
Base-Base interactions energy: -17.641
where: short stacking energy: -17.641
Base-Backbone interact. energy: -0.000
local terms energy: -21.993403
where:
bonds (distance) C4'-P energy: -3.629
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -4.229
flat angles P-C4'-P energy: -3.673
tors. eta vs tors. theta energy: -5.373
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: 8
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -29.300891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.300891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.300891 (E_RNA)
where:
Base-Base interactions energy: -12.947
where: short stacking energy: -12.947
Base-Backbone interact. energy: -0.000
local terms energy: -16.353841
where:
bonds (distance) C4'-P energy: -3.301
bonds (distance) P-C4' energy: -4.410
flat angles C4'-P-C4' energy: -4.452
flat angles P-C4'-P energy: -3.207
tors. eta vs tors. theta energy: -0.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -33.836600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.836600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.836600 (E_RNA)
where:
Base-Base interactions energy: -14.241
where: short stacking energy: -14.241
Base-Backbone interact. energy: -0.000
local terms energy: -19.595282
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -4.628
flat angles C4'-P-C4' energy: -3.943
flat angles P-C4'-P energy: -2.731
tors. eta vs tors. theta energy: -4.363
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: 432
Temperature: 1.050000
Total energy: -30.935077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.935077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.935077 (E_RNA)
where:
Base-Base interactions energy: -10.749
where: short stacking energy: -10.749
Base-Backbone interact. energy: -0.000
local terms energy: -20.185554
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.962
flat angles P-C4'-P energy: -2.972
tors. eta vs tors. theta energy: -3.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -37.048660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.048660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.048660 (E_RNA)
where:
Base-Base interactions energy: -14.519
where: short stacking energy: -14.519
Base-Backbone interact. energy: -0.000
local terms energy: -22.529194
where:
bonds (distance) C4'-P energy: -4.279
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -4.894
flat angles P-C4'-P energy: -3.740
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: 6, replica: 10
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -34.281723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.281723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.281723 (E_RNA)
where:
Base-Base interactions energy: -14.417
where: short stacking energy: -14.417
Base-Backbone interact. energy: -0.000
local terms energy: -19.865075
where:
bonds (distance) C4'-P energy: -3.691
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -3.728
flat angles P-C4'-P energy: -2.038
tors. eta vs tors. theta energy: -5.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -26.832096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.832096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.832096 (E_RNA)
where:
Base-Base interactions energy: -10.905
where: short stacking energy: -10.905
Base-Backbone interact. energy: -0.000
local terms energy: -15.927434
where:
bonds (distance) C4'-P energy: -2.970
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -1.942
flat angles P-C4'-P energy: -3.467
tors. eta vs tors. theta energy: -2.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -26.287381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.287381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.287381 (E_RNA)
where:
Base-Base interactions energy: -13.642
where: short stacking energy: -9.445
Base-Backbone interact. energy: -0.000
local terms energy: -12.645413
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -3.916
flat angles C4'-P-C4' energy: -0.137
flat angles P-C4'-P energy: -2.421
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: 432
Temperature: 1.300000
Total energy: -27.913741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.913741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.913741 (E_RNA)
where:
Base-Base interactions energy: -12.388
where: short stacking energy: -12.388
Base-Backbone interact. energy: -0.005
local terms energy: -15.521505
where:
bonds (distance) C4'-P energy: -2.867
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -3.755
flat angles P-C4'-P energy: -2.767
tors. eta vs tors. theta energy: -1.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -26.037423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.037423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.037423 (E_RNA)
where:
Base-Base interactions energy: -12.820
where: short stacking energy: -7.400
Base-Backbone interact. energy: -0.000
local terms energy: -13.216777
where:
bonds (distance) C4'-P energy: -2.540
bonds (distance) P-C4' energy: -2.413
flat angles C4'-P-C4' energy: -4.840
flat angles P-C4'-P energy: -2.172
tors. eta vs tors. theta energy: -1.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -38.199588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.199588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.199588 (E_RNA)
where:
Base-Base interactions energy: -16.678
where: short stacking energy: -16.678
Base-Backbone interact. energy: -0.000
local terms energy: -21.521869
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.629
flat angles P-C4'-P energy: -2.972
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: 2, replica: 2
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -35.438595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.438595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.438595 (E_RNA)
where:
Base-Base interactions energy: -16.916
where: short stacking energy: -8.557
Base-Backbone interact. energy: -0.004
local terms energy: -18.519076
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.253
flat angles P-C4'-P energy: -3.234
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: 3, replica: 8
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -29.259835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.259835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.259835 (E_RNA)
where:
Base-Base interactions energy: -11.655
where: short stacking energy: -11.655
Base-Backbone interact. energy: 0.948
local terms energy: -18.553407
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -2.775
flat angles P-C4'-P energy: -3.690
tors. eta vs tors. theta energy: -2.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -32.651725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.651725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.651725 (E_RNA)
where:
Base-Base interactions energy: -15.149
where: short stacking energy: -15.149
Base-Backbone interact. energy: -0.000
local terms energy: -17.503159
where:
bonds (distance) C4'-P energy: -3.161
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.241
flat angles P-C4'-P energy: -1.501
tors. eta vs tors. theta energy: -3.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -34.472726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.472726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.472726 (E_RNA)
where:
Base-Base interactions energy: -16.010
where: short stacking energy: -16.010
Base-Backbone interact. energy: -0.000
local terms energy: -18.463110
where:
bonds (distance) C4'-P energy: -2.681
bonds (distance) P-C4' energy: -4.572
flat angles C4'-P-C4' energy: -3.241
flat angles P-C4'-P energy: -3.248
tors. eta vs tors. theta energy: -4.721
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: 6, replica: 7
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -24.832339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.832339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.832339 (E_RNA)
where:
Base-Base interactions energy: -8.061
where: short stacking energy: -8.061
Base-Backbone interact. energy: -0.000
local terms energy: -16.771111
where:
bonds (distance) C4'-P energy: -3.558
bonds (distance) P-C4' energy: -3.815
flat angles C4'-P-C4' energy: -4.222
flat angles P-C4'-P energy: -3.862
tors. eta vs tors. theta energy: -1.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -23.858475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.858475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.858475 (E_RNA)
where:
Base-Base interactions energy: -7.261
where: short stacking energy: -7.261
Base-Backbone interact. energy: -0.045
local terms energy: -16.552224
where:
bonds (distance) C4'-P energy: -3.939
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -3.959
flat angles P-C4'-P energy: -3.428
tors. eta vs tors. theta energy: -0.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -29.197590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.197590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.197590 (E_RNA)
where:
Base-Base interactions energy: -9.767
where: short stacking energy: -9.767
Base-Backbone interact. energy: -0.000
local terms energy: -19.430983
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.265
flat angles P-C4'-P energy: -2.736
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: 4
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -27.251020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.251020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.251020 (E_RNA)
where:
Base-Base interactions energy: -11.885
where: short stacking energy: -8.303
Base-Backbone interact. energy: -0.071
local terms energy: -15.295162
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -4.543
flat angles P-C4'-P energy: -1.251
tors. eta vs tors. theta energy: -1.165
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: 5
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -29.032266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.032266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.032266 (E_RNA)
where:
Base-Base interactions energy: -15.282
where: short stacking energy: -10.328
Base-Backbone interact. energy: -0.000
local terms energy: -13.750521
where:
bonds (distance) C4'-P energy: -3.053
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -2.758
flat angles P-C4'-P energy: -1.074
tors. eta vs tors. theta energy: -1.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -36.318120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.318120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.318120 (E_RNA)
where:
Base-Base interactions energy: -16.338
where: short stacking energy: -16.338
Base-Backbone interact. energy: -0.000
local terms energy: -19.979657
where:
bonds (distance) C4'-P energy: -3.247
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.708
flat angles P-C4'-P energy: -3.672
tors. eta vs tors. theta energy: -4.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -33.231454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.231454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.231454 (E_RNA)
where:
Base-Base interactions energy: -13.649
where: short stacking energy: -13.649
Base-Backbone interact. energy: -0.003
local terms energy: -19.579414
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.403
flat angles P-C4'-P energy: -3.673
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: 3, replica: 1
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -30.467167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.467167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.467167 (E_RNA)
where:
Base-Base interactions energy: -14.324
where: short stacking energy: -14.324
Base-Backbone interact. energy: -0.000
local terms energy: -16.143386
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.110
flat angles C4'-P-C4' energy: -2.547
flat angles P-C4'-P energy: -3.070
tors. eta vs tors. theta energy: -2.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -30.925857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.925857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.925857 (E_RNA)
where:
Base-Base interactions energy: -13.625
where: short stacking energy: -13.625
Base-Backbone interact. energy: -0.000
local terms energy: -17.301203
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -2.612
flat angles C4'-P-C4' energy: -4.554
flat angles P-C4'-P energy: -3.880
tors. eta vs tors. theta energy: -2.039
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: 7
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -36.159800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.159800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.159800 (E_RNA)
where:
Base-Base interactions energy: -16.702
where: short stacking energy: -16.702
Base-Backbone interact. energy: -0.000
local terms energy: -19.458211
where:
bonds (distance) C4'-P energy: -2.573
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -3.735
flat angles P-C4'-P energy: -4.006
tors. eta vs tors. theta energy: -4.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -29.931605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.931605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.931605 (E_RNA)
where:
Base-Base interactions energy: -12.646
where: short stacking energy: -12.646
Base-Backbone interact. energy: -0.000
local terms energy: -17.285497
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -4.043
flat angles P-C4'-P energy: -2.494
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: 7, replica: 10
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -31.962580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.962580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.962580 (E_RNA)
where:
Base-Base interactions energy: -11.596
where: short stacking energy: -11.596
Base-Backbone interact. energy: -0.000
local terms energy: -20.366893
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -3.557
flat angles C4'-P-C4' energy: -4.328
flat angles P-C4'-P energy: -2.958
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: 3
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -26.941269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.941269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.941269 (E_RNA)
where:
Base-Base interactions energy: -11.198
where: short stacking energy: -11.198
Base-Backbone interact. energy: -0.000
local terms energy: -15.742733
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -1.032
flat angles C4'-P-C4' energy: -4.943
flat angles P-C4'-P energy: -2.428
tors. eta vs tors. theta energy: -3.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -32.422939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.422939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.422939 (E_RNA)
where:
Base-Base interactions energy: -12.096
where: short stacking energy: -12.096
Base-Backbone interact. energy: -0.000
local terms energy: -20.326597
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -4.506
flat angles P-C4'-P energy: -2.236
tors. eta vs tors. theta energy: -3.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -28.830968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.830968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.830968 (E_RNA)
where:
Base-Base interactions energy: -11.991
where: short stacking energy: -11.991
Base-Backbone interact. energy: -0.004
local terms energy: -16.835426
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -1.248
flat angles C4'-P-C4' energy: -4.472
flat angles P-C4'-P energy: -3.483
tors. eta vs tors. theta energy: -3.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -33.852623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.852623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.852623 (E_RNA)
where:
Base-Base interactions energy: -16.956
where: short stacking energy: -13.225
Base-Backbone interact. energy: -0.017
local terms energy: -16.879651
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -3.468
flat angles P-C4'-P energy: -2.768
tors. eta vs tors. theta energy: -2.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -38.191835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.191835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.191835 (E_RNA)
where:
Base-Base interactions energy: -15.483
where: short stacking energy: -15.483
Base-Backbone interact. energy: -0.000
local terms energy: -22.708931
where:
bonds (distance) C4'-P energy: -4.303
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.285
flat angles P-C4'-P energy: -3.922
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: 3, replica: 6
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -39.039998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.039998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.039998 (E_RNA)
where:
Base-Base interactions energy: -16.250
where: short stacking energy: -16.250
Base-Backbone interact. energy: -0.000
local terms energy: -22.789642
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -5.104
flat angles C4'-P-C4' energy: -4.786
flat angles P-C4'-P energy: -3.383
tors. eta vs tors. theta energy: -5.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -31.314216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.314216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.314216 (E_RNA)
where:
Base-Base interactions energy: -14.046
where: short stacking energy: -14.046
Base-Backbone interact. energy: -0.006
local terms energy: -17.262860
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -2.934
flat angles P-C4'-P energy: -3.208
tors. eta vs tors. theta energy: -1.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -29.748442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.748442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.748442 (E_RNA)
where:
Base-Base interactions energy: -12.371
where: short stacking energy: -12.371
Base-Backbone interact. energy: -0.000
local terms energy: -17.377672
where:
bonds (distance) C4'-P energy: -3.683
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -4.592
flat angles P-C4'-P energy: -2.272
tors. eta vs tors. theta energy: -1.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -27.046935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.046935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.046935 (E_RNA)
where:
Base-Base interactions energy: -12.146
where: short stacking energy: -12.146
Base-Backbone interact. energy: -0.000
local terms energy: -14.901090
where:
bonds (distance) C4'-P energy: -2.797
bonds (distance) P-C4' energy: -3.518
flat angles C4'-P-C4' energy: -3.680
flat angles P-C4'-P energy: -3.009
tors. eta vs tors. theta energy: -1.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -31.745308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.745308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.745308 (E_RNA)
where:
Base-Base interactions energy: -13.332
where: short stacking energy: -13.332
Base-Backbone interact. energy: -0.000
local terms energy: -18.413105
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -3.553
flat angles C4'-P-C4' energy: -3.970
flat angles P-C4'-P energy: -2.020
tors. eta vs tors. theta energy: -4.769
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: 5
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -29.637836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.637836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.637836 (E_RNA)
where:
Base-Base interactions energy: -15.417
where: short stacking energy: -15.417
Base-Backbone interact. energy: -0.000
local terms energy: -14.220492
where:
bonds (distance) C4'-P energy: -0.818
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -2.888
flat angles P-C4'-P energy: -1.557
tors. eta vs tors. theta energy: -3.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -26.645021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.645021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.645021 (E_RNA)
where:
Base-Base interactions energy: -10.780
where: short stacking energy: -10.780
Base-Backbone interact. energy: -0.000
local terms energy: -15.864742
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -3.209
flat angles P-C4'-P energy: -3.423
tors. eta vs tors. theta energy: -0.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -24.979712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.979712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.979712 (E_RNA)
where:
Base-Base interactions energy: -8.741
where: short stacking energy: -8.741
Base-Backbone interact. energy: -0.001
local terms energy: -16.237650
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -4.177
flat angles C4'-P-C4' energy: -2.913
flat angles P-C4'-P energy: -3.532
tors. eta vs tors. theta energy: -1.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -35.623448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.623448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.623448 (E_RNA)
where:
Base-Base interactions energy: -19.600
where: short stacking energy: -12.838
Base-Backbone interact. energy: -0.000
local terms energy: -16.023290
where:
bonds (distance) C4'-P energy: -4.634
bonds (distance) P-C4' energy: -3.582
flat angles C4'-P-C4' energy: -3.281
flat angles P-C4'-P energy: -2.549
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: 2, replica: 2
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -39.017704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.017704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.017704 (E_RNA)
where:
Base-Base interactions energy: -17.838
where: short stacking energy: -17.838
Base-Backbone interact. energy: -0.000
local terms energy: -21.179253
where:
bonds (distance) C4'-P energy: -3.745
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -3.917
flat angles P-C4'-P energy: -3.750
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: 3, replica: 7
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -33.432633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.432633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.432633 (E_RNA)
where:
Base-Base interactions energy: -16.360
where: short stacking energy: -9.416
Base-Backbone interact. energy: -0.005
local terms energy: -17.067989
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -4.569
flat angles C4'-P-C4' energy: -3.673
flat angles P-C4'-P energy: -3.556
tors. eta vs tors. theta energy: -1.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -33.960548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.960548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.960548 (E_RNA)
where:
Base-Base interactions energy: -20.849
where: short stacking energy: -11.931
Base-Backbone interact. energy: 0.359
local terms energy: -13.470372
where:
bonds (distance) C4'-P energy: -2.573
bonds (distance) P-C4' energy: -3.885
flat angles C4'-P-C4' energy: -3.691
flat angles P-C4'-P energy: -1.354
tors. eta vs tors. theta energy: -1.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -32.534826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.534826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.534826 (E_RNA)
where:
Base-Base interactions energy: -12.254
where: short stacking energy: -12.254
Base-Backbone interact. energy: -0.006
local terms energy: -20.274489
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -2.624
flat angles P-C4'-P energy: -3.582
tors. eta vs tors. theta energy: -4.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -23.774973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.774973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.774973 (E_RNA)
where:
Base-Base interactions energy: -7.260
where: short stacking energy: -7.260
Base-Backbone interact. energy: -0.011
local terms energy: -16.503586
where:
bonds (distance) C4'-P energy: -4.154
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -3.408
flat angles P-C4'-P energy: -2.844
tors. eta vs tors. theta energy: -1.215
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: 7, replica: 5
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -28.563717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.563717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.563717 (E_RNA)
where:
Base-Base interactions energy: -14.589
where: short stacking energy: -14.589
Base-Backbone interact. energy: -0.000
local terms energy: -13.974576
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -3.187
flat angles C4'-P-C4' energy: -1.103
flat angles P-C4'-P energy: -2.894
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: 8, replica: 9
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -27.086639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.086639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.086639 (E_RNA)
where:
Base-Base interactions energy: -10.431
where: short stacking energy: -10.431
Base-Backbone interact. energy: -0.000
local terms energy: -16.655651
where:
bonds (distance) C4'-P energy: -3.045
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.218
flat angles P-C4'-P energy: -1.916
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: 9, replica: 4
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -23.207600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.207600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.207600 (E_RNA)
where:
Base-Base interactions energy: -8.001
where: short stacking energy: -8.001
Base-Backbone interact. energy: -0.000
local terms energy: -15.207046
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -1.874
flat angles P-C4'-P energy: -3.142
tors. eta vs tors. theta energy: -1.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -23.499112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.499112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.499112 (E_RNA)
where:
Base-Base interactions energy: -7.809
where: short stacking energy: -7.809
Base-Backbone interact. energy: -0.001
local terms energy: -15.689217
where:
bonds (distance) C4'-P energy: -3.479
bonds (distance) P-C4' energy: -3.781
flat angles C4'-P-C4' energy: -4.506
flat angles P-C4'-P energy: -3.721
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: 1, replica: 1
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -26.864392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.864392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.864392 (E_RNA)
where:
Base-Base interactions energy: -10.075
where: short stacking energy: -10.075
Base-Backbone interact. energy: -0.000
local terms energy: -16.789421
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.659
flat angles P-C4'-P energy: -2.473
tors. eta vs tors. theta energy: -1.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -33.873377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.873377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.873377 (E_RNA)
where:
Base-Base interactions energy: -15.516
where: short stacking energy: -15.516
Base-Backbone interact. energy: -0.000
local terms energy: -18.357503
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -3.372
flat angles P-C4'-P energy: -2.002
tors. eta vs tors. theta energy: -3.818
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: 7
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -30.872486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.872486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.872486 (E_RNA)
where:
Base-Base interactions energy: -13.297
where: short stacking energy: -13.297
Base-Backbone interact. energy: -0.000
local terms energy: -17.574931
where:
bonds (distance) C4'-P energy: -2.738
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.570
flat angles P-C4'-P energy: -2.865
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: 4, replica: 10
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -28.006737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.006737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.006737 (E_RNA)
where:
Base-Base interactions energy: -13.978
where: short stacking energy: -9.009
Base-Backbone interact. energy: -0.380
local terms energy: -13.648654
where:
bonds (distance) C4'-P energy: -2.263
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -0.495
flat angles P-C4'-P energy: -3.843
tors. eta vs tors. theta energy: -1.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -33.148147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.148147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.148147 (E_RNA)
where:
Base-Base interactions energy: -14.851
where: short stacking energy: -14.851
Base-Backbone interact. energy: -0.000
local terms energy: -18.297021
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -3.096
flat angles C4'-P-C4' energy: -4.201
flat angles P-C4'-P energy: -2.909
tors. eta vs tors. theta energy: -4.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -33.254784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.254784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.254784 (E_RNA)
where:
Base-Base interactions energy: -15.732
where: short stacking energy: -15.732
Base-Backbone interact. energy: -0.000
local terms energy: -17.522567
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -3.410
flat angles C4'-P-C4' energy: -3.586
flat angles P-C4'-P energy: -3.502
tors. eta vs tors. theta energy: -2.808
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: 8
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -34.966289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.966289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.966289 (E_RNA)
where:
Base-Base interactions energy: -13.924
where: short stacking energy: -13.924
Base-Backbone interact. energy: -0.000
local terms energy: -21.042454
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -3.942
flat angles P-C4'-P energy: -2.801
tors. eta vs tors. theta energy: -4.806
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: 8, replica: 9
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -27.450956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.450956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.450956 (E_RNA)
where:
Base-Base interactions energy: -12.834
where: short stacking energy: -12.834
Base-Backbone interact. energy: -0.000
local terms energy: -14.616656
where:
bonds (distance) C4'-P energy: -2.920
bonds (distance) P-C4' energy: -4.410
flat angles C4'-P-C4' energy: -2.997
flat angles P-C4'-P energy: -0.125
tors. eta vs tors. theta energy: -4.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -22.728942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.728942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.728942 (E_RNA)
where:
Base-Base interactions energy: -6.434
where: short stacking energy: -6.434
Base-Backbone interact. energy: -0.000
local terms energy: -16.294645
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.757
flat angles P-C4'-P energy: -3.320
tors. eta vs tors. theta energy: -0.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -23.929350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.929350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.929350 (E_RNA)
where:
Base-Base interactions energy: -7.772
where: short stacking energy: -7.772
Base-Backbone interact. energy: -0.000
local terms energy: -16.157502
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -3.895
flat angles C4'-P-C4' energy: -3.608
flat angles P-C4'-P energy: -1.582
tors. eta vs tors. theta energy: -2.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -36.383279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.383279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.383279 (E_RNA)
where:
Base-Base interactions energy: -15.620
where: short stacking energy: -15.620
Base-Backbone interact. energy: -0.000
local terms energy: -20.763726
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.994
flat angles P-C4'-P energy: -3.710
tors. eta vs tors. theta energy: -3.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -30.571661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.571661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.571661 (E_RNA)
where:
Base-Base interactions energy: -12.366
where: short stacking energy: -12.366
Base-Backbone interact. energy: -0.000
local terms energy: -18.205843
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.361
flat angles C4'-P-C4' energy: -3.109
flat angles P-C4'-P energy: -2.421
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: 3, replica: 7
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -36.300200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.300200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.300200 (E_RNA)
where:
Base-Base interactions energy: -16.697
where: short stacking energy: -16.697
Base-Backbone interact. energy: -0.000
local terms energy: -19.603615
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.940
flat angles P-C4'-P energy: -3.611
tors. eta vs tors. theta energy: -3.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -26.304326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.304326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.304326 (E_RNA)
where:
Base-Base interactions energy: -9.490
where: short stacking energy: -9.490
Base-Backbone interact. energy: -0.000
local terms energy: -16.814080
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -4.336
flat angles C4'-P-C4' energy: -4.295
flat angles P-C4'-P energy: -0.610
tors. eta vs tors. theta energy: -3.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -30.802203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.802203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.802203 (E_RNA)
where:
Base-Base interactions energy: -12.882
where: short stacking energy: -12.882
Base-Backbone interact. energy: -0.000
local terms energy: -17.920214
where:
bonds (distance) C4'-P energy: -4.009
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -2.990
flat angles P-C4'-P energy: -2.370
tors. eta vs tors. theta energy: -3.663
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: 6
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -32.834568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.834568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.834568 (E_RNA)
where:
Base-Base interactions energy: -13.805
where: short stacking energy: -13.805
Base-Backbone interact. energy: -0.000
local terms energy: -19.029081
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -4.628
flat angles C4'-P-C4' energy: -4.856
flat angles P-C4'-P energy: -0.718
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: 7, replica: 9
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -26.321518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.321518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.321518 (E_RNA)
where:
Base-Base interactions energy: -8.752
where: short stacking energy: -8.752
Base-Backbone interact. energy: -0.000
local terms energy: -17.569201
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.993
flat angles P-C4'-P energy: -1.010
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: 8, replica: 8
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -24.505290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.505290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.505290 (E_RNA)
where:
Base-Base interactions energy: -5.292
where: short stacking energy: -4.284
Base-Backbone interact. energy: -0.000
local terms energy: -19.213205
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.656
flat angles C4'-P-C4' energy: -3.761
flat angles P-C4'-P energy: -2.621
tors. eta vs tors. theta energy: -3.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -25.166952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.166952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.166952 (E_RNA)
where:
Base-Base interactions energy: -8.835
where: short stacking energy: -8.835
Base-Backbone interact. energy: -0.086
local terms energy: -16.245492
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.628
flat angles C4'-P-C4' energy: -3.809
flat angles P-C4'-P energy: -3.747
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: 4
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -26.240392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.240392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.240392 (E_RNA)
where:
Base-Base interactions energy: -8.506
where: short stacking energy: -8.506
Base-Backbone interact. energy: -0.002
local terms energy: -17.732210
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.996
flat angles P-C4'-P energy: -3.308
tors. eta vs tors. theta energy: -1.657
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: 2
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -36.528325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.528325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.528325 (E_RNA)
where:
Base-Base interactions energy: -16.810
where: short stacking energy: -16.810
Base-Backbone interact. energy: -0.000
local terms energy: -19.718079
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -3.628
flat angles C4'-P-C4' energy: -4.421
flat angles P-C4'-P energy: -1.799
tors. eta vs tors. theta energy: -5.343
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: 2, replica: 7
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -32.725901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.725901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.725901 (E_RNA)
where:
Base-Base interactions energy: -13.450
where: short stacking energy: -13.450
Base-Backbone interact. energy: -0.000
local terms energy: -19.275892
where:
bonds (distance) C4'-P energy: -3.247
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -3.970
flat angles P-C4'-P energy: -3.412
tors. eta vs tors. theta energy: -3.758
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: 439
Temperature: 1.000000
Total energy: -32.140327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.140327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.140327 (E_RNA)
where:
Base-Base interactions energy: -13.987
where: short stacking energy: -13.987
Base-Backbone interact. energy: -0.000
local terms energy: -18.153280
where:
bonds (distance) C4'-P energy: -3.256
bonds (distance) P-C4' energy: -3.582
flat angles C4'-P-C4' energy: -4.766
flat angles P-C4'-P energy: -3.702
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: 4, replica: 5
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -33.155346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.155346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.155346 (E_RNA)
where:
Base-Base interactions energy: -14.287
where: short stacking energy: -14.287
Base-Backbone interact. energy: -0.000
local terms energy: -18.867972
where:
bonds (distance) C4'-P energy: -3.194
bonds (distance) P-C4' energy: -3.815
flat angles C4'-P-C4' energy: -3.568
flat angles P-C4'-P energy: -2.816
tors. eta vs tors. theta energy: -5.476
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: 10
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -26.201772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.201772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.201772 (E_RNA)
where:
Base-Base interactions energy: -11.839
where: short stacking energy: -3.499
Base-Backbone interact. energy: -0.000
local terms energy: -14.362591
where:
bonds (distance) C4'-P energy: -2.201
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -3.184
flat angles P-C4'-P energy: -3.807
tors. eta vs tors. theta energy: -0.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -32.296706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.296706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.296706 (E_RNA)
where:
Base-Base interactions energy: -13.704
where: short stacking energy: -13.704
Base-Backbone interact. energy: -0.000
local terms energy: -18.592692
where:
bonds (distance) C4'-P energy: -3.745
bonds (distance) P-C4' energy: -3.385
flat angles C4'-P-C4' energy: -4.049
flat angles P-C4'-P energy: -2.341
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: 7, replica: 6
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -24.909618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.909618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.909618 (E_RNA)
where:
Base-Base interactions energy: -9.021
where: short stacking energy: -9.021
Base-Backbone interact. energy: -0.000
local terms energy: -15.888178
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -3.751
flat angles C4'-P-C4' energy: -3.769
flat angles P-C4'-P energy: -2.619
tors. eta vs tors. theta energy: -1.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -28.056097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.056097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.056097 (E_RNA)
where:
Base-Base interactions energy: -8.163
where: short stacking energy: -8.163
Base-Backbone interact. energy: -0.000
local terms energy: -19.893415
where:
bonds (distance) C4'-P energy: -3.699
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -2.885
flat angles P-C4'-P energy: -2.888
tors. eta vs tors. theta energy: -5.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -27.471041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.471041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.471041 (E_RNA)
where:
Base-Base interactions energy: -8.614
where: short stacking energy: -8.614
Base-Backbone interact. energy: -0.000
local terms energy: -18.857113
where:
bonds (distance) C4'-P energy: -2.743
bonds (distance) P-C4' energy: -4.892
flat angles C4'-P-C4' energy: -4.661
flat angles P-C4'-P energy: -1.604
tors. eta vs tors. theta energy: -4.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -23.499747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.499747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.499747 (E_RNA)
where:
Base-Base interactions energy: -7.202
where: short stacking energy: -7.202
Base-Backbone interact. energy: -0.006
local terms energy: -16.291937
where:
bonds (distance) C4'-P energy: -3.194
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.836
flat angles P-C4'-P energy: -2.782
tors. eta vs tors. theta energy: -1.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -33.468607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.468607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.468607 (E_RNA)
where:
Base-Base interactions energy: -13.574
where: short stacking energy: -13.574
Base-Backbone interact. energy: -0.000
local terms energy: -19.894485
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -4.012
flat angles P-C4'-P energy: -3.085
tors. eta vs tors. theta energy: -3.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -33.298359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.298359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.298359 (E_RNA)
where:
Base-Base interactions energy: -12.302
where: short stacking energy: -12.302
Base-Backbone interact. energy: -0.000
local terms energy: -20.996825
where:
bonds (distance) C4'-P energy: -4.419
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.641
flat angles P-C4'-P energy: -2.795
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: 3, replica: 5
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -30.740569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.740569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.740569 (E_RNA)
where:
Base-Base interactions energy: -11.107
where: short stacking energy: -11.107
Base-Backbone interact. energy: -0.000
local terms energy: -19.633785
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -3.600
flat angles P-C4'-P energy: -3.186
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: 4, replica: 1
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -33.610503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.610503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.610503 (E_RNA)
where:
Base-Base interactions energy: -13.836
where: short stacking energy: -13.836
Base-Backbone interact. energy: -0.000
local terms energy: -19.774982
where:
bonds (distance) C4'-P energy: -2.768
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.199
flat angles P-C4'-P energy: -3.708
tors. eta vs tors. theta energy: -3.749
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: 440
Temperature: 1.100000
Total energy: -31.650294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.650294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.650294 (E_RNA)
where:
Base-Base interactions energy: -11.442
where: short stacking energy: -11.442
Base-Backbone interact. energy: -0.000
local terms energy: -20.207817
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -4.573
flat angles P-C4'-P energy: -2.191
tors. eta vs tors. theta energy: -4.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -26.713381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.713381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.713381 (E_RNA)
where:
Base-Base interactions energy: -9.529
where: short stacking energy: -9.529
Base-Backbone interact. energy: -0.000
local terms energy: -17.184833
where:
bonds (distance) C4'-P energy: -3.318
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -3.772
flat angles P-C4'-P energy: -3.036
tors. eta vs tors. theta energy: -2.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -25.870803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.870803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.870803 (E_RNA)
where:
Base-Base interactions energy: -8.804
where: short stacking energy: -8.804
Base-Backbone interact. energy: -0.002
local terms energy: -17.064404
where:
bonds (distance) C4'-P energy: -3.781
bonds (distance) P-C4' energy: -3.786
flat angles C4'-P-C4' energy: -4.092
flat angles P-C4'-P energy: -3.674
tors. eta vs tors. theta energy: -1.731
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: 6
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -32.297257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.297257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.297257 (E_RNA)
where:
Base-Base interactions energy: -16.280
where: short stacking energy: -7.817
Base-Backbone interact. energy: -0.011
local terms energy: -16.006576
where:
bonds (distance) C4'-P energy: -2.064
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.632
flat angles P-C4'-P energy: -3.610
tors. eta vs tors. theta energy: -1.579
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: 9, replica: 4
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -27.507640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.507640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.507640 (E_RNA)
where:
Base-Base interactions energy: -10.954
where: short stacking energy: -10.954
Base-Backbone interact. energy: -0.000
local terms energy: -16.553723
where:
bonds (distance) C4'-P energy: -3.314
bonds (distance) P-C4' energy: -3.578
flat angles C4'-P-C4' energy: -4.201
flat angles P-C4'-P energy: -2.458
tors. eta vs tors. theta energy: -3.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -23.385759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.385759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.385759 (E_RNA)
where:
Base-Base interactions energy: -7.611
where: short stacking energy: -7.611
Base-Backbone interact. energy: -0.003
local terms energy: -15.772002
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -2.612
flat angles C4'-P-C4' energy: -4.750
flat angles P-C4'-P energy: -2.832
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: 1, replica: 2
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -39.892928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.892928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.892928 (E_RNA)
where:
Base-Base interactions energy: -17.396
where: short stacking energy: -17.396
Base-Backbone interact. energy: -0.000
local terms energy: -22.497119
where:
bonds (distance) C4'-P energy: -3.923
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.717
flat angles P-C4'-P energy: -3.765
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: 2, replica: 5
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -30.120973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.120973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.120973 (E_RNA)
where:
Base-Base interactions energy: -10.881
where: short stacking energy: -10.881
Base-Backbone interact. energy: -0.017
local terms energy: -19.222278
where:
bonds (distance) C4'-P energy: -4.634
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.193
flat angles P-C4'-P energy: -2.618
tors. eta vs tors. theta energy: -2.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -35.440695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.440695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.440695 (E_RNA)
where:
Base-Base interactions energy: -14.862
where: short stacking energy: -14.862
Base-Backbone interact. energy: -0.000
local terms energy: -20.578586
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.272
flat angles P-C4'-P energy: -2.802
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: 4, replica: 9
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -28.791027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.791027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.791027 (E_RNA)
where:
Base-Base interactions energy: -11.151
where: short stacking energy: -11.151
Base-Backbone interact. energy: -0.001
local terms energy: -17.638978
where:
bonds (distance) C4'-P energy: -3.335
bonds (distance) P-C4' energy: -4.569
flat angles C4'-P-C4' energy: -4.360
flat angles P-C4'-P energy: -4.025
tors. eta vs tors. theta energy: -1.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -27.047445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.047445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.047445 (E_RNA)
where:
Base-Base interactions energy: -9.257
where: short stacking energy: -9.257
Base-Backbone interact. energy: -0.000
local terms energy: -17.790279
where:
bonds (distance) C4'-P energy: -3.753
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.050
flat angles P-C4'-P energy: -2.038
tors. eta vs tors. theta energy: -2.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -27.757377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.757377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.757377 (E_RNA)
where:
Base-Base interactions energy: -10.276
where: short stacking energy: -10.276
Base-Backbone interact. energy: -0.000
local terms energy: -17.480891
where:
bonds (distance) C4'-P energy: -3.773
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.398
flat angles P-C4'-P energy: -2.867
tors. eta vs tors. theta energy: -1.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -26.488390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.488390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.488390 (E_RNA)
where:
Base-Base interactions energy: -9.220
where: short stacking energy: -9.220
Base-Backbone interact. energy: -0.000
local terms energy: -17.268609
where:
bonds (distance) C4'-P energy: -3.256
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -3.466
flat angles P-C4'-P energy: -3.729
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: 8, replica: 4
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -25.626764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.626764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.626764 (E_RNA)
where:
Base-Base interactions energy: -11.411
where: short stacking energy: -11.411
Base-Backbone interact. energy: -0.000
local terms energy: -14.215415
where:
bonds (distance) C4'-P energy: -1.082
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -4.379
flat angles P-C4'-P energy: -1.781
tors. eta vs tors. theta energy: -1.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -31.648716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.648716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.648716 (E_RNA)
where:
Base-Base interactions energy: -14.284
where: short stacking energy: -14.284
Base-Backbone interact. energy: -0.000
local terms energy: -17.364858
where:
bonds (distance) C4'-P energy: -2.797
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -3.140
flat angles P-C4'-P energy: -2.789
tors. eta vs tors. theta energy: -3.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -26.345468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.345468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.345468 (E_RNA)
where:
Base-Base interactions energy: -10.601
where: short stacking energy: -10.601
Base-Backbone interact. energy: -0.000
local terms energy: -15.744639
where:
bonds (distance) C4'-P energy: -3.309
bonds (distance) P-C4' energy: -3.966
flat angles C4'-P-C4' energy: -3.359
flat angles P-C4'-P energy: -1.976
tors. eta vs tors. theta energy: -3.135
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: 442
Temperature: 0.900000
Total energy: -35.686902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.686902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.686902 (E_RNA)
where:
Base-Base interactions energy: -16.340
where: short stacking energy: -8.835
Base-Backbone interact. energy: -0.003
local terms energy: -19.344689
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.047
flat angles C4'-P-C4' energy: -4.664
flat angles P-C4'-P energy: -3.284
tors. eta vs tors. theta energy: -2.939
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: 5
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -32.990071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.990071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.990071 (E_RNA)
where:
Base-Base interactions energy: -12.044
where: short stacking energy: -12.044
Base-Backbone interact. energy: -0.000
local terms energy: -20.945630
where:
bonds (distance) C4'-P energy: -3.036
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.068
flat angles P-C4'-P energy: -3.350
tors. eta vs tors. theta energy: -5.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -32.775987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.775987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.775987 (E_RNA)
where:
Base-Base interactions energy: -16.000
where: short stacking energy: -16.000
Base-Backbone interact. energy: -0.000
local terms energy: -16.776305
where:
bonds (distance) C4'-P energy: -3.008
bonds (distance) P-C4' energy: -4.572
flat angles C4'-P-C4' energy: -2.499
flat angles P-C4'-P energy: -3.150
tors. eta vs tors. theta energy: -3.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -32.933111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.933111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.933111 (E_RNA)
where:
Base-Base interactions energy: -13.033
where: short stacking energy: -13.033
Base-Backbone interact. energy: -0.000
local terms energy: -19.899648
where:
bonds (distance) C4'-P energy: -3.773
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.839
flat angles P-C4'-P energy: -1.905
tors. eta vs tors. theta energy: -4.268
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: 3
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -33.913043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.913043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.913043 (E_RNA)
where:
Base-Base interactions energy: -15.463
where: short stacking energy: -15.463
Base-Backbone interact. energy: -0.000
local terms energy: -18.449730
where:
bonds (distance) C4'-P energy: -4.419
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -2.828
flat angles P-C4'-P energy: -2.201
tors. eta vs tors. theta energy: -3.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -25.085489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.085489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.085489 (E_RNA)
where:
Base-Base interactions energy: -12.164
where: short stacking energy: -12.164
Base-Backbone interact. energy: -0.018
local terms energy: -12.902916
where:
bonds (distance) C4'-P energy: -2.573
bonds (distance) P-C4' energy: -4.051
flat angles C4'-P-C4' energy: -0.739
flat angles P-C4'-P energy: -3.327
tors. eta vs tors. theta energy: -2.213
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: 7, replica: 4
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -27.343383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.343383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.343383 (E_RNA)
where:
Base-Base interactions energy: -8.852
where: short stacking energy: -8.852
Base-Backbone interact. energy: -0.000
local terms energy: -18.491606
where:
bonds (distance) C4'-P energy: -3.194
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.744
flat angles P-C4'-P energy: -3.454
tors. eta vs tors. theta energy: -2.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -32.227522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.227522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.227522 (E_RNA)
where:
Base-Base interactions energy: -11.624
where: short stacking energy: -11.624
Base-Backbone interact. energy: -0.000
local terms energy: -20.603957
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -4.253
flat angles P-C4'-P energy: -2.752
tors. eta vs tors. theta energy: -4.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -29.490844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.490844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.490844 (E_RNA)
where:
Base-Base interactions energy: -12.941
where: short stacking energy: -12.941
Base-Backbone interact. energy: -0.000
local terms energy: -16.549866
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -3.856
flat angles P-C4'-P energy: -1.938
tors. eta vs tors. theta energy: -2.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -27.544552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.544552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.544552 (E_RNA)
where:
Base-Base interactions energy: -10.705
where: short stacking energy: -10.705
Base-Backbone interact. energy: -0.000
local terms energy: -16.839979
where:
bonds (distance) C4'-P energy: -3.923
bonds (distance) P-C4' energy: -4.656
flat angles C4'-P-C4' energy: -3.466
flat angles P-C4'-P energy: -2.158
tors. eta vs tors. theta energy: -2.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -35.334218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.334218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.334218 (E_RNA)
where:
Base-Base interactions energy: -17.090
where: short stacking energy: -17.090
Base-Backbone interact. energy: -0.000
local terms energy: -18.244519
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -4.202
flat angles C4'-P-C4' energy: -3.496
flat angles P-C4'-P energy: -1.647
tors. eta vs tors. theta energy: -5.092
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: 2, replica: 7
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -31.160939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.160939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.160939 (E_RNA)
where:
Base-Base interactions energy: -13.471
where: short stacking energy: -13.471
Base-Backbone interact. energy: -0.003
local terms energy: -17.687286
where:
bonds (distance) C4'-P energy: -3.691
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -3.483
flat angles P-C4'-P energy: -3.274
tors. eta vs tors. theta energy: -2.802
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: 3, replica: 5
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -32.636902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.636902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.636902 (E_RNA)
where:
Base-Base interactions energy: -13.284
where: short stacking energy: -13.284
Base-Backbone interact. energy: -0.042
local terms energy: -19.310637
where:
bonds (distance) C4'-P energy: -3.861
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.919
flat angles P-C4'-P energy: -2.923
tors. eta vs tors. theta energy: -3.486
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: 4, replica: 3
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -30.973228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.973228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.973228 (E_RNA)
where:
Base-Base interactions energy: -11.717
where: short stacking energy: -11.717
Base-Backbone interact. energy: -0.000
local terms energy: -19.256095
where:
bonds (distance) C4'-P energy: -2.920
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -3.987
flat angles P-C4'-P energy: -3.270
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: 5, replica: 9
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -32.861499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.861499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.861499 (E_RNA)
where:
Base-Base interactions energy: -14.145
where: short stacking energy: -14.145
Base-Backbone interact. energy: -0.000
local terms energy: -18.716355
where:
bonds (distance) C4'-P energy: -2.366
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.370
flat angles P-C4'-P energy: -2.520
tors. eta vs tors. theta energy: -5.025
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: 6, replica: 4
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -24.688951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.688951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.688951 (E_RNA)
where:
Base-Base interactions energy: -7.827
where: short stacking energy: -7.827
Base-Backbone interact. energy: -0.001
local terms energy: -16.860779
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.583
flat angles P-C4'-P energy: -2.305
tors. eta vs tors. theta energy: -2.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -26.031183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.031183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.031183 (E_RNA)
where:
Base-Base interactions energy: -9.510
where: short stacking energy: -9.510
Base-Backbone interact. energy: -0.000
local terms energy: -16.521107
where:
bonds (distance) C4'-P energy: -3.185
bonds (distance) P-C4' energy: -4.392
flat angles C4'-P-C4' energy: -3.904
flat angles P-C4'-P energy: -3.384
tors. eta vs tors. theta energy: -1.657
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: 8, replica: 8
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -32.928681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.928681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.928681 (E_RNA)
where:
Base-Base interactions energy: -13.716
where: short stacking energy: -13.716
Base-Backbone interact. energy: -0.000
local terms energy: -19.212663
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.674
flat angles C4'-P-C4' energy: -4.555
flat angles P-C4'-P energy: -1.312
tors. eta vs tors. theta energy: -4.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -29.166864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.166864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.166864 (E_RNA)
where:
Base-Base interactions energy: -11.042
where: short stacking energy: -11.042
Base-Backbone interact. energy: -0.000
local terms energy: -18.124533
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -4.634
flat angles C4'-P-C4' energy: -4.403
flat angles P-C4'-P energy: -1.707
tors. eta vs tors. theta energy: -3.387
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: 6
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -25.674396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.674396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.674396 (E_RNA)
where:
Base-Base interactions energy: -8.596
where: short stacking energy: -8.596
Base-Backbone interact. energy: -0.011
local terms energy: -17.067619
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.879
flat angles P-C4'-P energy: -2.890
tors. eta vs tors. theta energy: -0.319
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: 2
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -36.913847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.913847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.913847 (E_RNA)
where:
Base-Base interactions energy: -17.780
where: short stacking energy: -17.780
Base-Backbone interact. energy: -0.000
local terms energy: -19.133540
where:
bonds (distance) C4'-P energy: -3.683
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -4.500
flat angles P-C4'-P energy: -2.993
tors. eta vs tors. theta energy: -3.286
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: 7
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -38.031077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.031077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.031077 (E_RNA)
where:
Base-Base interactions energy: -17.712
where: short stacking energy: -17.712
Base-Backbone interact. energy: -0.000
local terms energy: -20.318661
where:
bonds (distance) C4'-P energy: -4.303
bonds (distance) P-C4' energy: -4.649
flat angles C4'-P-C4' energy: -3.707
flat angles P-C4'-P energy: -2.619
tors. eta vs tors. theta energy: -5.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -37.310259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.310259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.310259 (E_RNA)
where:
Base-Base interactions energy: -18.121
where: short stacking energy: -18.121
Base-Backbone interact. energy: -0.000
local terms energy: -19.189121
where:
bonds (distance) C4'-P energy: -3.344
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -2.597
flat angles P-C4'-P energy: -3.644
tors. eta vs tors. theta energy: -4.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -34.874038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.874038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.874038 (E_RNA)
where:
Base-Base interactions energy: -17.262
where: short stacking energy: -17.262
Base-Backbone interact. energy: -0.000
local terms energy: -17.611840
where:
bonds (distance) C4'-P energy: -3.479
bonds (distance) P-C4' energy: -3.591
flat angles C4'-P-C4' energy: -2.328
flat angles P-C4'-P energy: -3.273
tors. eta vs tors. theta energy: -4.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -38.870316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.870316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.870316 (E_RNA)
where:
Base-Base interactions energy: -17.366
where: short stacking energy: -17.366
Base-Backbone interact. energy: -0.000
local terms energy: -21.504601
where:
bonds (distance) C4'-P energy: -4.419
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.662
flat angles P-C4'-P energy: -1.984
tors. eta vs tors. theta energy: -5.321
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: 9
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -24.206447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.206447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.206447 (E_RNA)
where:
Base-Base interactions energy: -8.072
where: short stacking energy: -8.072
Base-Backbone interact. energy: -0.000
local terms energy: -16.134434
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -4.311
flat angles C4'-P-C4' energy: -3.175
flat angles P-C4'-P energy: -2.469
tors. eta vs tors. theta energy: -2.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -28.237381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.237381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.237381 (E_RNA)
where:
Base-Base interactions energy: -12.750
where: short stacking energy: -12.750
Base-Backbone interact. energy: -0.000
local terms energy: -15.487142
where:
bonds (distance) C4'-P energy: -3.177
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -2.608
flat angles P-C4'-P energy: -1.927
tors. eta vs tors. theta energy: -2.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -28.597708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.597708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.597708 (E_RNA)
where:
Base-Base interactions energy: -12.080
where: short stacking energy: -12.080
Base-Backbone interact. energy: -0.000
local terms energy: -16.517813
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.343
flat angles C4'-P-C4' energy: -3.693
flat angles P-C4'-P energy: -2.584
tors. eta vs tors. theta energy: -1.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -28.209263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.209263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.209263 (E_RNA)
where:
Base-Base interactions energy: -12.663
where: short stacking energy: -12.663
Base-Backbone interact. energy: -0.000
local terms energy: -15.546397
where:
bonds (distance) C4'-P energy: -2.510
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.559
flat angles P-C4'-P energy: -0.407
tors. eta vs tors. theta energy: -2.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -21.961578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.961578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.961578 (E_RNA)
where:
Base-Base interactions energy: -9.128
where: short stacking energy: -9.128
Base-Backbone interact. energy: -0.000
local terms energy: -12.833844
where:
bonds (distance) C4'-P energy: -2.912
bonds (distance) P-C4' energy: -3.364
flat angles C4'-P-C4' energy: -2.709
flat angles P-C4'-P energy: -3.199
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: 2
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -36.133634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.133634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.133634 (E_RNA)
where:
Base-Base interactions energy: -16.252
where: short stacking energy: -16.252
Base-Backbone interact. energy: -0.000
local terms energy: -19.882000
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.628
flat angles C4'-P-C4' energy: -3.995
flat angles P-C4'-P energy: -3.222
tors. eta vs tors. theta energy: -3.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -31.823618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.823618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.823618 (E_RNA)
where:
Base-Base interactions energy: -13.114
where: short stacking energy: -13.114
Base-Backbone interact. energy: -0.011
local terms energy: -18.698200
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -4.697
flat angles P-C4'-P energy: -3.059
tors. eta vs tors. theta energy: -1.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -31.098968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.098968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.098968 (E_RNA)
where:
Base-Base interactions energy: -15.146
where: short stacking energy: -15.146
Base-Backbone interact. energy: -0.000
local terms energy: -15.952511
where:
bonds (distance) C4'-P energy: -1.935
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.746
flat angles P-C4'-P energy: -2.095
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: 4, replica: 4
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -28.080796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.080796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.080796 (E_RNA)
where:
Base-Base interactions energy: -11.408
where: short stacking energy: -11.408
Base-Backbone interact. energy: -0.019
local terms energy: -16.653907
where:
bonds (distance) C4'-P energy: -2.469
bonds (distance) P-C4' energy: -4.406
flat angles C4'-P-C4' energy: -4.700
flat angles P-C4'-P energy: -3.192
tors. eta vs tors. theta energy: -1.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -27.281896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.281896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.281896 (E_RNA)
where:
Base-Base interactions energy: -11.073
where: short stacking energy: -11.073
Base-Backbone interact. energy: -0.000
local terms energy: -16.209184
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.658
flat angles P-C4'-P energy: -0.582
tors. eta vs tors. theta energy: -2.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -27.358561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.358561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.358561 (E_RNA)
where:
Base-Base interactions energy: -11.758
where: short stacking energy: -8.706
Base-Backbone interact. energy: -0.002
local terms energy: -15.598112
where:
bonds (distance) C4'-P energy: -1.827
bonds (distance) P-C4' energy: -3.941
flat angles C4'-P-C4' energy: -4.375
flat angles P-C4'-P energy: -3.391
tors. eta vs tors. theta energy: -2.064
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: 7, replica: 9
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -27.614677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.614677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.614677 (E_RNA)
where:
Base-Base interactions energy: -13.497
where: short stacking energy: -13.497
Base-Backbone interact. energy: -0.000
local terms energy: -14.117380
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -2.495
flat angles P-C4'-P energy: 0.668
tors. eta vs tors. theta energy: -3.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -25.039859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.039859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.039859 (E_RNA)
where:
Base-Base interactions energy: -9.316
where: short stacking energy: -9.316
Base-Backbone interact. energy: -0.000
local terms energy: -15.724191
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -1.865
flat angles P-C4'-P energy: -1.486
tors. eta vs tors. theta energy: -2.869
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: 1
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -23.747839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.747839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.747839 (E_RNA)
where:
Base-Base interactions energy: -7.108
where: short stacking energy: -7.108
Base-Backbone interact. energy: -0.000
local terms energy: -16.639319
where:
bonds (distance) C4'-P energy: -3.161
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.384
flat angles P-C4'-P energy: -2.325
tors. eta vs tors. theta energy: -1.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -27.726912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.726912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.726912 (E_RNA)
where:
Base-Base interactions energy: -12.230
where: short stacking energy: -12.230
Base-Backbone interact. energy: -0.000
local terms energy: -15.496754
where:
bonds (distance) C4'-P energy: -3.861
bonds (distance) P-C4' energy: -4.336
flat angles C4'-P-C4' energy: -3.037
flat angles P-C4'-P energy: -2.683
tors. eta vs tors. theta energy: -1.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -27.622671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.622671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.622671 (E_RNA)
where:
Base-Base interactions energy: -9.310
where: short stacking energy: -9.310
Base-Backbone interact. energy: -0.000
local terms energy: -18.312389
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -3.916
flat angles C4'-P-C4' energy: -3.178
flat angles P-C4'-P energy: -3.769
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: 2, replica: 2
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -34.546969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.546969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.546969 (E_RNA)
where:
Base-Base interactions energy: -15.114
where: short stacking energy: -15.114
Base-Backbone interact. energy: -0.000
local terms energy: -19.432642
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.241
flat angles P-C4'-P energy: -3.682
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: 3, replica: 7
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -29.180546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.180546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.180546 (E_RNA)
where:
Base-Base interactions energy: -11.367
where: short stacking energy: -11.367
Base-Backbone interact. energy: -0.005
local terms energy: -17.808335
where:
bonds (distance) C4'-P energy: -3.781
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.386
flat angles P-C4'-P energy: -3.644
tors. eta vs tors. theta energy: -1.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -26.791726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.791726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.791726 (E_RNA)
where:
Base-Base interactions energy: -11.922
where: short stacking energy: -11.922
Base-Backbone interact. energy: -0.000
local terms energy: -14.869418
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -3.321
flat angles P-C4'-P energy: -0.537
tors. eta vs tors. theta energy: -1.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -30.799031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.799031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.799031 (E_RNA)
where:
Base-Base interactions energy: -13.018
where: short stacking energy: -13.018
Base-Backbone interact. energy: -0.017
local terms energy: -17.763397
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -3.190
flat angles C4'-P-C4' energy: -3.126
flat angles P-C4'-P energy: -3.586
tors. eta vs tors. theta energy: -3.644
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: 5
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -31.901063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.901063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.901063 (E_RNA)
where:
Base-Base interactions energy: -14.408
where: short stacking energy: -14.408
Base-Backbone interact. energy: -0.000
local terms energy: -17.493239
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -3.984
flat angles C4'-P-C4' energy: -4.352
flat angles P-C4'-P energy: -3.376
tors. eta vs tors. theta energy: -1.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -25.244607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.244607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.244607 (E_RNA)
where:
Base-Base interactions energy: -9.104
where: short stacking energy: -9.104
Base-Backbone interact. energy: -0.013
local terms energy: -16.127838
where:
bonds (distance) C4'-P energy: -4.055
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -3.674
flat angles P-C4'-P energy: -2.916
tors. eta vs tors. theta energy: -0.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -28.114251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.114251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.114251 (E_RNA)
where:
Base-Base interactions energy: -11.063
where: short stacking energy: -11.063
Base-Backbone interact. energy: -0.000
local terms energy: -17.051088
where:
bonds (distance) C4'-P energy: -3.781
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.540
flat angles P-C4'-P energy: -1.058
tors. eta vs tors. theta energy: -2.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -20.938831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.938831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.938831 (E_RNA)
where:
Base-Base interactions energy: -7.168
where: short stacking energy: -7.168
Base-Backbone interact. energy: -0.023
local terms energy: -13.747770
where:
bonds (distance) C4'-P energy: -3.264
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.828
flat angles P-C4'-P energy: -2.087
tors. eta vs tors. theta energy: 0.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -24.686386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.686386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.686386 (E_RNA)
where:
Base-Base interactions energy: -7.093
where: short stacking energy: -7.093
Base-Backbone interact. energy: -0.000
local terms energy: -17.593103
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.328
flat angles P-C4'-P energy: -2.931
tors. eta vs tors. theta energy: -1.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -37.522294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.522294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.522294 (E_RNA)
where:
Base-Base interactions energy: -16.517
where: short stacking energy: -16.517
Base-Backbone interact. energy: -0.000
local terms energy: -21.005677
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -3.831
flat angles P-C4'-P energy: -3.637
tors. eta vs tors. theta energy: -3.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -34.523491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.523491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.523491 (E_RNA)
where:
Base-Base interactions energy: -17.107
where: short stacking energy: -17.107
Base-Backbone interact. energy: -0.000
local terms energy: -17.416439
where:
bonds (distance) C4'-P energy: -3.247
bonds (distance) P-C4' energy: -3.790
flat angles C4'-P-C4' energy: -3.731
flat angles P-C4'-P energy: -2.316
tors. eta vs tors. theta energy: -4.332
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: 2
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -31.253557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.253557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.253557 (E_RNA)
where:
Base-Base interactions energy: -12.466
where: short stacking energy: -12.466
Base-Backbone interact. energy: -0.000
local terms energy: -18.787396
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -2.832
flat angles P-C4'-P energy: -1.062
tors. eta vs tors. theta energy: -5.369
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: 8
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -32.387954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.387954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.387954 (E_RNA)
where:
Base-Base interactions energy: -16.080
where: short stacking energy: -7.933
Base-Backbone interact. energy: -0.165
local terms energy: -16.143607
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -3.261
flat angles P-C4'-P energy: -2.666
tors. eta vs tors. theta energy: -0.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -30.069923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.069923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.069923 (E_RNA)
where:
Base-Base interactions energy: -10.857
where: short stacking energy: -10.857
Base-Backbone interact. energy: -0.510
local terms energy: -18.702572
where:
bonds (distance) C4'-P energy: -2.059
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -4.869
flat angles P-C4'-P energy: -2.561
tors. eta vs tors. theta energy: -4.324
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: 6
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -33.310960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.310960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.310960 (E_RNA)
where:
Base-Base interactions energy: -14.768
where: short stacking energy: -14.768
Base-Backbone interact. energy: -0.000
local terms energy: -18.542723
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.180
flat angles C4'-P-C4' energy: -3.420
flat angles P-C4'-P energy: -1.667
tors. eta vs tors. theta energy: -4.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -25.785871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.785871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.785871 (E_RNA)
where:
Base-Base interactions energy: -6.957
where: short stacking energy: -6.957
Base-Backbone interact. energy: -0.006
local terms energy: -18.822754
where:
bonds (distance) C4'-P energy: -4.332
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.697
flat angles P-C4'-P energy: -3.094
tors. eta vs tors. theta energy: -1.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -22.745315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.745315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.745315 (E_RNA)
where:
Base-Base interactions energy: -5.918
where: short stacking energy: -5.918
Base-Backbone interact. energy: -0.091
local terms energy: -16.736354
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.470
flat angles P-C4'-P energy: -3.947
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: 9, replica: 9
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -29.098996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.098996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.098996 (E_RNA)
where:
Base-Base interactions energy: -12.838
where: short stacking energy: -12.838
Base-Backbone interact. energy: -0.000
local terms energy: -16.260626
where:
bonds (distance) C4'-P energy: -3.061
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -2.953
flat angles P-C4'-P energy: -2.257
tors. eta vs tors. theta energy: -2.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -26.679446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.679446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.679446 (E_RNA)
where:
Base-Base interactions energy: -11.821
where: short stacking energy: -11.821
Base-Backbone interact. energy: 0.710
local terms energy: -15.568335
where:
bonds (distance) C4'-P energy: -2.697
bonds (distance) P-C4' energy: -4.674
flat angles C4'-P-C4' energy: -3.674
flat angles P-C4'-P energy: -2.663
tors. eta vs tors. theta energy: -1.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -36.351590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.351590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.351590 (E_RNA)
where:
Base-Base interactions energy: -16.960
where: short stacking energy: -16.960
Base-Backbone interact. energy: -0.000
local terms energy: -19.392039
where:
bonds (distance) C4'-P energy: -3.016
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -4.525
flat angles P-C4'-P energy: -2.886
tors. eta vs tors. theta energy: -3.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -38.065087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.065087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.065087 (E_RNA)
where:
Base-Base interactions energy: -18.037
where: short stacking energy: -18.037
Base-Backbone interact. energy: -0.000
local terms energy: -20.027709
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.594
flat angles P-C4'-P energy: -3.121
tors. eta vs tors. theta energy: -3.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -30.785314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.785314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.785314 (E_RNA)
where:
Base-Base interactions energy: -12.812
where: short stacking energy: -12.812
Base-Backbone interact. energy: -0.000
local terms energy: -17.973096
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -3.364
flat angles C4'-P-C4' energy: -3.840
flat angles P-C4'-P energy: -3.259
tors. eta vs tors. theta energy: -3.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -35.216805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.216805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.216805 (E_RNA)
where:
Base-Base interactions energy: -17.949
where: short stacking energy: -17.949
Base-Backbone interact. energy: -0.000
local terms energy: -17.268169
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -4.653
flat angles C4'-P-C4' energy: -2.646
flat angles P-C4'-P energy: -2.603
tors. eta vs tors. theta energy: -3.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -32.624969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.624969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.624969 (E_RNA)
where:
Base-Base interactions energy: -12.601
where: short stacking energy: -12.601
Base-Backbone interact. energy: 0.686
local terms energy: -20.710221
where:
bonds (distance) C4'-P energy: -3.185
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.527
flat angles P-C4'-P energy: -3.518
tors. eta vs tors. theta energy: -5.365
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: 6, replica: 4
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -28.567643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.567643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.567643 (E_RNA)
where:
Base-Base interactions energy: -11.289
where: short stacking energy: -11.289
Base-Backbone interact. energy: -0.000
local terms energy: -17.278570
where:
bonds (distance) C4'-P energy: -3.673
bonds (distance) P-C4' energy: -4.106
flat angles C4'-P-C4' energy: -2.773
flat angles P-C4'-P energy: -3.522
tors. eta vs tors. theta energy: -3.204
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: 10
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -31.391589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.391589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.391589 (E_RNA)
where:
Base-Base interactions energy: -12.645
where: short stacking energy: -12.645
Base-Backbone interact. energy: -0.000
local terms energy: -18.746980
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -3.463
flat angles P-C4'-P energy: -2.406
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: 8, replica: 5
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -22.877312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.877312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.877312 (E_RNA)
where:
Base-Base interactions energy: -7.805
where: short stacking energy: -7.805
Base-Backbone interact. energy: -0.000
local terms energy: -15.071939
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.095
flat angles P-C4'-P energy: -3.167
tors. eta vs tors. theta energy: 0.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -22.381024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.381024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.381024 (E_RNA)
where:
Base-Base interactions energy: -8.211
where: short stacking energy: -8.211
Base-Backbone interact. energy: -0.000
local terms energy: -14.170402
where:
bonds (distance) C4'-P energy: -3.185
bonds (distance) P-C4' energy: -3.582
flat angles C4'-P-C4' energy: -3.781
flat angles P-C4'-P energy: -1.585
tors. eta vs tors. theta energy: -2.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -25.126555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.126555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.126555 (E_RNA)
where:
Base-Base interactions energy: -11.075
where: short stacking energy: -11.075
Base-Backbone interact. energy: -0.013
local terms energy: -14.037984
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -2.165
flat angles P-C4'-P energy: 0.668
tors. eta vs tors. theta energy: -3.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -37.606111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.606111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.606111 (E_RNA)
where:
Base-Base interactions energy: -17.957
where: short stacking energy: -17.957
Base-Backbone interact. energy: -0.000
local terms energy: -19.649523
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -3.343
flat angles C4'-P-C4' energy: -4.148
flat angles P-C4'-P energy: -3.580
tors. eta vs tors. theta energy: -4.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -30.182486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.182486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.182486 (E_RNA)
where:
Base-Base interactions energy: -13.290
where: short stacking energy: -13.290
Base-Backbone interact. energy: -0.003
local terms energy: -16.889285
where:
bonds (distance) C4'-P energy: -3.264
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -3.159
flat angles P-C4'-P energy: -3.873
tors. eta vs tors. theta energy: -1.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -32.484958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.484958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.484958 (E_RNA)
where:
Base-Base interactions energy: -12.113
where: short stacking energy: -12.113
Base-Backbone interact. energy: -0.000
local terms energy: -20.371570
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.510
flat angles P-C4'-P energy: -3.655
tors. eta vs tors. theta energy: -2.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -34.399287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.399287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.399287 (E_RNA)
where:
Base-Base interactions energy: -14.544
where: short stacking energy: -14.544
Base-Backbone interact. energy: -0.000
local terms energy: -19.855771
where:
bonds (distance) C4'-P energy: -4.332
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -3.947
flat angles P-C4'-P energy: -3.001
tors. eta vs tors. theta energy: -3.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -32.562027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.562027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.562027 (E_RNA)
where:
Base-Base interactions energy: -13.851
where: short stacking energy: -13.851
Base-Backbone interact. energy: -0.000
local terms energy: -18.711413
where:
bonds (distance) C4'-P energy: -3.923
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -4.273
flat angles P-C4'-P energy: -3.519
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: 6, replica: 10
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -29.203564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.203564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.203564 (E_RNA)
where:
Base-Base interactions energy: -11.785
where: short stacking energy: -11.785
Base-Backbone interact. energy: -0.000
local terms energy: -17.418256
where:
bonds (distance) C4'-P energy: -3.451
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.921
flat angles P-C4'-P energy: -0.341
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: 7, replica: 4
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -35.538152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.538152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.538152 (E_RNA)
where:
Base-Base interactions energy: -16.949
where: short stacking energy: -16.949
Base-Backbone interact. energy: -0.000
local terms energy: -18.588972
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -4.410
flat angles C4'-P-C4' energy: -4.201
flat angles P-C4'-P energy: -1.491
tors. eta vs tors. theta energy: -4.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -33.198229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.198229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.198229 (E_RNA)
where:
Base-Base interactions energy: -16.148
where: short stacking energy: -16.148
Base-Backbone interact. energy: -0.000
local terms energy: -17.050008
where:
bonds (distance) C4'-P energy: -2.556
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.128
flat angles P-C4'-P energy: -1.621
tors. eta vs tors. theta energy: -4.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -22.395832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.395832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.395832 (E_RNA)
where:
Base-Base interactions energy: -8.258
where: short stacking energy: -8.258
Base-Backbone interact. energy: -0.000
local terms energy: -14.137092
where:
bonds (distance) C4'-P energy: -0.035
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.262
flat angles P-C4'-P energy: -3.497
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: 10, replica: 9
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -23.245235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.245235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.245235 (E_RNA)
where:
Base-Base interactions energy: -8.014
where: short stacking energy: -5.544
Base-Backbone interact. energy: -0.005
local terms energy: -15.226166
where:
bonds (distance) C4'-P energy: -4.055
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -3.693
flat angles P-C4'-P energy: -2.740
tors. eta vs tors. theta energy: 0.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -35.866008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.866008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.866008 (E_RNA)
where:
Base-Base interactions energy: -13.964
where: short stacking energy: -13.964
Base-Backbone interact. energy: -0.000
local terms energy: -21.902431
where:
bonds (distance) C4'-P energy: -3.417
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -4.328
flat angles P-C4'-P energy: -3.873
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: 2, replica: 8
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -37.876423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.876423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.876423 (E_RNA)
where:
Base-Base interactions energy: -15.755
where: short stacking energy: -15.755
Base-Backbone interact. energy: -0.000
local terms energy: -22.121711
where:
bonds (distance) C4'-P energy: -4.303
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.628
flat angles P-C4'-P energy: -3.396
tors. eta vs tors. theta energy: -4.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -28.907224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.907224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.907224 (E_RNA)
where:
Base-Base interactions energy: -10.328
where: short stacking energy: -9.185
Base-Backbone interact. energy: -0.880
local terms energy: -17.699138
where:
bonds (distance) C4'-P energy: -3.699
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.202
flat angles P-C4'-P energy: -4.091
tors. eta vs tors. theta energy: -0.353
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: 450
Temperature: 1.050000
Total energy: -33.729021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.729021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.729021 (E_RNA)
where:
Base-Base interactions energy: -12.514
where: short stacking energy: -12.514
Base-Backbone interact. energy: -0.000
local terms energy: -21.215136
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.050
flat angles P-C4'-P energy: -3.340
tors. eta vs tors. theta energy: -4.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -30.249538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.249538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.249538 (E_RNA)
where:
Base-Base interactions energy: -12.210
where: short stacking energy: -8.747
Base-Backbone interact. energy: -0.099
local terms energy: -17.941201
where:
bonds (distance) C4'-P energy: -3.699
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -4.118
flat angles P-C4'-P energy: -3.034
tors. eta vs tors. theta energy: -2.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -27.839543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.839543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.839543 (E_RNA)
where:
Base-Base interactions energy: -11.779
where: short stacking energy: -11.779
Base-Backbone interact. energy: -0.000
local terms energy: -16.060551
where:
bonds (distance) C4'-P energy: -3.815
bonds (distance) P-C4' energy: -1.951
flat angles C4'-P-C4' energy: -3.813
flat angles P-C4'-P energy: -2.609
tors. eta vs tors. theta energy: -3.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -25.309125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.309125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.309125 (E_RNA)
where:
Base-Base interactions energy: -6.775
where: short stacking energy: -6.775
Base-Backbone interact. energy: -0.000
local terms energy: -18.534305
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.151
flat angles P-C4'-P energy: -2.852
tors. eta vs tors. theta energy: -3.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -25.443137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.443137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.443137 (E_RNA)
where:
Base-Base interactions energy: -8.425
where: short stacking energy: -8.425
Base-Backbone interact. energy: -0.082
local terms energy: -16.936446
where:
bonds (distance) C4'-P energy: -2.680
bonds (distance) P-C4' energy: -4.413
flat angles C4'-P-C4' energy: -3.342
flat angles P-C4'-P energy: -3.338
tors. eta vs tors. theta energy: -3.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -30.767769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.767769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.767769 (E_RNA)
where:
Base-Base interactions energy: -13.227
where: short stacking energy: -13.227
Base-Backbone interact. energy: -0.000
local terms energy: -17.541057
where:
bonds (distance) C4'-P energy: -3.194
bonds (distance) P-C4' energy: -3.265
flat angles C4'-P-C4' energy: -4.231
flat angles P-C4'-P energy: -4.091
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: 10, replica: 5
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -23.610548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.610548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.610548 (E_RNA)
where:
Base-Base interactions energy: -6.896
where: short stacking energy: -6.896
Base-Backbone interact. energy: -0.030
local terms energy: -16.684785
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -1.524
flat angles P-C4'-P energy: -3.072
tors. eta vs tors. theta energy: -2.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -37.548640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.548640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.548640 (E_RNA)
where:
Base-Base interactions energy: -17.033
where: short stacking energy: -17.033
Base-Backbone interact. energy: -0.000
local terms energy: -20.515564
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.394
flat angles P-C4'-P energy: -3.140
tors. eta vs tors. theta energy: -3.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -31.592452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.592452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.592452 (E_RNA)
where:
Base-Base interactions energy: -12.652
where: short stacking energy: -12.652
Base-Backbone interact. energy: -0.000
local terms energy: -18.940168
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -4.436
flat angles P-C4'-P energy: -2.376
tors. eta vs tors. theta energy: -2.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -29.938565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.938565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.938565 (E_RNA)
where:
Base-Base interactions energy: -13.815
where: short stacking energy: -8.524
Base-Backbone interact. energy: -0.582
local terms energy: -15.541338
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.766
flat angles P-C4'-P energy: -1.080
tors. eta vs tors. theta energy: -0.296
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: 451
Temperature: 1.050000
Total energy: -29.708438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.708438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.708438 (E_RNA)
where:
Base-Base interactions energy: -12.286
where: short stacking energy: -12.286
Base-Backbone interact. energy: -0.000
local terms energy: -17.422487
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -4.177
flat angles C4'-P-C4' energy: -4.456
flat angles P-C4'-P energy: -2.902
tors. eta vs tors. theta energy: -1.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -24.276577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.276577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.276577 (E_RNA)
where:
Base-Base interactions energy: -7.559
where: short stacking energy: -7.559
Base-Backbone interact. energy: -0.092
local terms energy: -16.625993
where:
bonds (distance) C4'-P energy: -4.419
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.223
flat angles P-C4'-P energy: -3.387
tors. eta vs tors. theta energy: -0.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -32.315513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.315513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.315513 (E_RNA)
where:
Base-Base interactions energy: -11.658
where: short stacking energy: -11.658
Base-Backbone interact. energy: -0.001
local terms energy: -20.655808
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.114
flat angles P-C4'-P energy: -3.567
tors. eta vs tors. theta energy: -3.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -26.444425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.444425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.444425 (E_RNA)
where:
Base-Base interactions energy: -14.065
where: short stacking energy: -14.065
Base-Backbone interact. energy: -0.000
local terms energy: -12.379786
where:
bonds (distance) C4'-P energy: -3.309
bonds (distance) P-C4' energy: -2.354
flat angles C4'-P-C4' energy: -4.647
flat angles P-C4'-P energy: -0.253
tors. eta vs tors. theta energy: -1.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -28.666031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.666031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.666031 (E_RNA)
where:
Base-Base interactions energy: -11.929
where: short stacking energy: -11.929
Base-Backbone interact. energy: -0.000
local terms energy: -16.736888
where:
bonds (distance) C4'-P energy: -2.085
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -4.118
flat angles P-C4'-P energy: -2.958
tors. eta vs tors. theta energy: -2.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -32.350193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.350193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.350193 (E_RNA)
where:
Base-Base interactions energy: -12.178
where: short stacking energy: -12.178
Base-Backbone interact. energy: -0.000
local terms energy: -20.172549
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.417
flat angles P-C4'-P energy: -3.777
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: 5
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -29.666699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.666699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.666699 (E_RNA)
where:
Base-Base interactions energy: -14.218
where: short stacking energy: -12.975
Base-Backbone interact. energy: 0.196
local terms energy: -15.644546
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.406
flat angles C4'-P-C4' energy: -3.479
flat angles P-C4'-P energy: -1.928
tors. eta vs tors. theta energy: -1.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -33.305454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.305454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.305454 (E_RNA)
where:
Base-Base interactions energy: -11.609
where: short stacking energy: -11.609
Base-Backbone interact. energy: -0.000
local terms energy: -21.695987
where:
bonds (distance) C4'-P energy: -3.691
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -4.525
flat angles P-C4'-P energy: -3.204
tors. eta vs tors. theta energy: -5.412
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: 7
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -34.579130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.579130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.579130 (E_RNA)
where:
Base-Base interactions energy: -14.832
where: short stacking energy: -14.832
Base-Backbone interact. energy: -0.000
local terms energy: -19.747594
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -3.872
flat angles P-C4'-P energy: -3.758
tors. eta vs tors. theta energy: -3.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -28.090819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.090819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.090819 (E_RNA)
where:
Base-Base interactions energy: -13.474
where: short stacking energy: -13.474
Base-Backbone interact. energy: -0.000
local terms energy: -14.616517
where:
bonds (distance) C4'-P energy: -2.138
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -4.609
flat angles P-C4'-P energy: -0.628
tors. eta vs tors. theta energy: -3.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -37.370480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.370480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.370480 (E_RNA)
where:
Base-Base interactions energy: -18.862
where: short stacking energy: -18.862
Base-Backbone interact. energy: -0.000
local terms energy: -18.508002
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -3.815
flat angles C4'-P-C4' energy: -4.611
flat angles P-C4'-P energy: -2.514
tors. eta vs tors. theta energy: -3.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -27.342126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.342126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.342126 (E_RNA)
where:
Base-Base interactions energy: -9.999
where: short stacking energy: -9.999
Base-Backbone interact. energy: -0.006
local terms energy: -17.337070
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -4.649
flat angles C4'-P-C4' energy: -4.383
flat angles P-C4'-P energy: -3.064
tors. eta vs tors. theta energy: -1.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -27.507038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.507038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.507038 (E_RNA)
where:
Base-Base interactions energy: -10.669
where: short stacking energy: -10.439
Base-Backbone interact. energy: -0.052
local terms energy: -16.785874
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -3.845
flat angles C4'-P-C4' energy: -4.029
flat angles P-C4'-P energy: -3.872
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: 7, replica: 9
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -25.091459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.091459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.091459 (E_RNA)
where:
Base-Base interactions energy: -8.111
where: short stacking energy: -8.111
Base-Backbone interact. energy: -0.000
local terms energy: -16.980288
where:
bonds (distance) C4'-P energy: -3.541
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.790
flat angles P-C4'-P energy: -2.425
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: 8, replica: 6
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -25.652402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.652402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.652402 (E_RNA)
where:
Base-Base interactions energy: -8.565
where: short stacking energy: -8.565
Base-Backbone interact. energy: -0.001
local terms energy: -17.086726
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -4.177
flat angles C4'-P-C4' energy: -4.153
flat angles P-C4'-P energy: -3.440
tors. eta vs tors. theta energy: -0.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -24.642253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.642253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.642253 (E_RNA)
where:
Base-Base interactions energy: -7.843
where: short stacking energy: -2.909
Base-Backbone interact. energy: -0.399
local terms energy: -16.399865
where:
bonds (distance) C4'-P energy: -3.781
bonds (distance) P-C4' energy: -3.360
flat angles C4'-P-C4' energy: -4.133
flat angles P-C4'-P energy: -3.509
tors. eta vs tors. theta energy: -1.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -29.084741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.084741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.084741 (E_RNA)
where:
Base-Base interactions energy: -10.675
where: short stacking energy: -10.675
Base-Backbone interact. energy: -0.000
local terms energy: -18.410068
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.152
flat angles C4'-P-C4' energy: -3.504
flat angles P-C4'-P energy: -3.077
tors. eta vs tors. theta energy: -3.283
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: 3
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -38.840223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.840223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.840223 (E_RNA)
where:
Base-Base interactions energy: -17.897
where: short stacking energy: -17.897
Base-Backbone interact. energy: -0.000
local terms energy: -20.943646
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.487
flat angles P-C4'-P energy: -3.738
tors. eta vs tors. theta energy: -3.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -33.356044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.356044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.356044 (E_RNA)
where:
Base-Base interactions energy: -13.025
where: short stacking energy: -13.025
Base-Backbone interact. energy: -0.000
local terms energy: -20.331058
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -4.674
flat angles C4'-P-C4' energy: -4.519
flat angles P-C4'-P energy: -3.296
tors. eta vs tors. theta energy: -3.841
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: 7
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -37.884612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.884612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.884612 (E_RNA)
where:
Base-Base interactions energy: -16.358
where: short stacking energy: -16.358
Base-Backbone interact. energy: -0.000
local terms energy: -21.526332
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.205
flat angles C4'-P-C4' energy: -4.195
flat angles P-C4'-P energy: -4.061
tors. eta vs tors. theta energy: -4.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -30.946810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.946810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.946810 (E_RNA)
where:
Base-Base interactions energy: -13.448
where: short stacking energy: -13.448
Base-Backbone interact. energy: -0.000
local terms energy: -17.498860
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.801
flat angles P-C4'-P energy: -2.542
tors. eta vs tors. theta energy: -1.580
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: 453
Temperature: 1.100000
Total energy: -26.609184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.609184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.609184 (E_RNA)
where:
Base-Base interactions energy: -8.534
where: short stacking energy: -8.534
Base-Backbone interact. energy: -0.065
local terms energy: -18.009851
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -4.832
flat angles C4'-P-C4' energy: -4.543
flat angles P-C4'-P energy: -3.586
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: 6, replica: 9
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -32.635985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.635985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.635985 (E_RNA)
where:
Base-Base interactions energy: -13.330
where: short stacking energy: -13.330
Base-Backbone interact. energy: -0.000
local terms energy: -19.306360
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.629
flat angles P-C4'-P energy: -1.642
tors. eta vs tors. theta energy: -3.398
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: 7, replica: 10
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -32.479466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.479466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.479466 (E_RNA)
where:
Base-Base interactions energy: -14.413
where: short stacking energy: -14.413
Base-Backbone interact. energy: -0.000
local terms energy: -18.066810
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -3.324
flat angles C4'-P-C4' energy: -4.280
flat angles P-C4'-P energy: -3.373
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: 8, replica: 5
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -30.188135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.188135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.188135 (E_RNA)
where:
Base-Base interactions energy: -12.882
where: short stacking energy: -12.882
Base-Backbone interact. energy: -0.000
local terms energy: -17.306203
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -3.652
flat angles C4'-P-C4' energy: -4.350
flat angles P-C4'-P energy: -2.624
tors. eta vs tors. theta energy: -2.385
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: 9, replica: 6
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -25.586084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.586084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.586084 (E_RNA)
where:
Base-Base interactions energy: -7.629
where: short stacking energy: -7.629
Base-Backbone interact. energy: -0.001
local terms energy: -17.956912
where:
bonds (distance) C4'-P energy: -3.923
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.527
flat angles P-C4'-P energy: -3.732
tors. eta vs tors. theta energy: -1.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -25.660673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.660673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.660673 (E_RNA)
where:
Base-Base interactions energy: -9.794
where: short stacking energy: -9.794
Base-Backbone interact. energy: -0.000
local terms energy: -15.866742
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -3.364
flat angles C4'-P-C4' energy: -4.350
flat angles P-C4'-P energy: -1.504
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: 8
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -33.747544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.747544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.747544 (E_RNA)
where:
Base-Base interactions energy: -15.317
where: short stacking energy: -15.317
Base-Backbone interact. energy: -0.000
local terms energy: -18.430177
where:
bonds (distance) C4'-P energy: -3.335
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -4.027
flat angles P-C4'-P energy: -2.893
tors. eta vs tors. theta energy: -3.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -40.881238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.881238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.881238 (E_RNA)
where:
Base-Base interactions energy: -21.836
where: short stacking energy: -13.079
Base-Backbone interact. energy: -0.004
local terms energy: -19.041074
where:
bonds (distance) C4'-P energy: -3.939
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -3.928
flat angles P-C4'-P energy: -3.757
tors. eta vs tors. theta energy: -2.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -35.371125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.371125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.371125 (E_RNA)
where:
Base-Base interactions energy: -15.404
where: short stacking energy: -15.404
Base-Backbone interact. energy: -0.000
local terms energy: -19.967542
where:
bonds (distance) C4'-P energy: -3.380
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.102
flat angles P-C4'-P energy: -2.951
tors. eta vs tors. theta energy: -4.413
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: 7
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -36.186398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.186398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.186398 (E_RNA)
where:
Base-Base interactions energy: -16.391
where: short stacking energy: -16.391
Base-Backbone interact. energy: -0.000
local terms energy: -19.795741
where:
bonds (distance) C4'-P energy: -3.682
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -3.124
flat angles P-C4'-P energy: -2.568
tors. eta vs tors. theta energy: -5.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -29.602484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.602484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.602484 (E_RNA)
where:
Base-Base interactions energy: -12.930
where: short stacking energy: -12.930
Base-Backbone interact. energy: -0.000
local terms energy: -16.672760
where:
bonds (distance) C4'-P energy: -1.116
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.394
flat angles P-C4'-P energy: -2.704
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: 6, replica: 2
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -24.472617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.472617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.472617 (E_RNA)
where:
Base-Base interactions energy: -8.827
where: short stacking energy: -8.827
Base-Backbone interact. energy: -0.007
local terms energy: -15.638333
where:
bonds (distance) C4'-P energy: -2.672
bonds (distance) P-C4' energy: -3.751
flat angles C4'-P-C4' energy: -3.781
flat angles P-C4'-P energy: -3.643
tors. eta vs tors. theta energy: -1.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -23.575663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.575663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.575663 (E_RNA)
where:
Base-Base interactions energy: -6.423
where: short stacking energy: -6.423
Base-Backbone interact. energy: -0.000
local terms energy: -17.152652
where:
bonds (distance) C4'-P energy: -3.923
bonds (distance) P-C4' energy: -4.653
flat angles C4'-P-C4' energy: -4.206
flat angles P-C4'-P energy: -3.197
tors. eta vs tors. theta energy: -1.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -24.272090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.272090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.272090 (E_RNA)
where:
Base-Base interactions energy: -7.695
where: short stacking energy: -7.695
Base-Backbone interact. energy: -0.096
local terms energy: -16.481233
where:
bonds (distance) C4'-P energy: -2.689
bonds (distance) P-C4' energy: -3.490
flat angles C4'-P-C4' energy: -4.510
flat angles P-C4'-P energy: -2.924
tors. eta vs tors. theta energy: -2.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -27.639853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.639853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.639853 (E_RNA)
where:
Base-Base interactions energy: -8.630
where: short stacking energy: -8.630
Base-Backbone interact. energy: -0.000
local terms energy: -19.009997
where:
bonds (distance) C4'-P energy: -4.303
bonds (distance) P-C4' energy: -4.892
flat angles C4'-P-C4' energy: -3.756
flat angles P-C4'-P energy: -3.807
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: 10, replica: 6
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -25.451080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.451080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.451080 (E_RNA)
where:
Base-Base interactions energy: -7.164
where: short stacking energy: -7.164
Base-Backbone interact. energy: -0.000
local terms energy: -18.287054
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -3.796
flat angles P-C4'-P energy: -2.738
tors. eta vs tors. theta energy: -2.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -31.987020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.987020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.987020 (E_RNA)
where:
Base-Base interactions energy: -14.906
where: short stacking energy: -14.906
Base-Backbone interact. energy: -0.001
local terms energy: -17.080645
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.413
flat angles C4'-P-C4' energy: -3.125
flat angles P-C4'-P energy: -2.857
tors. eta vs tors. theta energy: -2.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -36.704451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.704451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.704451 (E_RNA)
where:
Base-Base interactions energy: -15.163
where: short stacking energy: -15.163
Base-Backbone interact. energy: -0.000
local terms energy: -21.541150
where:
bonds (distance) C4'-P energy: -3.433
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.786
flat angles P-C4'-P energy: -3.184
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: 3, replica: 3
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -31.065104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.065104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.065104 (E_RNA)
where:
Base-Base interactions energy: -11.071
where: short stacking energy: -11.071
Base-Backbone interact. energy: -0.000
local terms energy: -19.994203
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.042
flat angles P-C4'-P energy: -2.569
tors. eta vs tors. theta energy: -4.502
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: 9
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -32.289273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.289273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.289273 (E_RNA)
where:
Base-Base interactions energy: -15.003
where: short stacking energy: -15.003
Base-Backbone interact. energy: -0.000
local terms energy: -17.286150
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.603
flat angles C4'-P-C4' energy: -3.461
flat angles P-C4'-P energy: -2.011
tors. eta vs tors. theta energy: -2.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -34.783583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.783583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.783583 (E_RNA)
where:
Base-Base interactions energy: -16.712
where: short stacking energy: -16.712
Base-Backbone interact. energy: -0.000
local terms energy: -18.071095
where:
bonds (distance) C4'-P energy: -2.006
bonds (distance) P-C4' energy: -4.174
flat angles C4'-P-C4' energy: -4.519
flat angles P-C4'-P energy: -2.641
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: 6, replica: 5
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -30.618266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.618266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.618266 (E_RNA)
where:
Base-Base interactions energy: -12.333
where: short stacking energy: -12.333
Base-Backbone interact. energy: -0.000
local terms energy: -18.285017
where:
bonds (distance) C4'-P energy: -3.513
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -4.577
flat angles P-C4'-P energy: -3.065
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: 7, replica: 2
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -25.835486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.835486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.835486 (E_RNA)
where:
Base-Base interactions energy: -8.867
where: short stacking energy: -8.867
Base-Backbone interact. energy: -0.000
local terms energy: -16.968525
where:
bonds (distance) C4'-P energy: -3.194
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -4.027
flat angles P-C4'-P energy: -3.204
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: 8, replica: 10
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -28.506541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.506541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.506541 (E_RNA)
where:
Base-Base interactions energy: -11.327
where: short stacking energy: -11.327
Base-Backbone interact. energy: -0.000
local terms energy: -17.179053
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.339
flat angles C4'-P-C4' energy: -4.543
flat angles P-C4'-P energy: -1.740
tors. eta vs tors. theta energy: -2.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -30.154234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.154234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.154234 (E_RNA)
where:
Base-Base interactions energy: -12.559
where: short stacking energy: -12.559
Base-Backbone interact. energy: -0.000
local terms energy: -17.595108
where:
bonds (distance) C4'-P energy: -4.419
bonds (distance) P-C4' energy: -3.981
flat angles C4'-P-C4' energy: -2.591
flat angles P-C4'-P energy: -2.788
tors. eta vs tors. theta energy: -3.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -22.317741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.317741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.317741 (E_RNA)
where:
Base-Base interactions energy: -6.012
where: short stacking energy: -6.012
Base-Backbone interact. energy: -0.037
local terms energy: -16.269385
where:
bonds (distance) C4'-P energy: -3.363
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -4.291
flat angles P-C4'-P energy: -3.901
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: 1, replica: 1
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -40.073746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.073746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.073746 (E_RNA)
where:
Base-Base interactions energy: -18.090
where: short stacking energy: -18.090
Base-Backbone interact. energy: -0.000
local terms energy: -21.983771
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.647
flat angles P-C4'-P energy: -2.820
tors. eta vs tors. theta energy: -4.996
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: 456
Temperature: 0.950000
Total energy: -33.259568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.259568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.259568 (E_RNA)
where:
Base-Base interactions energy: -13.938
where: short stacking energy: -13.938
Base-Backbone interact. energy: -0.000
local terms energy: -19.321915
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -3.327
flat angles C4'-P-C4' energy: -4.595
flat angles P-C4'-P energy: -3.278
tors. eta vs tors. theta energy: -3.905
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: 9
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -28.625907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.625907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.625907 (E_RNA)
where:
Base-Base interactions energy: -11.030
where: short stacking energy: -11.030
Base-Backbone interact. energy: -0.000
local terms energy: -17.595481
where:
bonds (distance) C4'-P energy: -3.558
bonds (distance) P-C4' energy: -4.346
flat angles C4'-P-C4' energy: -4.766
flat angles P-C4'-P energy: -1.437
tors. eta vs tors. theta energy: -3.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -36.105678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.105678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.105678 (E_RNA)
where:
Base-Base interactions energy: -18.692
where: short stacking energy: -8.513
Base-Backbone interact. energy: -0.004
local terms energy: -17.409677
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -3.349
flat angles C4'-P-C4' energy: -4.032
flat angles P-C4'-P energy: -3.979
tors. eta vs tors. theta energy: -1.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -29.091852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.091852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.091852 (E_RNA)
where:
Base-Base interactions energy: -12.107
where: short stacking energy: -12.107
Base-Backbone interact. energy: -0.018
local terms energy: -16.967054
where:
bonds (distance) C4'-P energy: -3.277
bonds (distance) P-C4' energy: -3.815
flat angles C4'-P-C4' energy: -4.574
flat angles P-C4'-P energy: -3.150
tors. eta vs tors. theta energy: -2.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -29.881187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.881187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.881187 (E_RNA)
where:
Base-Base interactions energy: -12.169
where: short stacking energy: -10.784
Base-Backbone interact. energy: -0.000
local terms energy: -17.711801
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -3.360
flat angles C4'-P-C4' energy: -4.731
flat angles P-C4'-P energy: -2.826
tors. eta vs tors. theta energy: -2.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -36.104725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.104725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.104725 (E_RNA)
where:
Base-Base interactions energy: -14.464
where: short stacking energy: -14.464
Base-Backbone interact. energy: -0.000
local terms energy: -21.641136
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -4.253
flat angles P-C4'-P energy: -2.979
tors. eta vs tors. theta energy: -5.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -23.229682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.229682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.229682 (E_RNA)
where:
Base-Base interactions energy: -6.370
where: short stacking energy: -6.370
Base-Backbone interact. energy: -0.001
local terms energy: -16.858786
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.285
flat angles P-C4'-P energy: -3.477
tors. eta vs tors. theta energy: -0.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -22.740638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.740638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.740638 (E_RNA)
where:
Base-Base interactions energy: -10.019
where: short stacking energy: -10.019
Base-Backbone interact. energy: -0.000
local terms energy: -12.721776
where:
bonds (distance) C4'-P energy: -2.457
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.148
flat angles P-C4'-P energy: -1.446
tors. eta vs tors. theta energy: 0.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -24.536792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.536792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.536792 (E_RNA)
where:
Base-Base interactions energy: -5.081
where: short stacking energy: -5.081
Base-Backbone interact. energy: -0.000
local terms energy: -19.456125
where:
bonds (distance) C4'-P energy: -4.419
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -4.573
flat angles P-C4'-P energy: -3.222
tors. eta vs tors. theta energy: -2.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -37.943764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.943764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.943764 (E_RNA)
where:
Base-Base interactions energy: -17.718
where: short stacking energy: -17.718
Base-Backbone interact. energy: -0.000
local terms energy: -20.225805
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -4.379
flat angles P-C4'-P energy: -2.639
tors. eta vs tors. theta energy: -4.558
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: 457
Temperature: 0.950000
Total energy: -31.573901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.573901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.573901 (E_RNA)
where:
Base-Base interactions energy: -11.780
where: short stacking energy: -11.780
Base-Backbone interact. energy: -0.000
local terms energy: -19.794104
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -3.764
flat angles P-C4'-P energy: -3.190
tors. eta vs tors. theta energy: -3.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -37.181620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.181620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.181620 (E_RNA)
where:
Base-Base interactions energy: -16.759
where: short stacking energy: -16.759
Base-Backbone interact. energy: -0.000
local terms energy: -20.422278
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.097
flat angles P-C4'-P energy: -2.577
tors. eta vs tors. theta energy: -5.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -31.580712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.580712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.580712 (E_RNA)
where:
Base-Base interactions energy: -12.000
where: short stacking energy: -12.000
Base-Backbone interact. energy: -0.000
local terms energy: -19.581130
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.600
flat angles C4'-P-C4' energy: -4.430
flat angles P-C4'-P energy: -2.370
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: 5, replica: 3
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -27.104009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.104009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.104009 (E_RNA)
where:
Base-Base interactions energy: -11.826
where: short stacking energy: -11.826
Base-Backbone interact. energy: -0.056
local terms energy: -15.222368
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -2.136
flat angles P-C4'-P energy: -2.030
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: 6, replica: 10
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -26.242678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.242678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.242678 (E_RNA)
where:
Base-Base interactions energy: -9.220
where: short stacking energy: -9.220
Base-Backbone interact. energy: -0.000
local terms energy: -17.023127
where:
bonds (distance) C4'-P energy: -2.275
bonds (distance) P-C4' energy: -3.588
flat angles C4'-P-C4' energy: -4.577
flat angles P-C4'-P energy: -2.767
tors. eta vs tors. theta energy: -3.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -27.028227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.028227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.028227 (E_RNA)
where:
Base-Base interactions energy: -7.383
where: short stacking energy: -7.383
Base-Backbone interact. energy: -0.000
local terms energy: -19.645475
where:
bonds (distance) C4'-P energy: -4.055
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -2.861
flat angles P-C4'-P energy: -3.873
tors. eta vs tors. theta energy: -3.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -25.511559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.511559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.511559 (E_RNA)
where:
Base-Base interactions energy: -12.438
where: short stacking energy: -12.438
Base-Backbone interact. energy: -0.000
local terms energy: -13.073437
where:
bonds (distance) C4'-P energy: -2.797
bonds (distance) P-C4' energy: -4.336
flat angles C4'-P-C4' energy: -2.021
flat angles P-C4'-P energy: -1.640
tors. eta vs tors. theta energy: -2.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -26.823535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.823535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.823535 (E_RNA)
where:
Base-Base interactions energy: -11.648
where: short stacking energy: -11.648
Base-Backbone interact. energy: -0.000
local terms energy: -15.175397
where:
bonds (distance) C4'-P energy: -3.522
bonds (distance) P-C4' energy: -3.941
flat angles C4'-P-C4' energy: -3.697
flat angles P-C4'-P energy: -2.931
tors. eta vs tors. theta energy: -1.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -25.193122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.193122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.193122 (E_RNA)
where:
Base-Base interactions energy: -8.507
where: short stacking energy: -8.507
Base-Backbone interact. energy: -0.000
local terms energy: -16.686382
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.392
flat angles C4'-P-C4' energy: -3.970
flat angles P-C4'-P energy: -1.968
tors. eta vs tors. theta energy: -1.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -38.067997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.067997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.067997 (E_RNA)
where:
Base-Base interactions energy: -17.110
where: short stacking energy: -17.110
Base-Backbone interact. energy: -0.000
local terms energy: -20.957855
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -4.130
flat angles P-C4'-P energy: -3.027
tors. eta vs tors. theta energy: -5.029
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: 9
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -33.883417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.883417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.883417 (E_RNA)
where:
Base-Base interactions energy: -13.693
where: short stacking energy: -13.693
Base-Backbone interact. energy: -0.000
local terms energy: -20.190688
where:
bonds (distance) C4'-P energy: -3.745
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -3.924
flat angles P-C4'-P energy: -3.234
tors. eta vs tors. theta energy: -4.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -32.827415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.827415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.827415 (E_RNA)
where:
Base-Base interactions energy: -13.227
where: short stacking energy: -13.227
Base-Backbone interact. energy: -0.000
local terms energy: -19.600228
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.485
flat angles P-C4'-P energy: -2.362
tors. eta vs tors. theta energy: -3.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -32.728707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.728707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.728707 (E_RNA)
where:
Base-Base interactions energy: -12.887
where: short stacking energy: -12.887
Base-Backbone interact. energy: -0.000
local terms energy: -19.842129
where:
bonds (distance) C4'-P energy: -4.154
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -4.452
flat angles P-C4'-P energy: -2.486
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: 5, replica: 10
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -29.382895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.382895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.382895 (E_RNA)
where:
Base-Base interactions energy: -13.704
where: short stacking energy: -3.954
Base-Backbone interact. energy: -0.075
local terms energy: -15.603873
where:
bonds (distance) C4'-P energy: -4.055
bonds (distance) P-C4' energy: -3.395
flat angles C4'-P-C4' energy: -4.286
flat angles P-C4'-P energy: -3.417
tors. eta vs tors. theta energy: -0.451
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: 6, replica: 3
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -26.412250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.412250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.412250 (E_RNA)
where:
Base-Base interactions energy: -6.873
where: short stacking energy: -6.873
Base-Backbone interact. energy: -0.000
local terms energy: -19.539416
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.853
flat angles P-C4'-P energy: -3.825
tors. eta vs tors. theta energy: -2.659
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: 7, replica: 7
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -29.672873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.672873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.672873 (E_RNA)
where:
Base-Base interactions energy: -11.118
where: short stacking energy: -11.118
Base-Backbone interact. energy: -0.000
local terms energy: -18.554615
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -2.123
flat angles P-C4'-P energy: -2.566
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: 8, replica: 6
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -22.093288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.093288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.093288 (E_RNA)
where:
Base-Base interactions energy: -7.339
where: short stacking energy: -7.339
Base-Backbone interact. energy: -0.006
local terms energy: -14.748606
where:
bonds (distance) C4'-P energy: -3.256
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -3.137
flat angles P-C4'-P energy: -2.013
tors. eta vs tors. theta energy: -1.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -30.046272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.046272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.046272 (E_RNA)
where:
Base-Base interactions energy: -16.640
where: short stacking energy: -7.938
Base-Backbone interact. energy: -0.003
local terms energy: -13.402904
where:
bonds (distance) C4'-P energy: -1.057
bonds (distance) P-C4' energy: -3.726
flat angles C4'-P-C4' energy: -3.646
flat angles P-C4'-P energy: -3.778
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: 2
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -22.147850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.147850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.147850 (E_RNA)
where:
Base-Base interactions energy: -7.631
where: short stacking energy: -7.631
Base-Backbone interact. energy: -0.001
local terms energy: -14.515933
where:
bonds (distance) C4'-P energy: -3.673
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.417
flat angles P-C4'-P energy: -1.817
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: 1, replica: 1
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -39.428295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.428295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.428295 (E_RNA)
where:
Base-Base interactions energy: -17.855
where: short stacking energy: -17.855
Base-Backbone interact. energy: -0.000
local terms energy: -21.573011
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -4.594
flat angles P-C4'-P energy: -2.788
tors. eta vs tors. theta energy: -4.716
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: 5
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -34.076078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.076078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.076078 (E_RNA)
where:
Base-Base interactions energy: -14.641
where: short stacking energy: -14.641
Base-Backbone interact. energy: -0.000
local terms energy: -19.435495
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.314
flat angles C4'-P-C4' energy: -3.782
flat angles P-C4'-P energy: -3.947
tors. eta vs tors. theta energy: -3.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -31.252800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.252800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.252800 (E_RNA)
where:
Base-Base interactions energy: -14.673
where: short stacking energy: -14.673
Base-Backbone interact. energy: -0.000
local terms energy: -16.579599
where:
bonds (distance) C4'-P energy: -2.980
bonds (distance) P-C4' energy: -3.984
flat angles C4'-P-C4' energy: -4.384
flat angles P-C4'-P energy: -1.674
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: 4, replica: 10
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -31.025137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.025137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.025137 (E_RNA)
where:
Base-Base interactions energy: -11.674
where: short stacking energy: -11.674
Base-Backbone interact. energy: -0.000
local terms energy: -19.351490
where:
bonds (distance) C4'-P energy: -2.859
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -4.130
flat angles P-C4'-P energy: -3.336
tors. eta vs tors. theta energy: -3.680
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: 459
Temperature: 1.100000
Total energy: -27.252712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.252712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.252712 (E_RNA)
where:
Base-Base interactions energy: -11.273
where: short stacking energy: -11.273
Base-Backbone interact. energy: -0.094
local terms energy: -15.885968
where:
bonds (distance) C4'-P energy: -3.016
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -2.470
flat angles P-C4'-P energy: -2.920
tors. eta vs tors. theta energy: -2.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -27.351855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.351855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.351855 (E_RNA)
where:
Base-Base interactions energy: -8.890
where: short stacking energy: -8.890
Base-Backbone interact. energy: -0.000
local terms energy: -18.461483
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -4.600
flat angles C4'-P-C4' energy: -3.457
flat angles P-C4'-P energy: -3.351
tors. eta vs tors. theta energy: -2.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -33.283782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.283782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.283782 (E_RNA)
where:
Base-Base interactions energy: -12.887
where: short stacking energy: -12.887
Base-Backbone interact. energy: -0.000
local terms energy: -20.396838
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.130
flat angles P-C4'-P energy: -3.303
tors. eta vs tors. theta energy: -3.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -24.918938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.918938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.918938 (E_RNA)
where:
Base-Base interactions energy: -9.751
where: short stacking energy: -7.895
Base-Backbone interact. energy: -0.087
local terms energy: -15.080744
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -4.649
flat angles C4'-P-C4' energy: -3.167
flat angles P-C4'-P energy: -2.341
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: 9, replica: 6
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -26.236896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.236896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.236896 (E_RNA)
where:
Base-Base interactions energy: -9.250
where: short stacking energy: -9.250
Base-Backbone interact. energy: -0.052
local terms energy: -16.934872
where:
bonds (distance) C4'-P energy: -3.773
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.717
flat angles P-C4'-P energy: -2.201
tors. eta vs tors. theta energy: -1.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -23.887544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.887544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.887544 (E_RNA)
where:
Base-Base interactions energy: -8.988
where: short stacking energy: -8.988
Base-Backbone interact. energy: -0.000
local terms energy: -14.899914
where:
bonds (distance) C4'-P energy: -3.032
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.289
flat angles P-C4'-P energy: -3.364
tors. eta vs tors. theta energy: -0.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -35.958226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.958226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.958226 (E_RNA)
where:
Base-Base interactions energy: -16.384
where: short stacking energy: -16.384
Base-Backbone interact. energy: -0.000
local terms energy: -19.574391
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -3.981
flat angles C4'-P-C4' energy: -4.820
flat angles P-C4'-P energy: -2.441
tors. eta vs tors. theta energy: -3.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -36.912995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.912995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.912995 (E_RNA)
where:
Base-Base interactions energy: -18.047
where: short stacking energy: -18.047
Base-Backbone interact. energy: -0.000
local terms energy: -18.865558
where:
bonds (distance) C4'-P energy: -2.867
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -4.044
flat angles P-C4'-P energy: -3.376
tors. eta vs tors. theta energy: -3.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -28.395009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.395009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.395009 (E_RNA)
where:
Base-Base interactions energy: -11.829
where: short stacking energy: -11.829
Base-Backbone interact. energy: -0.002
local terms energy: -16.564530
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.722
flat angles P-C4'-P energy: -2.024
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: 4, replica: 9
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -37.370139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.370139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.370139 (E_RNA)
where:
Base-Base interactions energy: -16.687
where: short stacking energy: -16.687
Base-Backbone interact. energy: -0.000
local terms energy: -20.683084
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.406
flat angles C4'-P-C4' energy: -4.395
flat angles P-C4'-P energy: -3.643
tors. eta vs tors. theta energy: -3.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -32.077623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.077623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.077623 (E_RNA)
where:
Base-Base interactions energy: -13.794
where: short stacking energy: -13.794
Base-Backbone interact. energy: -0.000
local terms energy: -18.283952
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.006
flat angles P-C4'-P energy: -2.098
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: 6, replica: 8
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -27.163931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.163931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.163931 (E_RNA)
where:
Base-Base interactions energy: -11.335
where: short stacking energy: -11.335
Base-Backbone interact. energy: -0.000
local terms energy: -15.828810
where:
bonds (distance) C4'-P energy: -2.743
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -2.218
flat angles P-C4'-P energy: -3.397
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: 7, replica: 4
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -23.905370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.905370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.905370 (E_RNA)
where:
Base-Base interactions energy: -9.687
where: short stacking energy: -9.687
Base-Backbone interact. energy: -0.000
local terms energy: -14.218002
where:
bonds (distance) C4'-P energy: -1.716
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.758
flat angles P-C4'-P energy: -0.599
tors. eta vs tors. theta energy: -2.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -28.370156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.370156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.370156 (E_RNA)
where:
Base-Base interactions energy: -12.258
where: short stacking energy: -12.258
Base-Backbone interact. energy: -0.000
local terms energy: -16.111960
where:
bonds (distance) C4'-P energy: -3.372
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -4.750
flat angles P-C4'-P energy: -0.834
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: 2
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -25.639539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.639539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.639539 (E_RNA)
where:
Base-Base interactions energy: -9.026
where: short stacking energy: -9.026
Base-Backbone interact. energy: -0.001
local terms energy: -16.611758
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -4.653
flat angles C4'-P-C4' energy: -4.396
flat angles P-C4'-P energy: -2.682
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: 10, replica: 6
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -24.923294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.923294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.923294 (E_RNA)
where:
Base-Base interactions energy: -8.751
where: short stacking energy: -8.751
Base-Backbone interact. energy: -0.072
local terms energy: -16.100132
where:
bonds (distance) C4'-P energy: -3.923
bonds (distance) P-C4' energy: -4.336
flat angles C4'-P-C4' energy: -4.111
flat angles P-C4'-P energy: -2.284
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: 5
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -38.436042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.436042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.436042 (E_RNA)
where:
Base-Base interactions energy: -17.009
where: short stacking energy: -17.009
Base-Backbone interact. energy: -0.000
local terms energy: -21.427117
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -4.276
flat angles P-C4'-P energy: -2.951
tors. eta vs tors. theta energy: -5.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -37.699563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.699563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.699563 (E_RNA)
where:
Base-Base interactions energy: -16.331
where: short stacking energy: -16.331
Base-Backbone interact. energy: -0.000
local terms energy: -21.368494
where:
bonds (distance) C4'-P energy: -3.939
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.328
flat angles P-C4'-P energy: -3.264
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: 3, replica: 1
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -28.413339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.413339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.413339 (E_RNA)
where:
Base-Base interactions energy: -9.996
where: short stacking energy: -6.992
Base-Backbone interact. energy: -0.005
local terms energy: -18.411803
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -3.652
flat angles C4'-P-C4' energy: -4.731
flat angles P-C4'-P energy: -3.901
tors. eta vs tors. theta energy: -1.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -30.218962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.218962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.218962 (E_RNA)
where:
Base-Base interactions energy: -14.205
where: short stacking energy: -14.205
Base-Backbone interact. energy: -0.000
local terms energy: -16.013518
where:
bonds (distance) C4'-P energy: -3.256
bonds (distance) P-C4' energy: -4.842
flat angles C4'-P-C4' energy: -3.047
flat angles P-C4'-P energy: -2.974
tors. eta vs tors. theta energy: -1.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -29.747665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.747665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.747665 (E_RNA)
where:
Base-Base interactions energy: -14.167
where: short stacking energy: -14.167
Base-Backbone interact. energy: -0.000
local terms energy: -15.580652
where:
bonds (distance) C4'-P energy: -2.022
bonds (distance) P-C4' energy: -4.047
flat angles C4'-P-C4' energy: -3.968
flat angles P-C4'-P energy: -3.936
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: 6, replica: 4
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -29.007310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.007310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.007310 (E_RNA)
where:
Base-Base interactions energy: -10.443
where: short stacking energy: -10.443
Base-Backbone interact. energy: -0.000
local terms energy: -18.564297
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.485
flat angles P-C4'-P energy: -3.221
tors. eta vs tors. theta energy: -2.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -29.702026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.702026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.702026 (E_RNA)
where:
Base-Base interactions energy: -10.191
where: short stacking energy: -10.191
Base-Backbone interact. energy: -0.000
local terms energy: -19.511166
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -4.632
flat angles P-C4'-P energy: -0.920
tors. eta vs tors. theta energy: -4.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -23.656998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.656998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.656998 (E_RNA)
where:
Base-Base interactions energy: -11.581
where: short stacking energy: -11.581
Base-Backbone interact. energy: -0.013
local terms energy: -12.062715
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -4.205
flat angles C4'-P-C4' energy: -3.677
flat angles P-C4'-P energy: 1.347
tors. eta vs tors. theta energy: -1.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -26.269468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.269468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.269468 (E_RNA)
where:
Base-Base interactions energy: -8.974
where: short stacking energy: -8.974
Base-Backbone interact. energy: -0.000
local terms energy: -17.295560
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -3.438
flat angles P-C4'-P energy: -0.161
tors. eta vs tors. theta energy: -4.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -25.798504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.798504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.798504 (E_RNA)
where:
Base-Base interactions energy: -10.006
where: short stacking energy: -10.006
Base-Backbone interact. energy: -0.000
local terms energy: -15.792395
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -3.329
flat angles C4'-P-C4' energy: -0.816
flat angles P-C4'-P energy: -3.606
tors. eta vs tors. theta energy: -3.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -37.678851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.678851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.678851 (E_RNA)
where:
Base-Base interactions energy: -18.331
where: short stacking energy: -18.331
Base-Backbone interact. energy: -0.000
local terms energy: -19.347641
where:
bonds (distance) C4'-P energy: -1.943
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -3.674
flat angles P-C4'-P energy: -3.525
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: 2, replica: 5
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -37.235499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.235499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.235499 (E_RNA)
where:
Base-Base interactions energy: -17.543
where: short stacking energy: -17.543
Base-Backbone interact. energy: -0.000
local terms energy: -19.692419
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -4.118
flat angles P-C4'-P energy: -2.126
tors. eta vs tors. theta energy: -4.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -31.711473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.711473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.711473 (E_RNA)
where:
Base-Base interactions energy: -12.763
where: short stacking energy: -12.763
Base-Backbone interact. energy: -0.000
local terms energy: -18.948073
where:
bonds (distance) C4'-P energy: -3.773
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -2.180
flat angles P-C4'-P energy: -2.829
tors. eta vs tors. theta energy: -4.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -30.898225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.898225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.898225 (E_RNA)
where:
Base-Base interactions energy: -15.293
where: short stacking energy: -15.293
Base-Backbone interact. energy: -0.000
local terms energy: -15.605643
where:
bonds (distance) C4'-P energy: -2.387
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.401
flat angles P-C4'-P energy: -2.619
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: 5, replica: 4
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -33.794965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.794965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.794965 (E_RNA)
where:
Base-Base interactions energy: -19.162
where: short stacking energy: -10.234
Base-Backbone interact. energy: -0.000
local terms energy: -14.633087
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -3.582
flat angles C4'-P-C4' energy: -3.786
flat angles P-C4'-P energy: -0.322
tors. eta vs tors. theta energy: -2.942
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: 9
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -29.119840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.119840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.119840 (E_RNA)
where:
Base-Base interactions energy: -10.266
where: short stacking energy: -10.266
Base-Backbone interact. energy: -0.000
local terms energy: -18.854113
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.011
flat angles P-C4'-P energy: -2.966
tors. eta vs tors. theta energy: -3.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -25.307802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.307802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.307802 (E_RNA)
where:
Base-Base interactions energy: -12.004
where: short stacking energy: -5.004
Base-Backbone interact. energy: -0.062
local terms energy: -13.242253
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -4.369
flat angles P-C4'-P energy: -2.951
tors. eta vs tors. theta energy: 2.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -25.763737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.763737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.763737 (E_RNA)
where:
Base-Base interactions energy: -8.536
where: short stacking energy: -8.536
Base-Backbone interact. energy: -0.000
local terms energy: -17.228157
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.276
flat angles P-C4'-P energy: -3.079
tors. eta vs tors. theta energy: -1.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -23.241510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.241510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.241510 (E_RNA)
where:
Base-Base interactions energy: -8.685
where: short stacking energy: -8.685
Base-Backbone interact. energy: -0.072
local terms energy: -14.483703
where:
bonds (distance) C4'-P energy: -4.750
bonds (distance) P-C4' energy: -4.051
flat angles C4'-P-C4' energy: -3.248
flat angles P-C4'-P energy: -1.496
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: 10, replica: 3
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -20.429515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.429515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.429515 (E_RNA)
where:
Base-Base interactions energy: -6.597
where: short stacking energy: -6.597
Base-Backbone interact. energy: -0.042
local terms energy: -13.790681
where:
bonds (distance) C4'-P energy: -2.556
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -2.960
flat angles P-C4'-P energy: -2.839
tors. eta vs tors. theta energy: -0.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -37.235754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.235754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.235754 (E_RNA)
where:
Base-Base interactions energy: -18.335
where: short stacking energy: -18.335
Base-Backbone interact. energy: -0.000
local terms energy: -18.900289
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.628
flat angles C4'-P-C4' energy: -4.558
flat angles P-C4'-P energy: -0.786
tors. eta vs tors. theta energy: -4.418
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: 7
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -35.697684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.697684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.697684 (E_RNA)
where:
Base-Base interactions energy: -19.525
where: short stacking energy: -13.208
Base-Backbone interact. energy: -0.009
local terms energy: -16.163133
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.591
flat angles P-C4'-P energy: -2.987
tors. eta vs tors. theta energy: 0.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -29.970310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.970310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.970310 (E_RNA)
where:
Base-Base interactions energy: -12.461
where: short stacking energy: -12.461
Base-Backbone interact. energy: -0.000
local terms energy: -17.508900
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.924
flat angles P-C4'-P energy: -2.385
tors. eta vs tors. theta energy: -1.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -31.886739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.886739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.886739 (E_RNA)
where:
Base-Base interactions energy: -13.194
where: short stacking energy: -13.194
Base-Backbone interact. energy: -0.002
local terms energy: -18.690151
where:
bonds (distance) C4'-P energy: -3.923
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -2.883
flat angles P-C4'-P energy: -3.669
tors. eta vs tors. theta energy: -3.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -36.837394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.837394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.837394 (E_RNA)
where:
Base-Base interactions energy: -17.503
where: short stacking energy: -17.503
Base-Backbone interact. energy: -0.000
local terms energy: -19.334772
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -2.850
flat angles P-C4'-P energy: -3.835
tors. eta vs tors. theta energy: -4.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -24.877221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.877221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.877221 (E_RNA)
where:
Base-Base interactions energy: -9.164
where: short stacking energy: -9.164
Base-Backbone interact. energy: -0.001
local terms energy: -15.712093
where:
bonds (distance) C4'-P energy: -3.053
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.485
flat angles P-C4'-P energy: -1.325
tors. eta vs tors. theta energy: -2.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -28.231394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.231394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.231394 (E_RNA)
where:
Base-Base interactions energy: -11.293
where: short stacking energy: -11.293
Base-Backbone interact. energy: -0.000
local terms energy: -16.938759
where:
bonds (distance) C4'-P energy: -3.708
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.129
flat angles P-C4'-P energy: -0.772
tors. eta vs tors. theta energy: -3.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -26.188660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.188660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.188660 (E_RNA)
where:
Base-Base interactions energy: -10.597
where: short stacking energy: -10.597
Base-Backbone interact. energy: -0.000
local terms energy: -15.591376
where:
bonds (distance) C4'-P energy: -2.548
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -1.035
flat angles P-C4'-P energy: -1.919
tors. eta vs tors. theta energy: -4.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -23.717254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.717254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.717254 (E_RNA)
where:
Base-Base interactions energy: -11.031
where: short stacking energy: -6.650
Base-Backbone interact. energy: -0.001
local terms energy: -12.685530
where:
bonds (distance) C4'-P energy: -0.937
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.321
flat angles P-C4'-P energy: -2.243
tors. eta vs tors. theta energy: -1.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -25.968077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.968077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.968077 (E_RNA)
where:
Base-Base interactions energy: -8.832
where: short stacking energy: -8.832
Base-Backbone interact. energy: -0.001
local terms energy: -17.135424
where:
bonds (distance) C4'-P energy: -1.757
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -4.577
flat angles P-C4'-P energy: -2.971
tors. eta vs tors. theta energy: -2.472
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: 7
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -32.911606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.911606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.911606 (E_RNA)
where:
Base-Base interactions energy: -13.480
where: short stacking energy: -13.480
Base-Backbone interact. energy: -0.000
local terms energy: -19.431492
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.452
flat angles P-C4'-P energy: -2.434
tors. eta vs tors. theta energy: -3.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -34.871410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.871410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.871410 (E_RNA)
where:
Base-Base interactions energy: -15.964
where: short stacking energy: -15.964
Base-Backbone interact. energy: -0.000
local terms energy: -18.907374
where:
bonds (distance) C4'-P energy: -2.279
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.756
flat angles P-C4'-P energy: -2.506
tors. eta vs tors. theta energy: -5.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -29.369202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.369202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.369202 (E_RNA)
where:
Base-Base interactions energy: -11.649
where: short stacking energy: -11.649
Base-Backbone interact. energy: -0.000
local terms energy: -17.720374
where:
bonds (distance) C4'-P energy: -1.944
bonds (distance) P-C4' energy: -4.174
flat angles C4'-P-C4' energy: -4.502
flat angles P-C4'-P energy: -3.689
tors. eta vs tors. theta energy: -3.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -33.979129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.979129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.979129 (E_RNA)
where:
Base-Base interactions energy: -13.344
where: short stacking energy: -13.344
Base-Backbone interact. energy: -0.000
local terms energy: -20.635340
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -2.870
flat angles C4'-P-C4' energy: -4.750
flat angles P-C4'-P energy: -3.673
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: 5, replica: 1
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -33.015430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.015430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.015430 (E_RNA)
where:
Base-Base interactions energy: -13.275
where: short stacking energy: -13.275
Base-Backbone interact. energy: -0.000
local terms energy: -19.740689
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -3.941
flat angles C4'-P-C4' energy: -3.889
flat angles P-C4'-P energy: -3.000
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: 6, replica: 2
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -26.739419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.739419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.739419 (E_RNA)
where:
Base-Base interactions energy: -7.985
where: short stacking energy: -7.985
Base-Backbone interact. energy: -0.000
local terms energy: -18.754771
where:
bonds (distance) C4'-P energy: -3.923
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.413
flat angles P-C4'-P energy: -2.240
tors. eta vs tors. theta energy: -2.824
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: 6
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -28.705857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.705857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.705857 (E_RNA)
where:
Base-Base interactions energy: -9.485
where: short stacking energy: -9.485
Base-Backbone interact. energy: -0.000
local terms energy: -19.221173
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.152
flat angles C4'-P-C4' energy: -4.750
flat angles P-C4'-P energy: -3.038
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: 8, replica: 9
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -24.399895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.399895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.399895 (E_RNA)
where:
Base-Base interactions energy: -8.346
where: short stacking energy: -8.346
Base-Backbone interact. energy: -0.051
local terms energy: -16.003518
where:
bonds (distance) C4'-P energy: -4.311
bonds (distance) P-C4' energy: -4.867
flat angles C4'-P-C4' energy: -3.781
flat angles P-C4'-P energy: -2.638
tors. eta vs tors. theta energy: -0.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -24.178308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.178308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.178308 (E_RNA)
where:
Base-Base interactions energy: -9.139
where: short stacking energy: -9.139
Base-Backbone interact. energy: -0.000
local terms energy: -15.038712
where:
bonds (distance) C4'-P energy: -3.363
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -2.983
flat angles P-C4'-P energy: -3.528
tors. eta vs tors. theta energy: -0.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -24.505498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.505498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.505498 (E_RNA)
where:
Base-Base interactions energy: -7.570
where: short stacking energy: -7.570
Base-Backbone interact. energy: -0.001
local terms energy: -16.935098
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.782
flat angles P-C4'-P energy: 0.669
tors. eta vs tors. theta energy: -4.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -35.115851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.115851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.115851 (E_RNA)
where:
Base-Base interactions energy: -13.338
where: short stacking energy: -13.338
Base-Backbone interact. energy: -0.000
local terms energy: -21.777386
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.832
flat angles C4'-P-C4' energy: -4.662
flat angles P-C4'-P energy: -2.423
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: 2, replica: 10
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -34.983130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.983130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.983130 (E_RNA)
where:
Base-Base interactions energy: -16.747
where: short stacking energy: -16.747
Base-Backbone interact. energy: -0.000
local terms energy: -18.236094
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -3.941
flat angles C4'-P-C4' energy: -4.296
flat angles P-C4'-P energy: -2.654
tors. eta vs tors. theta energy: -3.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -31.714221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.714221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.714221 (E_RNA)
where:
Base-Base interactions energy: -12.491
where: short stacking energy: -12.491
Base-Backbone interact. energy: -0.000
local terms energy: -19.223490
where:
bonds (distance) C4'-P energy: -2.875
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.752
flat angles P-C4'-P energy: -3.177
tors. eta vs tors. theta energy: -4.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -31.634529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.634529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.634529 (E_RNA)
where:
Base-Base interactions energy: -11.827
where: short stacking energy: -11.827
Base-Backbone interact. energy: -0.000
local terms energy: -19.807559
where:
bonds (distance) C4'-P energy: -2.920
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.591
flat angles P-C4'-P energy: -3.357
tors. eta vs tors. theta energy: -3.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -30.272672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.272672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.272672 (E_RNA)
where:
Base-Base interactions energy: -12.739
where: short stacking energy: -12.739
Base-Backbone interact. energy: -0.000
local terms energy: -17.534059
where:
bonds (distance) C4'-P energy: -3.247
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.918
flat angles P-C4'-P energy: -1.904
tors. eta vs tors. theta energy: -3.350
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: 6, replica: 6
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -26.651649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.651649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.651649 (E_RNA)
where:
Base-Base interactions energy: -10.172
where: short stacking energy: -10.272
Base-Backbone interact. energy: -0.000
local terms energy: -16.479908
where:
bonds (distance) C4'-P energy: -3.558
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -2.830
flat angles P-C4'-P energy: -3.273
tors. eta vs tors. theta energy: -1.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -30.431768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.431768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.431768 (E_RNA)
where:
Base-Base interactions energy: -15.054
where: short stacking energy: -15.054
Base-Backbone interact. energy: -0.000
local terms energy: -15.378083
where:
bonds (distance) C4'-P energy: -2.892
bonds (distance) P-C4' energy: -3.367
flat angles C4'-P-C4' energy: -3.991
flat angles P-C4'-P energy: -0.866
tors. eta vs tors. theta energy: -4.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -30.294870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.294870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.294870 (E_RNA)
where:
Base-Base interactions energy: -12.277
where: short stacking energy: -12.277
Base-Backbone interact. energy: -0.000
local terms energy: -18.018230
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.168
flat angles P-C4'-P energy: -2.213
tors. eta vs tors. theta energy: -2.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -28.045274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.045274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.045274 (E_RNA)
where:
Base-Base interactions energy: -10.490
where: short stacking energy: -10.490
Base-Backbone interact. energy: -0.000
local terms energy: -17.555198
where:
bonds (distance) C4'-P energy: -3.256
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.500
flat angles P-C4'-P energy: -3.229
tors. eta vs tors. theta energy: -1.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -21.994786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.994786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.994786 (E_RNA)
where:
Base-Base interactions energy: -3.207
where: short stacking energy: -3.207
Base-Backbone interact. energy: -0.043
local terms energy: -18.745163
where:
bonds (distance) C4'-P energy: -3.406
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.233
flat angles P-C4'-P energy: -3.319
tors. eta vs tors. theta energy: -2.437
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: 7
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -32.459861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.459861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.459861 (E_RNA)
where:
Base-Base interactions energy: -18.124
where: short stacking energy: -9.063
Base-Backbone interact. energy: -0.019
local terms energy: -14.316553
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -4.410
flat angles C4'-P-C4' energy: -4.595
flat angles P-C4'-P energy: -0.171
tors. eta vs tors. theta energy: -1.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -38.282837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.282837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.282837 (E_RNA)
where:
Base-Base interactions energy: -17.292
where: short stacking energy: -17.292
Base-Backbone interact. energy: -0.000
local terms energy: -20.990434
where:
bonds (distance) C4'-P energy: -2.812
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.168
flat angles P-C4'-P energy: -3.435
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: 3, replica: 1
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -27.025730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.025730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.025730 (E_RNA)
where:
Base-Base interactions energy: -9.028
where: short stacking energy: -9.028
Base-Backbone interact. energy: -0.000
local terms energy: -17.997923
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.199
flat angles P-C4'-P energy: -2.866
tors. eta vs tors. theta energy: -1.300
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: 4, replica: 4
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -31.544087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.544087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.544087 (E_RNA)
where:
Base-Base interactions energy: -14.221
where: short stacking energy: -14.221
Base-Backbone interact. energy: -0.000
local terms energy: -17.322588
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.455
flat angles P-C4'-P energy: -2.369
tors. eta vs tors. theta energy: -1.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -29.758910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.758910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.758910 (E_RNA)
where:
Base-Base interactions energy: -13.599
where: short stacking energy: -13.599
Base-Backbone interact. energy: -0.009
local terms energy: -16.150891
where:
bonds (distance) C4'-P energy: -2.544
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.475
flat angles P-C4'-P energy: -1.065
tors. eta vs tors. theta energy: -2.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -31.329992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.329992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.329992 (E_RNA)
where:
Base-Base interactions energy: -10.957
where: short stacking energy: -10.957
Base-Backbone interact. energy: -0.000
local terms energy: -20.372734
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.149
flat angles C4'-P-C4' energy: -4.489
flat angles P-C4'-P energy: -2.668
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: 7, replica: 3
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -27.890186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.890186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.890186 (E_RNA)
where:
Base-Base interactions energy: -16.987
where: short stacking energy: -8.770
Base-Backbone interact. energy: -0.001
local terms energy: -10.901802
where:
bonds (distance) C4'-P energy: -1.550
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: 0.641
flat angles P-C4'-P energy: -3.170
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: 8, replica: 2
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -22.879505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.879505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.879505 (E_RNA)
where:
Base-Base interactions energy: -8.669
where: short stacking energy: -8.669
Base-Backbone interact. energy: -0.000
local terms energy: -14.210035
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -3.366
flat angles P-C4'-P energy: -1.973
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: 9, replica: 8
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -28.265430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.265430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.265430 (E_RNA)
where:
Base-Base interactions energy: -12.805
where: short stacking energy: -12.805
Base-Backbone interact. energy: -0.000
local terms energy: -15.460392
where:
bonds (distance) C4'-P energy: -2.859
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -3.887
flat angles P-C4'-P energy: -1.838
tors. eta vs tors. theta energy: -1.780
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: 9
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -27.210633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.210633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.210633 (E_RNA)
where:
Base-Base interactions energy: -10.082
where: short stacking energy: -10.082
Base-Backbone interact. energy: -0.000
local terms energy: -17.128671
where:
bonds (distance) C4'-P energy: -2.370
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -3.478
flat angles P-C4'-P energy: -1.947
tors. eta vs tors. theta energy: -4.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -32.353666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.353666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.353666 (E_RNA)
where:
Base-Base interactions energy: -12.511
where: short stacking energy: -12.511
Base-Backbone interact. energy: -0.000
local terms energy: -19.842798
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -3.379
flat angles P-C4'-P energy: -3.750
tors. eta vs tors. theta energy: -3.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -36.558739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.558739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.558739 (E_RNA)
where:
Base-Base interactions energy: -17.501
where: short stacking energy: -17.501
Base-Backbone interact. energy: -0.000
local terms energy: -19.057284
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -4.241
flat angles P-C4'-P energy: -1.871
tors. eta vs tors. theta energy: -4.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -33.897255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.897255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.897255 (E_RNA)
where:
Base-Base interactions energy: -16.499
where: short stacking energy: -16.499
Base-Backbone interact. energy: -0.000
local terms energy: -17.397771
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -3.407
flat angles C4'-P-C4' energy: -3.259
flat angles P-C4'-P energy: -3.277
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: 4, replica: 6
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -37.911184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.911184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.911184 (E_RNA)
where:
Base-Base interactions energy: -17.315
where: short stacking energy: -17.315
Base-Backbone interact. energy: -0.000
local terms energy: -20.595961
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.853
flat angles P-C4'-P energy: -2.761
tors. eta vs tors. theta energy: -4.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -35.263673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.263673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.263673 (E_RNA)
where:
Base-Base interactions energy: -16.606
where: short stacking energy: -16.606
Base-Backbone interact. energy: -0.000
local terms energy: -18.657715
where:
bonds (distance) C4'-P energy: -1.782
bonds (distance) P-C4' energy: -4.839
flat angles C4'-P-C4' energy: -4.614
flat angles P-C4'-P energy: -2.236
tors. eta vs tors. theta energy: -5.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -31.522715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.522715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.522715 (E_RNA)
where:
Base-Base interactions energy: -13.817
where: short stacking energy: -13.817
Base-Backbone interact. energy: -0.009
local terms energy: -17.696645
where:
bonds (distance) C4'-P energy: -4.038
bonds (distance) P-C4' energy: -4.202
flat angles C4'-P-C4' energy: -4.578
flat angles P-C4'-P energy: -2.709
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: 7, replica: 5
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -26.553985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.553985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.553985 (E_RNA)
where:
Base-Base interactions energy: -8.425
where: short stacking energy: -8.425
Base-Backbone interact. energy: -0.000
local terms energy: -18.128851
where:
bonds (distance) C4'-P energy: -3.575
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -3.759
flat angles P-C4'-P energy: -2.173
tors. eta vs tors. theta energy: -3.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -30.433799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.433799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.433799 (E_RNA)
where:
Base-Base interactions energy: -13.526
where: short stacking energy: -13.526
Base-Backbone interact. energy: -0.012
local terms energy: -16.896266
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.180
flat angles C4'-P-C4' energy: -3.975
flat angles P-C4'-P energy: -3.007
tors. eta vs tors. theta energy: -1.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -24.653195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.653195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.653195 (E_RNA)
where:
Base-Base interactions energy: -10.371
where: short stacking energy: -10.371
Base-Backbone interact. energy: -0.000
local terms energy: -14.282674
where:
bonds (distance) C4'-P energy: -3.781
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -0.737
flat angles P-C4'-P energy: -2.171
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: 9
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -26.155116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.155116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.155116 (E_RNA)
where:
Base-Base interactions energy: -7.511
where: short stacking energy: -7.511
Base-Backbone interact. energy: -0.045
local terms energy: -18.599263
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -4.394
flat angles P-C4'-P energy: -1.403
tors. eta vs tors. theta energy: -2.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -33.207673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.207673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.207673 (E_RNA)
where:
Base-Base interactions energy: -13.495
where: short stacking energy: -13.495
Base-Backbone interact. energy: -0.000
local terms energy: -19.712354
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -4.274
flat angles P-C4'-P energy: -3.254
tors. eta vs tors. theta energy: -3.351
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: 7
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -32.245138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.245138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.245138 (E_RNA)
where:
Base-Base interactions energy: -12.152
where: short stacking energy: -12.152
Base-Backbone interact. energy: -0.000
local terms energy: -20.093363
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.712
flat angles P-C4'-P energy: -3.070
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: 3, replica: 6
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -29.668735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.668735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.668735 (E_RNA)
where:
Base-Base interactions energy: -13.715
where: short stacking energy: -13.715
Base-Backbone interact. energy: -0.000
local terms energy: -15.953254
where:
bonds (distance) C4'-P energy: -2.626
bonds (distance) P-C4' energy: -4.839
flat angles C4'-P-C4' energy: -3.885
flat angles P-C4'-P energy: -3.388
tors. eta vs tors. theta energy: -1.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -27.615890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.615890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.615890 (E_RNA)
where:
Base-Base interactions energy: -8.772
where: short stacking energy: -8.772
Base-Backbone interact. energy: -0.001
local terms energy: -18.842970
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -4.149
flat angles C4'-P-C4' energy: -3.770
flat angles P-C4'-P energy: -3.740
tors. eta vs tors. theta energy: -2.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -34.713753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.713753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.713753 (E_RNA)
where:
Base-Base interactions energy: -16.161
where: short stacking energy: -16.161
Base-Backbone interact. energy: -0.000
local terms energy: -18.553205
where:
bonds (distance) C4'-P energy: -4.009
bonds (distance) P-C4' energy: -3.981
flat angles C4'-P-C4' energy: -3.644
flat angles P-C4'-P energy: -2.108
tors. eta vs tors. theta energy: -4.811
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: 3
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -34.327973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.327973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.327973 (E_RNA)
where:
Base-Base interactions energy: -14.910
where: short stacking energy: -14.910
Base-Backbone interact. energy: -0.000
local terms energy: -19.417538
where:
bonds (distance) C4'-P energy: -3.781
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.542
flat angles P-C4'-P energy: -2.256
tors. eta vs tors. theta energy: -3.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -30.076050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.076050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.076050 (E_RNA)
where:
Base-Base interactions energy: -13.187
where: short stacking energy: -13.187
Base-Backbone interact. energy: -0.000
local terms energy: -16.888742
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -3.892
flat angles C4'-P-C4' energy: -4.136
flat angles P-C4'-P energy: -3.920
tors. eta vs tors. theta energy: -0.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -29.420083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.420083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.420083 (E_RNA)
where:
Base-Base interactions energy: -11.080
where: short stacking energy: -11.080
Base-Backbone interact. energy: -0.000
local terms energy: -18.339917
where:
bonds (distance) C4'-P energy: -3.016
bonds (distance) P-C4' energy: -4.606
flat angles C4'-P-C4' energy: -3.210
flat angles P-C4'-P energy: -3.065
tors. eta vs tors. theta energy: -4.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -23.895432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.895432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.895432 (E_RNA)
where:
Base-Base interactions energy: -9.099
where: short stacking energy: -9.099
Base-Backbone interact. energy: -0.000
local terms energy: -14.796678
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -3.713
flat angles P-C4'-P energy: -1.325
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: 10, replica: 2
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -30.486139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.486139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.486139 (E_RNA)
where:
Base-Base interactions energy: -15.982
where: short stacking energy: -15.982
Base-Backbone interact. energy: -0.000
local terms energy: -14.504134
where:
bonds (distance) C4'-P energy: -3.161
bonds (distance) P-C4' energy: -3.815
flat angles C4'-P-C4' energy: -1.460
flat angles P-C4'-P energy: -2.206
tors. eta vs tors. theta energy: -3.864
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: 1, replica: 10
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -32.868217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.868217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.868217 (E_RNA)
where:
Base-Base interactions energy: -13.721
where: short stacking energy: -13.721
Base-Backbone interact. energy: -0.000
local terms energy: -19.147085
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.061
flat angles P-C4'-P energy: -3.785
tors. eta vs tors. theta energy: -2.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -37.155674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.155674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.155674 (E_RNA)
where:
Base-Base interactions energy: -17.901
where: short stacking energy: -17.901
Base-Backbone interact. energy: -0.000
local terms energy: -19.254946
where:
bonds (distance) C4'-P energy: -3.020
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.682
flat angles P-C4'-P energy: -2.660
tors. eta vs tors. theta energy: -3.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -28.431278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.431278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.431278 (E_RNA)
where:
Base-Base interactions energy: -12.780
where: short stacking energy: -12.780
Base-Backbone interact. energy: -0.000
local terms energy: -15.651397
where:
bonds (distance) C4'-P energy: -2.920
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.797
flat angles P-C4'-P energy: -1.446
tors. eta vs tors. theta energy: -2.137
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: 4
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -31.747367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.747367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.747367 (E_RNA)
where:
Base-Base interactions energy: -11.005
where: short stacking energy: -11.005
Base-Backbone interact. energy: -0.000
local terms energy: -20.742085
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.629
flat angles P-C4'-P energy: -3.172
tors. eta vs tors. theta energy: -3.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -34.100636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.100636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.100636 (E_RNA)
where:
Base-Base interactions energy: -15.938
where: short stacking energy: -15.938
Base-Backbone interact. energy: -0.000
local terms energy: -18.162976
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -2.646
flat angles C4'-P-C4' energy: -3.658
flat angles P-C4'-P energy: -3.575
tors. eta vs tors. theta energy: -3.659
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: 6, replica: 5
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -31.466038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.466038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.466038 (E_RNA)
where:
Base-Base interactions energy: -12.181
where: short stacking energy: -12.181
Base-Backbone interact. energy: -0.000
local terms energy: -19.285029
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -4.202
flat angles C4'-P-C4' energy: -4.434
flat angles P-C4'-P energy: -3.174
tors. eta vs tors. theta energy: -3.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -34.416504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.416504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.416504 (E_RNA)
where:
Base-Base interactions energy: -15.725
where: short stacking energy: -15.725
Base-Backbone interact. energy: -0.000
local terms energy: -18.691720
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -3.815
flat angles C4'-P-C4' energy: -3.566
flat angles P-C4'-P energy: -3.136
tors. eta vs tors. theta energy: -3.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -27.050116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.050116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.050116 (E_RNA)
where:
Base-Base interactions energy: -9.860
where: short stacking energy: -9.860
Base-Backbone interact. energy: -0.000
local terms energy: -17.190202
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -2.803
flat angles C4'-P-C4' energy: -4.025
flat angles P-C4'-P energy: -3.434
tors. eta vs tors. theta energy: -2.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -26.980447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.980447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.980447 (E_RNA)
where:
Base-Base interactions energy: -10.726
where: short stacking energy: -10.726
Base-Backbone interact. energy: -0.010
local terms energy: -16.244709
where:
bonds (distance) C4'-P energy: -3.558
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -3.341
flat angles P-C4'-P energy: -2.961
tors. eta vs tors. theta energy: -1.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -22.560876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.560876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.560876 (E_RNA)
where:
Base-Base interactions energy: -8.729
where: short stacking energy: -8.729
Base-Backbone interact. energy: -0.000
local terms energy: -13.832324
where:
bonds (distance) C4'-P energy: -2.481
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -3.677
flat angles P-C4'-P energy: -1.619
tors. eta vs tors. theta energy: -1.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -38.285713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.285713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.285713 (E_RNA)
where:
Base-Base interactions energy: -15.815
where: short stacking energy: -15.815
Base-Backbone interact. energy: -0.000
local terms energy: -22.470917
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.343
flat angles C4'-P-C4' energy: -4.383
flat angles P-C4'-P energy: -3.958
tors. eta vs tors. theta energy: -5.385
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: 2, replica: 10
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -37.594240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.594240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.594240 (E_RNA)
where:
Base-Base interactions energy: -16.159
where: short stacking energy: -16.159
Base-Backbone interact. energy: -0.000
local terms energy: -21.434862
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.560
flat angles P-C4'-P energy: -2.349
tors. eta vs tors. theta energy: -5.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -30.998088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.998088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.998088 (E_RNA)
where:
Base-Base interactions energy: -13.529
where: short stacking energy: -13.529
Base-Backbone interact. energy: -0.006
local terms energy: -17.463523
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -4.674
flat angles C4'-P-C4' energy: -3.243
flat angles P-C4'-P energy: -3.112
tors. eta vs tors. theta energy: -2.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -30.330110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.330110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.330110 (E_RNA)
where:
Base-Base interactions energy: -13.330
where: short stacking energy: -13.330
Base-Backbone interact. energy: -0.000
local terms energy: -16.999905
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.075
flat angles P-C4'-P energy: -2.396
tors. eta vs tors. theta energy: -2.327
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: 5
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -32.428558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.428558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.428558 (E_RNA)
where:
Base-Base interactions energy: -13.949
where: short stacking energy: -13.949
Base-Backbone interact. energy: -0.000
local terms energy: -18.479268
where:
bonds (distance) C4'-P energy: -3.637
bonds (distance) P-C4' energy: -4.367
flat angles C4'-P-C4' energy: -4.364
flat angles P-C4'-P energy: -3.370
tors. eta vs tors. theta energy: -2.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -28.137089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.137089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.137089 (E_RNA)
where:
Base-Base interactions energy: -12.779
where: short stacking energy: -12.779
Base-Backbone interact. energy: -0.000
local terms energy: -15.358207
where:
bonds (distance) C4'-P energy: -0.320
bonds (distance) P-C4' energy: -4.174
flat angles C4'-P-C4' energy: -3.794
flat angles P-C4'-P energy: -3.144
tors. eta vs tors. theta energy: -3.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -27.618512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.618512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.618512 (E_RNA)
where:
Base-Base interactions energy: -9.566
where: short stacking energy: -9.566
Base-Backbone interact. energy: -0.000
local terms energy: -18.052529
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -4.832
flat angles C4'-P-C4' energy: -4.555
flat angles P-C4'-P energy: -1.274
tors. eta vs tors. theta energy: -3.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -24.413165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.413165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.413165 (E_RNA)
where:
Base-Base interactions energy: -7.992
where: short stacking energy: -7.992
Base-Backbone interact. energy: -0.000
local terms energy: -16.421614
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -4.177
flat angles C4'-P-C4' energy: -3.820
flat angles P-C4'-P energy: -2.494
tors. eta vs tors. theta energy: -1.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -22.513909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.513909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.513909 (E_RNA)
where:
Base-Base interactions energy: -5.373
where: short stacking energy: -5.373
Base-Backbone interact. energy: -0.000
local terms energy: -17.140803
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -2.172
flat angles P-C4'-P energy: -3.414
tors. eta vs tors. theta energy: -2.023
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: 10, replica: 8
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -26.802723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.802723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.802723 (E_RNA)
where:
Base-Base interactions energy: -10.179
where: short stacking energy: -10.179
Base-Backbone interact. energy: -0.000
local terms energy: -16.623544
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.053
flat angles P-C4'-P energy: -1.804
tors. eta vs tors. theta energy: -2.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -33.288189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.288189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.288189 (E_RNA)
where:
Base-Base interactions energy: -14.168
where: short stacking energy: -14.168
Base-Backbone interact. energy: -0.000
local terms energy: -19.119898
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -3.688
flat angles P-C4'-P energy: -3.123
tors. eta vs tors. theta energy: -3.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -32.196326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.196326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.196326 (E_RNA)
where:
Base-Base interactions energy: -13.313
where: short stacking energy: -13.313
Base-Backbone interact. energy: -0.000
local terms energy: -18.883642
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -4.210
flat angles P-C4'-P energy: -1.915
tors. eta vs tors. theta energy: -3.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -32.692630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.692630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.692630 (E_RNA)
where:
Base-Base interactions energy: -11.549
where: short stacking energy: -11.549
Base-Backbone interact. energy: -0.000
local terms energy: -21.143834
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.398
flat angles P-C4'-P energy: -2.552
tors. eta vs tors. theta energy: -5.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -28.058542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.058542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.058542 (E_RNA)
where:
Base-Base interactions energy: -9.199
where: short stacking energy: -9.199
Base-Backbone interact. energy: -0.000
local terms energy: -18.859543
where:
bonds (distance) C4'-P energy: -2.867
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -3.701
flat angles P-C4'-P energy: -3.136
tors. eta vs tors. theta energy: -4.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -27.922405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.922405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.922405 (E_RNA)
where:
Base-Base interactions energy: -9.756
where: short stacking energy: -9.756
Base-Backbone interact. energy: -0.087
local terms energy: -18.079836
where:
bonds (distance) C4'-P energy: -4.535
bonds (distance) P-C4' energy: -4.085
flat angles C4'-P-C4' energy: -4.750
flat angles P-C4'-P energy: -3.586
tors. eta vs tors. theta energy: -1.123
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: 9
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -27.079432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.079432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.079432 (E_RNA)
where:
Base-Base interactions energy: -9.019
where: short stacking energy: -9.019
Base-Backbone interact. energy: -0.000
local terms energy: -18.060626
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -4.099
flat angles P-C4'-P energy: -3.104
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: 1
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -26.596888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.596888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.596888 (E_RNA)
where:
Base-Base interactions energy: -8.405
where: short stacking energy: -8.405
Base-Backbone interact. energy: -0.000
local terms energy: -18.191582
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -2.585
flat angles P-C4'-P energy: -3.509
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: 8, replica: 2
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -26.027442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.027442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.027442 (E_RNA)
where:
Base-Base interactions energy: -8.957
where: short stacking energy: -8.957
Base-Backbone interact. energy: -0.000
local terms energy: -17.070235
where:
bonds (distance) C4'-P energy: -4.154
bonds (distance) P-C4' energy: -3.815
flat angles C4'-P-C4' energy: -4.573
flat angles P-C4'-P energy: -1.611
tors. eta vs tors. theta energy: -2.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -25.555466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.555466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.555466 (E_RNA)
where:
Base-Base interactions energy: -10.793
where: short stacking energy: -10.793
Base-Backbone interact. energy: -0.000
local terms energy: -14.761980
where:
bonds (distance) C4'-P energy: -1.439
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -2.707
flat angles P-C4'-P energy: -2.924
tors. eta vs tors. theta energy: -3.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -23.994546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.994546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.994546 (E_RNA)
where:
Base-Base interactions energy: -9.232
where: short stacking energy: -9.232
Base-Backbone interact. energy: -0.000
local terms energy: -14.762940
where:
bonds (distance) C4'-P energy: -2.171
bonds (distance) P-C4' energy: -4.392
flat angles C4'-P-C4' energy: -3.782
flat angles P-C4'-P energy: -2.952
tors. eta vs tors. theta energy: -1.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -38.191064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.191064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.191064 (E_RNA)
where:
Base-Base interactions energy: -17.588
where: short stacking energy: -17.588
Base-Backbone interact. energy: -0.000
local terms energy: -20.602983
where:
bonds (distance) C4'-P energy: -3.708
bonds (distance) P-C4' energy: -4.051
flat angles C4'-P-C4' energy: -4.875
flat angles P-C4'-P energy: -2.801
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: 2, replica: 7
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -30.938100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.938100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.938100 (E_RNA)
where:
Base-Base interactions energy: -11.426
where: short stacking energy: -11.426
Base-Backbone interact. energy: -0.000
local terms energy: -19.511756
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -3.553
flat angles C4'-P-C4' energy: -4.452
flat angles P-C4'-P energy: -2.510
tors. eta vs tors. theta energy: -4.477
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: 5
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -36.162283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.162283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.162283 (E_RNA)
where:
Base-Base interactions energy: -16.419
where: short stacking energy: -7.733
Base-Backbone interact. energy: -0.002
local terms energy: -19.740598
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.294
flat angles P-C4'-P energy: -3.861
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: 4, replica: 10
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -32.367508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.367508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.367508 (E_RNA)
where:
Base-Base interactions energy: -14.055
where: short stacking energy: -14.055
Base-Backbone interact. energy: -0.000
local terms energy: -18.312797
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -4.343
flat angles C4'-P-C4' energy: -3.955
flat angles P-C4'-P energy: -3.098
tors. eta vs tors. theta energy: -2.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -29.518640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.518640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.518640 (E_RNA)
where:
Base-Base interactions energy: -12.630
where: short stacking energy: -12.630
Base-Backbone interact. energy: -0.000
local terms energy: -16.888495
where:
bonds (distance) C4'-P energy: -3.152
bonds (distance) P-C4' energy: -4.569
flat angles C4'-P-C4' energy: -4.098
flat angles P-C4'-P energy: -3.001
tors. eta vs tors. theta energy: -2.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -27.878358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.878358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.878358 (E_RNA)
where:
Base-Base interactions energy: -11.642
where: short stacking energy: -11.642
Base-Backbone interact. energy: -0.003
local terms energy: -16.233468
where:
bonds (distance) C4'-P energy: -3.773
bonds (distance) P-C4' energy: -4.441
flat angles C4'-P-C4' energy: -3.580
flat angles P-C4'-P energy: -1.999
tors. eta vs tors. theta energy: -2.440
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: 2
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -30.060256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.060256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.060256 (E_RNA)
where:
Base-Base interactions energy: -13.099
where: short stacking energy: -13.099
Base-Backbone interact. energy: -0.000
local terms energy: -16.961450
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -4.174
flat angles C4'-P-C4' energy: -4.520
flat angles P-C4'-P energy: -1.653
tors. eta vs tors. theta energy: -2.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -25.846163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.846163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.846163 (E_RNA)
where:
Base-Base interactions energy: -7.879
where: short stacking energy: -7.879
Base-Backbone interact. energy: -0.000
local terms energy: -17.966870
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -4.817
flat angles P-C4'-P energy: -1.988
tors. eta vs tors. theta energy: -1.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -28.102230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.102230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.102230 (E_RNA)
where:
Base-Base interactions energy: -12.284
where: short stacking energy: -12.284
Base-Backbone interact. energy: -0.000
local terms energy: -15.818086
where:
bonds (distance) C4'-P energy: -3.745
bonds (distance) P-C4' energy: -3.329
flat angles C4'-P-C4' energy: -4.398
flat angles P-C4'-P energy: -1.742
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: 10, replica: 3
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -26.151393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.151393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.151393 (E_RNA)
where:
Base-Base interactions energy: -9.265
where: short stacking energy: -9.265
Base-Backbone interact. energy: -0.000
local terms energy: -16.886774
where:
bonds (distance) C4'-P energy: -3.008
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.338
flat angles P-C4'-P energy: -2.814
tors. eta vs tors. theta energy: -2.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -37.207330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.207330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.207330 (E_RNA)
where:
Base-Base interactions energy: -16.232
where: short stacking energy: -16.232
Base-Backbone interact. energy: -0.000
local terms energy: -20.974965
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -4.440
flat angles P-C4'-P energy: -2.093
tors. eta vs tors. theta energy: -5.175
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: 5
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -33.391087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.391087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.391087 (E_RNA)
where:
Base-Base interactions energy: -14.035
where: short stacking energy: -14.035
Base-Backbone interact. energy: -0.000
local terms energy: -19.355465
where:
bonds (distance) C4'-P energy: -3.691
bonds (distance) P-C4' energy: -4.649
flat angles C4'-P-C4' energy: -4.750
flat angles P-C4'-P energy: -3.162
tors. eta vs tors. theta energy: -3.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -29.883617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.883617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.883617 (E_RNA)
where:
Base-Base interactions energy: -9.943
where: short stacking energy: -9.482
Base-Backbone interact. energy: -0.060
local terms energy: -19.881027
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -3.550
flat angles P-C4'-P energy: -3.701
tors. eta vs tors. theta energy: -2.879
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: 4
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -26.178224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.178224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.178224 (E_RNA)
where:
Base-Base interactions energy: -8.257
where: short stacking energy: -8.257
Base-Backbone interact. energy: -0.000
local terms energy: -17.920887
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.416
flat angles P-C4'-P energy: -3.207
tors. eta vs tors. theta energy: -1.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -32.341190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.341190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.341190 (E_RNA)
where:
Base-Base interactions energy: -13.666
where: short stacking energy: -13.666
Base-Backbone interact. energy: -0.002
local terms energy: -18.673505
where:
bonds (distance) C4'-P energy: -3.753
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.163
flat angles P-C4'-P energy: -3.850
tors. eta vs tors. theta energy: -1.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -31.090318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.090318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.090318 (E_RNA)
where:
Base-Base interactions energy: -11.154
where: short stacking energy: -11.154
Base-Backbone interact. energy: -0.000
local terms energy: -19.935993
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -3.494
flat angles P-C4'-P energy: -3.319
tors. eta vs tors. theta energy: -3.963
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: 7, replica: 9
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -29.626309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.626309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.626309 (E_RNA)
where:
Base-Base interactions energy: -12.188
where: short stacking energy: -12.188
Base-Backbone interact. energy: -0.000
local terms energy: -17.438000
where:
bonds (distance) C4'-P energy: -2.192
bonds (distance) P-C4' energy: -5.365
flat angles C4'-P-C4' energy: -2.551
flat angles P-C4'-P energy: -3.279
tors. eta vs tors. theta energy: -4.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -31.139267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.139267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.139267 (E_RNA)
where:
Base-Base interactions energy: -11.554
where: short stacking energy: -11.554
Base-Backbone interact. energy: -0.000
local terms energy: -19.585741
where:
bonds (distance) C4'-P energy: -3.206
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -3.448
flat angles P-C4'-P energy: -3.094
tors. eta vs tors. theta energy: -4.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -26.898638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.898638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.898638 (E_RNA)
where:
Base-Base interactions energy: -8.541
where: short stacking energy: -8.456
Base-Backbone interact. energy: -0.000
local terms energy: -18.357832
where:
bonds (distance) C4'-P energy: -2.743
bonds (distance) P-C4' energy: -3.818
flat angles C4'-P-C4' energy: -4.292
flat angles P-C4'-P energy: -3.392
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: 10, replica: 3
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -25.765455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.765455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.765455 (E_RNA)
where:
Base-Base interactions energy: -8.374
where: short stacking energy: -8.374
Base-Backbone interact. energy: -0.000
local terms energy: -17.391404
where:
bonds (distance) C4'-P energy: -3.567
bonds (distance) P-C4' energy: -3.555
flat angles C4'-P-C4' energy: -3.938
flat angles P-C4'-P energy: -2.370
tors. eta vs tors. theta energy: -3.961
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: 1, replica: 5
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -38.314431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.314431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.314431 (E_RNA)
where:
Base-Base interactions energy: -21.366
where: short stacking energy: -13.260
Base-Backbone interact. energy: -0.001
local terms energy: -16.947322
where:
bonds (distance) C4'-P energy: -4.233
bonds (distance) P-C4' energy: -4.209
flat angles C4'-P-C4' energy: -3.201
flat angles P-C4'-P energy: -2.317
tors. eta vs tors. theta energy: -2.988
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: 474
Temperature: 0.950000
Total energy: -35.751077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.751077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.751077 (E_RNA)
where:
Base-Base interactions energy: -16.950
where: short stacking energy: -16.950
Base-Backbone interact. energy: -0.000
local terms energy: -18.801277
where:
bonds (distance) C4'-P energy: -3.691
bonds (distance) P-C4' energy: -4.149
flat angles C4'-P-C4' energy: -4.163
flat angles P-C4'-P energy: -1.666
tors. eta vs tors. theta energy: -5.133
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: -33.822035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.822035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.822035 (E_RNA)
where:
Base-Base interactions energy: -13.478
where: short stacking energy: -13.478
Base-Backbone interact. energy: -0.000
local terms energy: -20.343733
where:
bonds (distance) C4'-P energy: -3.956
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -4.309
flat angles P-C4'-P energy: -2.589
tors. eta vs tors. theta energy: -4.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -31.529922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.529922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.529922 (E_RNA)
where:
Base-Base interactions energy: -12.637
where: short stacking energy: -12.637
Base-Backbone interact. energy: -0.000
local terms energy: -18.892802
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.655
flat angles P-C4'-P energy: -2.627
tors. eta vs tors. theta energy: -2.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -31.601853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.601853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.601853 (E_RNA)
where:
Base-Base interactions energy: -16.261
where: short stacking energy: -16.261
Base-Backbone interact. energy: -0.000
local terms energy: -15.341125
where:
bonds (distance) C4'-P energy: -2.494
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -1.032
flat angles P-C4'-P energy: -2.922
tors. eta vs tors. theta energy: -3.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -27.632466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.632466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.632466 (E_RNA)
where:
Base-Base interactions energy: -13.120
where: short stacking energy: -13.120
Base-Backbone interact. energy: -0.000
local terms energy: -14.512098
where:
bonds (distance) C4'-P energy: -2.958
bonds (distance) P-C4' energy: -2.898
flat angles C4'-P-C4' energy: -4.140
flat angles P-C4'-P energy: -2.867
tors. eta vs tors. theta energy: -1.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -27.822383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.822383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.822383 (E_RNA)
where:
Base-Base interactions energy: -9.828
where: short stacking energy: -5.328
Base-Backbone interact. energy: -0.004
local terms energy: -17.990326
where:
bonds (distance) C4'-P energy: -3.567
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -4.485
flat angles P-C4'-P energy: -3.765
tors. eta vs tors. theta energy: -1.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -27.169594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.169594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.169594 (E_RNA)
where:
Base-Base interactions energy: -12.518
where: short stacking energy: -12.518
Base-Backbone interact. energy: -0.000
local terms energy: -14.651231
where:
bonds (distance) C4'-P energy: -3.264
bonds (distance) P-C4' energy: -4.047
flat angles C4'-P-C4' energy: -4.397
flat angles P-C4'-P energy: -1.122
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: 9, replica: 3
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -24.153383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.153383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.153383 (E_RNA)
where:
Base-Base interactions energy: -10.266
where: short stacking energy: -10.266
Base-Backbone interact. energy: -0.000
local terms energy: -13.887178
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -2.383
flat angles C4'-P-C4' energy: -3.373
flat angles P-C4'-P energy: -2.722
tors. eta vs tors. theta energy: -1.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -24.915060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.915060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.915060 (E_RNA)
where:
Base-Base interactions energy: -7.583
where: short stacking energy: -7.583
Base-Backbone interact. energy: -0.000
local terms energy: -17.332099
where:
bonds (distance) C4'-P energy: -3.923
bonds (distance) P-C4' energy: -3.815
flat angles C4'-P-C4' energy: -3.655
flat angles P-C4'-P energy: -3.721
tors. eta vs tors. theta energy: -2.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -32.356586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.356586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.356586 (E_RNA)
where:
Base-Base interactions energy: -14.964
where: short stacking energy: -14.964
Base-Backbone interact. energy: -0.000
local terms energy: -17.392269
where:
bonds (distance) C4'-P energy: -3.277
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.258
flat angles P-C4'-P energy: -2.922
tors. eta vs tors. theta energy: -2.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -37.806918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.806918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.806918 (E_RNA)
where:
Base-Base interactions energy: -16.432
where: short stacking energy: -16.432
Base-Backbone interact. energy: -0.000
local terms energy: -21.374855
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.115
flat angles P-C4'-P energy: -2.588
tors. eta vs tors. theta energy: -5.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -30.821983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.821983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.821983 (E_RNA)
where:
Base-Base interactions energy: -14.270
where: short stacking energy: -14.270
Base-Backbone interact. energy: -0.000
local terms energy: -16.552399
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -3.367
flat angles C4'-P-C4' energy: -4.544
flat angles P-C4'-P energy: -1.728
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: 4, replica: 2
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -27.957519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.957519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.957519 (E_RNA)
where:
Base-Base interactions energy: -11.954
where: short stacking energy: -11.954
Base-Backbone interact. energy: -0.000
local terms energy: -16.003067
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -3.321
flat angles P-C4'-P energy: -1.612
tors. eta vs tors. theta energy: -2.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -29.225464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.225464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.225464 (E_RNA)
where:
Base-Base interactions energy: -12.835
where: short stacking energy: -12.835
Base-Backbone interact. energy: -0.000
local terms energy: -16.390956
where:
bonds (distance) C4'-P energy: -2.660
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.830
flat angles P-C4'-P energy: -2.738
tors. eta vs tors. theta energy: -2.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -28.847595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.847595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.847595 (E_RNA)
where:
Base-Base interactions energy: -11.259
where: short stacking energy: -11.259
Base-Backbone interact. energy: -0.000
local terms energy: -17.588211
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.061
flat angles P-C4'-P energy: -3.710
tors. eta vs tors. theta energy: -2.034
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: 7, replica: 10
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -28.701998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.701998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.701998 (E_RNA)
where:
Base-Base interactions energy: -13.204
where: short stacking energy: -10.334
Base-Backbone interact. energy: -0.000
local terms energy: -15.497769
where:
bonds (distance) C4'-P energy: -2.962
bonds (distance) P-C4' energy: -4.311
flat angles C4'-P-C4' energy: -3.959
flat angles P-C4'-P energy: -0.154
tors. eta vs tors. theta energy: -4.113
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: 475
Temperature: 1.250000
Total energy: -25.319666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.319666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.319666 (E_RNA)
where:
Base-Base interactions energy: -8.436
where: short stacking energy: -8.436
Base-Backbone interact. energy: -0.000
local terms energy: -16.883401
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -3.969
flat angles C4'-P-C4' energy: -4.260
flat angles P-C4'-P energy: -2.027
tors. eta vs tors. theta energy: -2.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -25.239107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.239107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.239107 (E_RNA)
where:
Base-Base interactions energy: -7.890
where: short stacking energy: -7.890
Base-Backbone interact. energy: -0.000
local terms energy: -17.348989
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.113
flat angles P-C4'-P energy: -2.856
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: 1
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -25.517775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.517775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.517775 (E_RNA)
where:
Base-Base interactions energy: -7.409
where: short stacking energy: -7.409
Base-Backbone interact. energy: 0.570
local terms energy: -18.678439
where:
bonds (distance) C4'-P energy: -3.761
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -4.275
flat angles P-C4'-P energy: -3.975
tors. eta vs tors. theta energy: -2.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -37.668168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.668168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.668168 (E_RNA)
where:
Base-Base interactions energy: -16.645
where: short stacking energy: -16.645
Base-Backbone interact. energy: -0.000
local terms energy: -21.023503
where:
bonds (distance) C4'-P energy: -2.867
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.261
flat angles P-C4'-P energy: -3.835
tors. eta vs tors. theta energy: -5.175
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: 5
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -36.743400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.743400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.743400 (E_RNA)
where:
Base-Base interactions energy: -16.501
where: short stacking energy: -16.501
Base-Backbone interact. energy: -0.000
local terms energy: -20.242400
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -4.555
flat angles P-C4'-P energy: -2.081
tors. eta vs tors. theta energy: -4.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -30.092412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.092412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.092412 (E_RNA)
where:
Base-Base interactions energy: -13.562
where: short stacking energy: -12.570
Base-Backbone interact. energy: -0.010
local terms energy: -16.520638
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.051
flat angles C4'-P-C4' energy: -1.491
flat angles P-C4'-P energy: -2.686
tors. eta vs tors. theta energy: -3.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -35.775904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.775904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.775904 (E_RNA)
where:
Base-Base interactions energy: -17.387
where: short stacking energy: -17.387
Base-Backbone interact. energy: -0.000
local terms energy: -18.388943
where:
bonds (distance) C4'-P energy: -3.541
bonds (distance) P-C4' energy: -4.674
flat angles C4'-P-C4' energy: -3.503
flat angles P-C4'-P energy: -3.114
tors. eta vs tors. theta energy: -3.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -31.314386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.314386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.314386 (E_RNA)
where:
Base-Base interactions energy: -12.408
where: short stacking energy: -12.408
Base-Backbone interact. energy: -0.000
local terms energy: -18.906219
where:
bonds (distance) C4'-P energy: -4.311
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.294
flat angles P-C4'-P energy: -2.335
tors. eta vs tors. theta energy: -2.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -24.796041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.796041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.796041 (E_RNA)
where:
Base-Base interactions energy: -8.202
where: short stacking energy: -4.973
Base-Backbone interact. energy: 0.002
local terms energy: -16.596598
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.749
flat angles P-C4'-P energy: -2.289
tors. eta vs tors. theta energy: -0.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -27.576941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.576941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.576941 (E_RNA)
where:
Base-Base interactions energy: -12.085
where: short stacking energy: -12.085
Base-Backbone interact. energy: -0.000
local terms energy: -15.492180
where:
bonds (distance) C4'-P energy: -1.195
bonds (distance) P-C4' energy: -4.342
flat angles C4'-P-C4' energy: -4.411
flat angles P-C4'-P energy: -2.076
tors. eta vs tors. theta energy: -3.469
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: 10
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -25.526471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.526471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.526471 (E_RNA)
where:
Base-Base interactions energy: -11.372
where: short stacking energy: -11.372
Base-Backbone interact. energy: -0.001
local terms energy: -14.153492
where:
bonds (distance) C4'-P energy: -3.699
bonds (distance) P-C4' energy: -4.134
flat angles C4'-P-C4' energy: -1.369
flat angles P-C4'-P energy: -3.008
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: 9, replica: 1
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -27.481507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.481507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.481507 (E_RNA)
where:
Base-Base interactions energy: -11.746
where: short stacking energy: -11.746
Base-Backbone interact. energy: -0.000
local terms energy: -15.735909
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -3.481
flat angles P-C4'-P energy: -0.246
tors. eta vs tors. theta energy: -3.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -26.209767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.209767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.209767 (E_RNA)
where:
Base-Base interactions energy: -10.373
where: short stacking energy: -10.373
Base-Backbone interact. energy: -0.000
local terms energy: -15.836576
where:
bonds (distance) C4'-P energy: -3.185
bonds (distance) P-C4' energy: -3.299
flat angles C4'-P-C4' energy: -2.424
flat angles P-C4'-P energy: -3.136
tors. eta vs tors. theta energy: -3.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -32.722257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.722257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.722257 (E_RNA)
where:
Base-Base interactions energy: -12.579
where: short stacking energy: -12.579
Base-Backbone interact. energy: -0.000
local terms energy: -20.143132
where:
bonds (distance) C4'-P energy: -3.450
bonds (distance) P-C4' energy: -4.678
flat angles C4'-P-C4' energy: -4.328
flat angles P-C4'-P energy: -2.783
tors. eta vs tors. theta energy: -4.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -35.940224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.940224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.940224 (E_RNA)
where:
Base-Base interactions energy: -16.023
where: short stacking energy: -16.023
Base-Backbone interact. energy: -0.000
local terms energy: -19.917101
where:
bonds (distance) C4'-P energy: -3.781
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -3.566
flat angles P-C4'-P energy: -3.777
tors. eta vs tors. theta energy: -3.703
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: 3, replica: 2
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -27.783129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.783129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.783129 (E_RNA)
where:
Base-Base interactions energy: -14.302
where: short stacking energy: -8.013
Base-Backbone interact. energy: -0.043
local terms energy: -13.437556
where:
bonds (distance) C4'-P energy: -3.939
bonds (distance) P-C4' energy: -3.557
flat angles C4'-P-C4' energy: -3.564
flat angles P-C4'-P energy: -1.619
tors. eta vs tors. theta energy: -0.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -35.678420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.678420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.678420 (E_RNA)
where:
Base-Base interactions energy: -13.249
where: short stacking energy: -13.249
Base-Backbone interact. energy: -0.000
local terms energy: -22.429212
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.820
flat angles P-C4'-P energy: -3.788
tors. eta vs tors. theta energy: -4.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -26.745397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.745397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.745397 (E_RNA)
where:
Base-Base interactions energy: -9.057
where: short stacking energy: -9.057
Base-Backbone interact. energy: -0.000
local terms energy: -17.688893
where:
bonds (distance) C4'-P energy: -4.332
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.610
flat angles P-C4'-P energy: -1.784
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: 6, replica: 3
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -29.336912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.336912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.336912 (E_RNA)
where:
Base-Base interactions energy: -13.553
where: short stacking energy: -13.553
Base-Backbone interact. energy: -0.000
local terms energy: -15.783586
where:
bonds (distance) C4'-P energy: -2.900
bonds (distance) P-C4' energy: -4.373
flat angles C4'-P-C4' energy: -4.150
flat angles P-C4'-P energy: -1.164
tors. eta vs tors. theta energy: -3.197
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: 7, replica: 7
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -28.943493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.943493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.943493 (E_RNA)
where:
Base-Base interactions energy: -12.864
where: short stacking energy: -12.864
Base-Backbone interact. energy: -0.000
local terms energy: -16.079345
where:
bonds (distance) C4'-P energy: -3.335
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -3.608
flat angles P-C4'-P energy: -3.727
tors. eta vs tors. theta energy: -0.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -28.128577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.128577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.128577 (E_RNA)
where:
Base-Base interactions energy: -12.990
where: short stacking energy: -12.990
Base-Backbone interact. energy: -0.000
local terms energy: -15.138463
where:
bonds (distance) C4'-P energy: -3.699
bonds (distance) P-C4' energy: -3.944
flat angles C4'-P-C4' energy: -4.360
flat angles P-C4'-P energy: 0.328
tors. eta vs tors. theta energy: -3.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -23.833160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.833160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.833160 (E_RNA)
where:
Base-Base interactions energy: -8.557
where: short stacking energy: -8.557
Base-Backbone interact. energy: -0.000
local terms energy: -15.275651
where:
bonds (distance) C4'-P energy: -3.691
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -3.574
flat angles P-C4'-P energy: -2.624
tors. eta vs tors. theta energy: -0.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -26.765562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.765562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.765562 (E_RNA)
where:
Base-Base interactions energy: -7.821
where: short stacking energy: -7.821
Base-Backbone interact. energy: -0.000
local terms energy: -18.944314
where:
bonds (distance) C4'-P energy: -3.372
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -4.549
flat angles P-C4'-P energy: -3.545
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: 478
Temperature: 0.900000
Total energy: -36.355597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.355597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.355597 (E_RNA)
where:
Base-Base interactions energy: -15.927
where: short stacking energy: -15.927
Base-Backbone interact. energy: -0.000
local terms energy: -20.429050
where:
bonds (distance) C4'-P energy: -4.303
bonds (distance) P-C4' energy: -4.177
flat angles C4'-P-C4' energy: -4.555
flat angles P-C4'-P energy: -3.843
tors. eta vs tors. theta energy: -3.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -33.837745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.837745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.837745 (E_RNA)
where:
Base-Base interactions energy: -13.565
where: short stacking energy: -13.565
Base-Backbone interact. energy: -0.000
local terms energy: -20.272424
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -4.352
flat angles P-C4'-P energy: -3.710
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: 3, replica: 8
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -31.774463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.774463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.774463 (E_RNA)
where:
Base-Base interactions energy: -11.510
where: short stacking energy: -11.510
Base-Backbone interact. energy: -0.000
local terms energy: -20.264760
where:
bonds (distance) C4'-P energy: -4.039
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.678
flat angles P-C4'-P energy: -3.460
tors. eta vs tors. theta energy: -3.227
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: 2
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -29.002471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.002471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.002471 (E_RNA)
where:
Base-Base interactions energy: -11.493
where: short stacking energy: -11.493
Base-Backbone interact. energy: -0.000
local terms energy: -17.508986
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -4.628
flat angles C4'-P-C4' energy: -4.060
flat angles P-C4'-P energy: -3.455
tors. eta vs tors. theta energy: -1.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -29.973011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.973011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.973011 (E_RNA)
where:
Base-Base interactions energy: -13.504
where: short stacking energy: -13.504
Base-Backbone interact. energy: -0.000
local terms energy: -16.469016
where:
bonds (distance) C4'-P energy: -2.975
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -3.461
flat angles P-C4'-P energy: -3.598
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: 6, replica: 6
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -27.898907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.898907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.898907 (E_RNA)
where:
Base-Base interactions energy: -9.401
where: short stacking energy: -9.401
Base-Backbone interact. energy: -0.000
local terms energy: -18.498101
where:
bonds (distance) C4'-P energy: -1.198
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.035
flat angles P-C4'-P energy: -3.065
tors. eta vs tors. theta energy: -4.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -27.339985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.339985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.339985 (E_RNA)
where:
Base-Base interactions energy: -8.903
where: short stacking energy: -8.903
Base-Backbone interact. energy: -0.000
local terms energy: -18.436679
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.051
flat angles C4'-P-C4' energy: -3.484
flat angles P-C4'-P energy: -3.389
tors. eta vs tors. theta energy: -3.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -26.003036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.003036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.003036 (E_RNA)
where:
Base-Base interactions energy: -8.414
where: short stacking energy: -8.414
Base-Backbone interact. energy: -0.016
local terms energy: -17.573313
where:
bonds (distance) C4'-P energy: -4.303
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.870
flat angles P-C4'-P energy: -2.936
tors. eta vs tors. theta energy: -1.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -26.244886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.244886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.244886 (E_RNA)
where:
Base-Base interactions energy: -10.505
where: short stacking energy: -10.505
Base-Backbone interact. energy: -0.000
local terms energy: -15.739744
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -3.941
flat angles C4'-P-C4' energy: -4.628
flat angles P-C4'-P energy: -1.369
tors. eta vs tors. theta energy: -1.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -27.960195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.960195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.960195 (E_RNA)
where:
Base-Base interactions energy: -12.264
where: short stacking energy: -12.264
Base-Backbone interact. energy: -0.000
local terms energy: -15.696478
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -3.786
flat angles C4'-P-C4' energy: -4.294
flat angles P-C4'-P energy: -2.155
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: 1, replica: 4
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -32.594927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.594927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.594927 (E_RNA)
where:
Base-Base interactions energy: -13.463
where: short stacking energy: -13.463
Base-Backbone interact. energy: -0.000
local terms energy: -19.131538
where:
bonds (distance) C4'-P energy: -4.163
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.383
flat angles P-C4'-P energy: -2.923
tors. eta vs tors. theta energy: -2.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -36.640679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.640679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.640679 (E_RNA)
where:
Base-Base interactions energy: -18.359
where: short stacking energy: -18.359
Base-Backbone interact. energy: -0.000
local terms energy: -18.281379
where:
bonds (distance) C4'-P energy: -3.861
bonds (distance) P-C4' energy: -3.551
flat angles C4'-P-C4' energy: -3.471
flat angles P-C4'-P energy: -2.429
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: 3, replica: 5
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -33.600549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.600549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.600549 (E_RNA)
where:
Base-Base interactions energy: -12.084
where: short stacking energy: -12.084
Base-Backbone interact. energy: -0.000
local terms energy: -21.516652
where:
bonds (distance) C4'-P energy: -4.634
bonds (distance) P-C4' energy: -3.811
flat angles C4'-P-C4' energy: -4.339
flat angles P-C4'-P energy: -4.023
tors. eta vs tors. theta energy: -4.709
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: 3
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -34.234560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.234560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.234560 (E_RNA)
where:
Base-Base interactions energy: -12.756
where: short stacking energy: -12.756
Base-Backbone interact. energy: -0.000
local terms energy: -21.479002
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.862
flat angles P-C4'-P energy: -2.937
tors. eta vs tors. theta energy: -5.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -32.502457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.502457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.502457 (E_RNA)
where:
Base-Base interactions energy: -12.813
where: short stacking energy: -12.813
Base-Backbone interact. energy: -0.000
local terms energy: -19.689866
where:
bonds (distance) C4'-P energy: -3.451
bonds (distance) P-C4' energy: -3.332
flat angles C4'-P-C4' energy: -4.595
flat angles P-C4'-P energy: -3.573
tors. eta vs tors. theta energy: -4.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -31.727160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.727160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.727160 (E_RNA)
where:
Base-Base interactions energy: -15.993
where: short stacking energy: -15.993
Base-Backbone interact. energy: -0.000
local terms energy: -15.734070
where:
bonds (distance) C4'-P energy: -3.008
bonds (distance) P-C4' energy: -3.100
flat angles C4'-P-C4' energy: -2.324
flat angles P-C4'-P energy: -2.875
tors. eta vs tors. theta energy: -4.428
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: 6
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -32.493024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.493024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.493024 (E_RNA)
where:
Base-Base interactions energy: -12.794
where: short stacking energy: -12.794
Base-Backbone interact. energy: -0.000
local terms energy: -19.699242
where:
bonds (distance) C4'-P energy: -3.301
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.596
flat angles P-C4'-P energy: -3.243
tors. eta vs tors. theta energy: -4.465
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: 9
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -29.022080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.022080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.022080 (E_RNA)
where:
Base-Base interactions energy: -12.532
where: short stacking energy: -12.532
Base-Backbone interact. energy: -0.000
local terms energy: -16.490320
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -3.818
flat angles C4'-P-C4' energy: -2.757
flat angles P-C4'-P energy: -3.887
tors. eta vs tors. theta energy: -1.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -29.085801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.085801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.085801 (E_RNA)
where:
Base-Base interactions energy: -8.454
where: short stacking energy: -8.454
Base-Backbone interact. energy: -0.023
local terms energy: -20.608419
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.786
flat angles P-C4'-P energy: -3.708
tors. eta vs tors. theta energy: -2.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -27.121297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.121297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.121297 (E_RNA)
where:
Base-Base interactions energy: -13.079
where: short stacking energy: -13.079
Base-Backbone interact. energy: -0.001
local terms energy: -14.042196
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -3.490
flat angles C4'-P-C4' energy: -1.595
flat angles P-C4'-P energy: -1.328
tors. eta vs tors. theta energy: -3.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -33.670595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.670595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.670595 (E_RNA)
where:
Base-Base interactions energy: -14.664
where: short stacking energy: -14.664
Base-Backbone interact. energy: -0.000
local terms energy: -19.006620
where:
bonds (distance) C4'-P energy: -3.673
bonds (distance) P-C4' energy: -4.205
flat angles C4'-P-C4' energy: -4.010
flat angles P-C4'-P energy: -2.292
tors. eta vs tors. theta energy: -4.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -35.663129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.663129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.663129 (E_RNA)
where:
Base-Base interactions energy: -15.235
where: short stacking energy: -15.235
Base-Backbone interact. energy: -0.000
local terms energy: -20.428425
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -4.130
flat angles P-C4'-P energy: -3.149
tors. eta vs tors. theta energy: -3.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -29.009728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.009728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.009728 (E_RNA)
where:
Base-Base interactions energy: -11.924
where: short stacking energy: -11.924
Base-Backbone interact. energy: -0.000
local terms energy: -17.085305
where:
bonds (distance) C4'-P energy: -3.264
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -3.552
flat angles P-C4'-P energy: -3.735
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: 4, replica: 5
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -34.010605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.010605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.010605 (E_RNA)
where:
Base-Base interactions energy: -16.581
where: short stacking energy: -16.581
Base-Backbone interact. energy: -0.000
local terms energy: -17.429166
where:
bonds (distance) C4'-P energy: -2.387
bonds (distance) P-C4' energy: -4.336
flat angles C4'-P-C4' energy: -3.759
flat angles P-C4'-P energy: -3.690
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: 5, replica: 1
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -24.687483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.687483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.687483 (E_RNA)
where:
Base-Base interactions energy: -6.190
where: short stacking energy: -6.190
Base-Backbone interact. energy: -0.003
local terms energy: -18.495280
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -2.135
flat angles P-C4'-P energy: -3.758
tors. eta vs tors. theta energy: -3.227
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: 480
Temperature: 1.150000
Total energy: -34.679708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.679708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.679708 (E_RNA)
where:
Base-Base interactions energy: -12.696
where: short stacking energy: -12.696
Base-Backbone interact. energy: -0.000
local terms energy: -21.984183
where:
bonds (distance) C4'-P energy: -3.923
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -4.220
flat angles P-C4'-P energy: -3.484
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: 7, replica: 9
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -26.427710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.427710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.427710 (E_RNA)
where:
Base-Base interactions energy: -7.768
where: short stacking energy: -7.768
Base-Backbone interact. energy: -0.000
local terms energy: -18.659707
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -3.692
flat angles P-C4'-P energy: -2.190
tors. eta vs tors. theta energy: -3.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -23.663814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.663814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.663814 (E_RNA)
where:
Base-Base interactions energy: -7.889
where: short stacking energy: -7.889
Base-Backbone interact. energy: 0.798
local terms energy: -16.572391
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.413
flat angles C4'-P-C4' energy: -4.534
flat angles P-C4'-P energy: -3.191
tors. eta vs tors. theta energy: -0.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -27.692119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.692119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.692119 (E_RNA)
where:
Base-Base interactions energy: -10.328
where: short stacking energy: -10.328
Base-Backbone interact. energy: -0.044
local terms energy: -17.320570
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -4.051
flat angles C4'-P-C4' energy: -4.510
flat angles P-C4'-P energy: -3.122
tors. eta vs tors. theta energy: -1.011
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: 480
Temperature: 1.350000
Total energy: -27.212311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.212311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.212311 (E_RNA)
where:
Base-Base interactions energy: -10.802
where: short stacking energy: -10.802
Base-Backbone interact. energy: -0.000
local terms energy: -16.410138
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -4.051
flat angles C4'-P-C4' energy: -3.073
flat angles P-C4'-P energy: -3.337
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: 8
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -32.696976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.696976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.696976 (E_RNA)
where:
Base-Base interactions energy: -17.468
where: short stacking energy: -9.325
Base-Backbone interact. energy: -0.872
local terms energy: -14.357114
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.711
flat angles P-C4'-P energy: -2.538
tors. eta vs tors. theta energy: 1.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -34.605969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.605969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.605969 (E_RNA)
where:
Base-Base interactions energy: -16.588
where: short stacking energy: -16.588
Base-Backbone interact. energy: -0.000
local terms energy: -18.018233
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -4.410
flat angles C4'-P-C4' energy: -1.352
flat angles P-C4'-P energy: -3.569
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: 3, replica: 4
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -34.798973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.798973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.798973 (E_RNA)
where:
Base-Base interactions energy: -16.481
where: short stacking energy: -16.481
Base-Backbone interact. energy: -0.000
local terms energy: -18.318418
where:
bonds (distance) C4'-P energy: -2.209
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.194
flat angles P-C4'-P energy: -2.263
tors. eta vs tors. theta energy: -4.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -31.983596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.983596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.983596 (E_RNA)
where:
Base-Base interactions energy: -13.128
where: short stacking energy: -13.128
Base-Backbone interact. energy: -0.000
local terms energy: -18.856065
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.750
flat angles P-C4'-P energy: -3.101
tors. eta vs tors. theta energy: -3.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -29.448218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.448218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.448218 (E_RNA)
where:
Base-Base interactions energy: -11.594
where: short stacking energy: -11.594
Base-Backbone interact. energy: -0.007
local terms energy: -17.847153
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.413
flat angles C4'-P-C4' energy: -3.849
flat angles P-C4'-P energy: -2.030
tors. eta vs tors. theta energy: -3.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -28.908451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.908451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.908451 (E_RNA)
where:
Base-Base interactions energy: -13.386
where: short stacking energy: -12.402
Base-Backbone interact. energy: 0.000
local terms energy: -15.522361
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -1.387
flat angles P-C4'-P energy: -2.512
tors. eta vs tors. theta energy: -2.108
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: 2
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -28.104015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.104015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.104015 (E_RNA)
where:
Base-Base interactions energy: -12.195
where: short stacking energy: -12.195
Base-Backbone interact. energy: -0.000
local terms energy: -15.908448
where:
bonds (distance) C4'-P energy: -2.784
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.210
flat angles P-C4'-P energy: -1.976
tors. eta vs tors. theta energy: -2.820
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: 10
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -30.312862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.312862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.312862 (E_RNA)
where:
Base-Base interactions energy: -12.000
where: short stacking energy: -12.000
Base-Backbone interact. energy: -0.000
local terms energy: -18.312712
where:
bonds (distance) C4'-P energy: -4.341
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -2.623
flat angles P-C4'-P energy: -3.673
tors. eta vs tors. theta energy: -3.241
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: 6
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -23.074564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.074564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.074564 (E_RNA)
where:
Base-Base interactions energy: -7.421
where: short stacking energy: -7.421
Base-Backbone interact. energy: -0.000
local terms energy: -15.653938
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.376
flat angles P-C4'-P energy: -2.988
tors. eta vs tors. theta energy: -0.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -23.082191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.082191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.082191 (E_RNA)
where:
Base-Base interactions energy: -6.355
where: short stacking energy: -6.355
Base-Backbone interact. energy: -0.000
local terms energy: -16.727404
where:
bonds (distance) C4'-P energy: -3.699
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -3.670
flat angles P-C4'-P energy: -3.231
tors. eta vs tors. theta energy: -1.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -38.643481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.643481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.643481 (E_RNA)
where:
Base-Base interactions energy: -17.115
where: short stacking energy: -17.115
Base-Backbone interact. energy: -0.000
local terms energy: -21.528013
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -4.661
flat angles P-C4'-P energy: -3.654
tors. eta vs tors. theta energy: -4.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -32.121470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.121470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.121470 (E_RNA)
where:
Base-Base interactions energy: -12.019
where: short stacking energy: -12.019
Base-Backbone interact. energy: -0.005
local terms energy: -20.097444
where:
bonds (distance) C4'-P energy: -3.169
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.456
flat angles P-C4'-P energy: -4.021
tors. eta vs tors. theta energy: -3.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -30.150066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.150066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.150066 (E_RNA)
where:
Base-Base interactions energy: -14.099
where: short stacking energy: -14.099
Base-Backbone interact. energy: -0.020
local terms energy: -16.031136
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.339
flat angles C4'-P-C4' energy: -3.304
flat angles P-C4'-P energy: -2.779
tors. eta vs tors. theta energy: -1.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -32.335545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.335545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.335545 (E_RNA)
where:
Base-Base interactions energy: -15.444
where: short stacking energy: -15.444
Base-Backbone interact. energy: -0.000
local terms energy: -16.891532
where:
bonds (distance) C4'-P energy: -2.859
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -3.190
flat angles P-C4'-P energy: -2.271
tors. eta vs tors. theta energy: -3.690
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: 5, replica: 9
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -33.326064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.326064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.326064 (E_RNA)
where:
Base-Base interactions energy: -15.831
where: short stacking energy: -15.831
Base-Backbone interact. energy: -0.000
local terms energy: -17.494920
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -2.863
flat angles C4'-P-C4' energy: -4.255
flat angles P-C4'-P energy: -2.903
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: 6, replica: 5
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -28.264106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.264106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.264106 (E_RNA)
where:
Base-Base interactions energy: -11.194
where: short stacking energy: -11.194
Base-Backbone interact. energy: -0.000
local terms energy: -17.069788
where:
bonds (distance) C4'-P energy: -3.861
bonds (distance) P-C4' energy: -4.392
flat angles C4'-P-C4' energy: -3.432
flat angles P-C4'-P energy: -3.479
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: 7, replica: 10
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -28.096286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.096286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.096286 (E_RNA)
where:
Base-Base interactions energy: -10.941
where: short stacking energy: -10.941
Base-Backbone interact. energy: -0.000
local terms energy: -17.155032
where:
bonds (distance) C4'-P energy: -3.673
bonds (distance) P-C4' energy: -3.268
flat angles C4'-P-C4' energy: -3.288
flat angles P-C4'-P energy: -4.061
tors. eta vs tors. theta energy: -2.864
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: 8, replica: 2
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -26.151676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.151676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.151676 (E_RNA)
where:
Base-Base interactions energy: -9.932
where: short stacking energy: -9.932
Base-Backbone interact. energy: -0.000
local terms energy: -16.219439
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -2.725
flat angles P-C4'-P energy: -2.370
tors. eta vs tors. theta energy: -2.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -28.615975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.615975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.615975 (E_RNA)
where:
Base-Base interactions energy: -10.302
where: short stacking energy: -10.302
Base-Backbone interact. energy: -0.003
local terms energy: -18.311048
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.632
flat angles P-C4'-P energy: -2.943
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: 10, replica: 6
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -26.664813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.664813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.664813 (E_RNA)
where:
Base-Base interactions energy: -8.446
where: short stacking energy: -8.446
Base-Backbone interact. energy: -0.000
local terms energy: -18.218294
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.674
flat angles C4'-P-C4' energy: -3.689
flat angles P-C4'-P energy: -3.807
tors. eta vs tors. theta energy: -1.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -39.326862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.326862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.326862 (E_RNA)
where:
Base-Base interactions energy: -18.440
where: short stacking energy: -18.440
Base-Backbone interact. energy: -0.000
local terms energy: -20.886583
where:
bonds (distance) C4'-P energy: -3.815
bonds (distance) P-C4' energy: -4.054
flat angles C4'-P-C4' energy: -4.051
flat angles P-C4'-P energy: -3.709
tors. eta vs tors. theta energy: -5.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -35.519268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.519268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.519268 (E_RNA)
where:
Base-Base interactions energy: -13.547
where: short stacking energy: -13.547
Base-Backbone interact. energy: -0.000
local terms energy: -21.972248
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.295
flat angles P-C4'-P energy: -3.192
tors. eta vs tors. theta energy: -5.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -34.908855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.908855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.908855 (E_RNA)
where:
Base-Base interactions energy: -12.979
where: short stacking energy: -12.979
Base-Backbone interact. energy: -0.000
local terms energy: -21.929808
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.118
flat angles P-C4'-P energy: -2.841
tors. eta vs tors. theta energy: -5.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -28.770251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.770251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.770251 (E_RNA)
where:
Base-Base interactions energy: -10.125
where: short stacking energy: -10.125
Base-Backbone interact. energy: -0.001
local terms energy: -18.644112
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -3.830
flat angles P-C4'-P energy: -3.452
tors. eta vs tors. theta energy: -2.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -35.440870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.440870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.440870 (E_RNA)
where:
Base-Base interactions energy: -17.085
where: short stacking energy: -17.085
Base-Backbone interact. energy: -0.000
local terms energy: -18.355502
where:
bonds (distance) C4'-P energy: -2.059
bonds (distance) P-C4' energy: -4.202
flat angles C4'-P-C4' energy: -4.483
flat angles P-C4'-P energy: -2.014
tors. eta vs tors. theta energy: -5.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -31.958850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.958850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.958850 (E_RNA)
where:
Base-Base interactions energy: -14.410
where: short stacking energy: -14.410
Base-Backbone interact. energy: -0.000
local terms energy: -17.549092
where:
bonds (distance) C4'-P energy: -0.631
bonds (distance) P-C4' energy: -5.128
flat angles C4'-P-C4' energy: -4.101
flat angles P-C4'-P energy: -3.205
tors. eta vs tors. theta energy: -4.485
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: 5
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -27.590273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.590273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.590273 (E_RNA)
where:
Base-Base interactions energy: -7.538
where: short stacking energy: -7.538
Base-Backbone interact. energy: -0.000
local terms energy: -20.051782
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.356
flat angles P-C4'-P energy: -2.987
tors. eta vs tors. theta energy: -2.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -27.026506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.026506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.026506 (E_RNA)
where:
Base-Base interactions energy: -7.925
where: short stacking energy: -7.925
Base-Backbone interact. energy: -0.000
local terms energy: -19.101245
where:
bonds (distance) C4'-P energy: -2.954
bonds (distance) P-C4' energy: -5.361
flat angles C4'-P-C4' energy: -4.890
flat angles P-C4'-P energy: -2.922
tors. eta vs tors. theta energy: -2.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -23.277513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.277513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.277513 (E_RNA)
where:
Base-Base interactions energy: -4.945
where: short stacking energy: -4.945
Base-Backbone interact. energy: -0.000
local terms energy: -18.332660
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.779
flat angles P-C4'-P energy: -3.049
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: 10, replica: 6
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -21.559788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.559788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.559788 (E_RNA)
where:
Base-Base interactions energy: -7.247
where: short stacking energy: -3.797
Base-Backbone interact. energy: -0.098
local terms energy: -14.214336
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.656
flat angles C4'-P-C4' energy: -4.176
flat angles P-C4'-P energy: -0.138
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: 1
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -38.152448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.152448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.152448 (E_RNA)
where:
Base-Base interactions energy: -17.009
where: short stacking energy: -17.009
Base-Backbone interact. energy: -0.000
local terms energy: -21.143388
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -3.794
flat angles P-C4'-P energy: -2.839
tors. eta vs tors. theta energy: -5.566
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: 8
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -38.404842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.404842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.404842 (E_RNA)
where:
Base-Base interactions energy: -17.069
where: short stacking energy: -17.069
Base-Backbone interact. energy: -0.000
local terms energy: -21.335424
where:
bonds (distance) C4'-P energy: -2.975
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -4.534
flat angles P-C4'-P energy: -3.234
tors. eta vs tors. theta energy: -5.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -30.754514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.754514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.754514 (E_RNA)
where:
Base-Base interactions energy: -10.704
where: short stacking energy: -10.704
Base-Backbone interact. energy: -0.004
local terms energy: -20.046372
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -4.589
flat angles P-C4'-P energy: -2.874
tors. eta vs tors. theta energy: -2.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -26.200442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.200442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.200442 (E_RNA)
where:
Base-Base interactions energy: -12.175
where: short stacking energy: -12.175
Base-Backbone interact. energy: -0.000
local terms energy: -14.025564
where:
bonds (distance) C4'-P energy: -3.637
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -2.557
flat angles P-C4'-P energy: -1.615
tors. eta vs tors. theta energy: -1.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -30.790048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.790048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.790048 (E_RNA)
where:
Base-Base interactions energy: -13.744
where: short stacking energy: -13.744
Base-Backbone interact. energy: -0.000
local terms energy: -17.045595
where:
bonds (distance) C4'-P energy: -2.805
bonds (distance) P-C4' energy: -3.332
flat angles C4'-P-C4' energy: -2.528
flat angles P-C4'-P energy: -3.460
tors. eta vs tors. theta energy: -4.920
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: 4
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -28.535770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.535770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.535770 (E_RNA)
where:
Base-Base interactions energy: -12.134
where: short stacking energy: -12.134
Base-Backbone interact. energy: -0.000
local terms energy: -16.401514
where:
bonds (distance) C4'-P energy: -3.939
bonds (distance) P-C4' energy: -1.032
flat angles C4'-P-C4' energy: -4.080
flat angles P-C4'-P energy: -3.900
tors. eta vs tors. theta energy: -3.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -28.566304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.566304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.566304 (E_RNA)
where:
Base-Base interactions energy: -9.248
where: short stacking energy: -9.248
Base-Backbone interact. energy: -0.000
local terms energy: -19.318613
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.603
flat angles C4'-P-C4' energy: -4.633
flat angles P-C4'-P energy: -3.721
tors. eta vs tors. theta energy: -2.253
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: 484
Temperature: 1.250000
Total energy: -27.550551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.550551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.550551 (E_RNA)
where:
Base-Base interactions energy: -9.314
where: short stacking energy: -9.314
Base-Backbone interact. energy: -0.000
local terms energy: -18.236136
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -3.644
flat angles P-C4'-P energy: -1.829
tors. eta vs tors. theta energy: -3.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -28.523794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.523794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.523794 (E_RNA)
where:
Base-Base interactions energy: -11.196
where: short stacking energy: -11.196
Base-Backbone interact. energy: -0.003
local terms energy: -17.324038
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.653
flat angles C4'-P-C4' energy: -4.451
flat angles P-C4'-P energy: -3.397
tors. eta vs tors. theta energy: -0.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -23.189285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.189285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.189285 (E_RNA)
where:
Base-Base interactions energy: -8.387
where: short stacking energy: -8.387
Base-Backbone interact. energy: -0.000
local terms energy: -14.802237
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -2.817
flat angles C4'-P-C4' energy: -3.692
flat angles P-C4'-P energy: -3.325
tors. eta vs tors. theta energy: -1.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -35.676926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.676926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.676926 (E_RNA)
where:
Base-Base interactions energy: -16.494
where: short stacking energy: -10.757
Base-Backbone interact. energy: -0.001
local terms energy: -19.181203
where:
bonds (distance) C4'-P energy: -3.923
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -4.629
flat angles P-C4'-P energy: -2.321
tors. eta vs tors. theta energy: -2.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -36.548061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.548061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.548061 (E_RNA)
where:
Base-Base interactions energy: -17.354
where: short stacking energy: -17.354
Base-Backbone interact. energy: -0.000
local terms energy: -19.194453
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -3.143
flat angles P-C4'-P energy: -2.846
tors. eta vs tors. theta energy: -3.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -35.465066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.465066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.465066 (E_RNA)
where:
Base-Base interactions energy: -17.815
where: short stacking energy: -17.815
Base-Backbone interact. energy: -0.000
local terms energy: -17.649745
where:
bonds (distance) C4'-P energy: -2.681
bonds (distance) P-C4' energy: -3.364
flat angles C4'-P-C4' energy: -4.629
flat angles P-C4'-P energy: -3.171
tors. eta vs tors. theta energy: -3.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -29.853047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.853047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.853047 (E_RNA)
where:
Base-Base interactions energy: -11.767
where: short stacking energy: -11.767
Base-Backbone interact. energy: 0.468
local terms energy: -18.553506
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -4.177
flat angles C4'-P-C4' energy: -3.773
flat angles P-C4'-P energy: -3.624
tors. eta vs tors. theta energy: -2.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -27.328006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.328006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.328006 (E_RNA)
where:
Base-Base interactions energy: -10.677
where: short stacking energy: -10.677
Base-Backbone interact. energy: -0.000
local terms energy: -16.650677
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -3.775
flat angles P-C4'-P energy: -3.777
tors. eta vs tors. theta energy: -0.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -26.284143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.284143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.284143 (E_RNA)
where:
Base-Base interactions energy: -8.445
where: short stacking energy: -8.445
Base-Backbone interact. energy: -0.000
local terms energy: -17.839297
where:
bonds (distance) C4'-P energy: -4.009
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -3.412
flat angles P-C4'-P energy: -2.936
tors. eta vs tors. theta energy: -2.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -33.524088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.524088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.524088 (E_RNA)
where:
Base-Base interactions energy: -15.788
where: short stacking energy: -15.788
Base-Backbone interact. energy: -0.000
local terms energy: -17.736490
where:
bonds (distance) C4'-P energy: -3.923
bonds (distance) P-C4' energy: -4.624
flat angles C4'-P-C4' energy: -4.318
flat angles P-C4'-P energy: -0.121
tors. eta vs tors. theta energy: -4.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -28.439755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.439755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.439755 (E_RNA)
where:
Base-Base interactions energy: -10.123
where: short stacking energy: -10.123
Base-Backbone interact. energy: -0.000
local terms energy: -18.316891
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -2.726
flat angles P-C4'-P energy: -2.101
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: 9, replica: 5
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -28.017484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.017484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.017484 (E_RNA)
where:
Base-Base interactions energy: -9.798
where: short stacking energy: -9.798
Base-Backbone interact. energy: -0.000
local terms energy: -18.219133
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.674
flat angles C4'-P-C4' energy: -3.824
flat angles P-C4'-P energy: -2.707
tors. eta vs tors. theta energy: -2.612
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: 2
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -25.714263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.714263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.714263 (E_RNA)
where:
Base-Base interactions energy: -11.093
where: short stacking energy: -11.093
Base-Backbone interact. energy: -0.002
local terms energy: -14.618840
where:
bonds (distance) C4'-P energy: -2.954
bonds (distance) P-C4' energy: -3.557
flat angles C4'-P-C4' energy: -3.673
flat angles P-C4'-P energy: -2.537
tors. eta vs tors. theta energy: -1.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -39.216718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.216718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.216718 (E_RNA)
where:
Base-Base interactions energy: -17.055
where: short stacking energy: -17.055
Base-Backbone interact. energy: -0.000
local terms energy: -22.161249
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -4.839
flat angles C4'-P-C4' energy: -4.536
flat angles P-C4'-P energy: -3.559
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: 2, replica: 1
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -33.042838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.042838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.042838 (E_RNA)
where:
Base-Base interactions energy: -14.791
where: short stacking energy: -14.791
Base-Backbone interact. energy: -0.000
local terms energy: -18.252128
where:
bonds (distance) C4'-P energy: -3.541
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -2.891
flat angles P-C4'-P energy: -3.441
tors. eta vs tors. theta energy: -3.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -36.662982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.662982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.662982 (E_RNA)
where:
Base-Base interactions energy: -16.159
where: short stacking energy: -16.159
Base-Backbone interact. energy: -0.000
local terms energy: -20.503845
where:
bonds (distance) C4'-P energy: -3.753
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.770
flat angles P-C4'-P energy: -3.815
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: 4, replica: 9
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -30.208857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.208857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.208857 (E_RNA)
where:
Base-Base interactions energy: -10.975
where: short stacking energy: -10.975
Base-Backbone interact. energy: -0.005
local terms energy: -19.229661
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.173
flat angles P-C4'-P energy: -3.107
tors. eta vs tors. theta energy: -2.318
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: 5, replica: 4
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -27.860211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.860211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.860211 (E_RNA)
where:
Base-Base interactions energy: -12.476
where: short stacking energy: -12.476
Base-Backbone interact. energy: -0.017
local terms energy: -15.367323
where:
bonds (distance) C4'-P energy: -4.643
bonds (distance) P-C4' energy: -3.889
flat angles C4'-P-C4' energy: -2.878
flat angles P-C4'-P energy: -3.204
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: 6, replica: 3
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -33.535093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.535093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.535093 (E_RNA)
where:
Base-Base interactions energy: -16.264
where: short stacking energy: -16.264
Base-Backbone interact. energy: -0.000
local terms energy: -17.270846
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -3.370
flat angles C4'-P-C4' energy: -3.646
flat angles P-C4'-P energy: -0.824
tors. eta vs tors. theta energy: -5.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -27.000139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.000139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.000139 (E_RNA)
where:
Base-Base interactions energy: -10.628
where: short stacking energy: -10.628
Base-Backbone interact. energy: -0.000
local terms energy: -16.371768
where:
bonds (distance) C4'-P energy: -3.301
bonds (distance) P-C4' energy: -3.892
flat angles C4'-P-C4' energy: -3.090
flat angles P-C4'-P energy: -3.806
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: 8, replica: 7
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -29.994409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.994409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.994409 (E_RNA)
where:
Base-Base interactions energy: -10.425
where: short stacking energy: -10.425
Base-Backbone interact. energy: -0.000
local terms energy: -19.569034
where:
bonds (distance) C4'-P energy: -3.513
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -3.918
flat angles P-C4'-P energy: -3.644
tors. eta vs tors. theta energy: -3.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -25.209499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.209499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.209499 (E_RNA)
where:
Base-Base interactions energy: -8.740
where: short stacking energy: -8.740
Base-Backbone interact. energy: -0.000
local terms energy: -16.469896
where:
bonds (distance) C4'-P energy: -3.247
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.469
flat angles P-C4'-P energy: -2.740
tors. eta vs tors. theta energy: -1.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -26.550970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.550970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.550970 (E_RNA)
where:
Base-Base interactions energy: -9.644
where: short stacking energy: -9.644
Base-Backbone interact. energy: -0.004
local terms energy: -16.903470
where:
bonds (distance) C4'-P energy: -4.154
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -2.043
flat angles P-C4'-P energy: -0.712
tors. eta vs tors. theta energy: -4.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -29.819669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.819669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.819669 (E_RNA)
where:
Base-Base interactions energy: -12.879
where: short stacking energy: -12.879
Base-Backbone interact. energy: -0.000
local terms energy: -16.940205
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -3.850
flat angles P-C4'-P energy: -2.651
tors. eta vs tors. theta energy: -1.497
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: 10
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -32.420022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.420022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.420022 (E_RNA)
where:
Base-Base interactions energy: -13.493
where: short stacking energy: -13.493
Base-Backbone interact. energy: -0.000
local terms energy: -18.927108
where:
bonds (distance) C4'-P energy: -3.939
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.816
flat angles P-C4'-P energy: -1.764
tors. eta vs tors. theta energy: -3.054
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: 1
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -34.562423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.562423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.562423 (E_RNA)
where:
Base-Base interactions energy: -16.403
where: short stacking energy: -16.403
Base-Backbone interact. energy: -0.000
local terms energy: -18.159665
where:
bonds (distance) C4'-P energy: -2.812
bonds (distance) P-C4' energy: -3.490
flat angles C4'-P-C4' energy: -3.436
flat angles P-C4'-P energy: -3.700
tors. eta vs tors. theta energy: -4.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -35.400251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.400251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.400251 (E_RNA)
where:
Base-Base interactions energy: -18.452
where: short stacking energy: -10.775
Base-Backbone interact. energy: -0.002
local terms energy: -16.945943
where:
bonds (distance) C4'-P energy: -4.009
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -2.960
flat angles P-C4'-P energy: -3.215
tors. eta vs tors. theta energy: -1.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -30.055693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.055693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.055693 (E_RNA)
where:
Base-Base interactions energy: -12.474
where: short stacking energy: -12.474
Base-Backbone interact. energy: -0.000
local terms energy: -17.581304
where:
bonds (distance) C4'-P energy: -3.247
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -2.555
flat angles P-C4'-P energy: -2.372
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: 6, replica: 6
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -28.570110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.570110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.570110 (E_RNA)
where:
Base-Base interactions energy: -12.088
where: short stacking energy: -12.088
Base-Backbone interact. energy: -0.000
local terms energy: -16.481353
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.257
flat angles P-C4'-P energy: -2.860
tors. eta vs tors. theta energy: -1.580
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: 3
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -28.751500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.751500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.751500 (E_RNA)
where:
Base-Base interactions energy: -11.957
where: short stacking energy: -11.957
Base-Backbone interact. energy: -0.000
local terms energy: -16.794608
where:
bonds (distance) C4'-P energy: -3.169
bonds (distance) P-C4' energy: -3.786
flat angles C4'-P-C4' energy: -3.787
flat angles P-C4'-P energy: -3.179
tors. eta vs tors. theta energy: -2.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -28.122981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.122981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.122981 (E_RNA)
where:
Base-Base interactions energy: -11.838
where: short stacking energy: -11.838
Base-Backbone interact. energy: -0.002
local terms energy: -16.283196
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -4.177
flat angles C4'-P-C4' energy: -3.364
flat angles P-C4'-P energy: -1.440
tors. eta vs tors. theta energy: -2.784
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: 7
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -28.272407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.272407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.272407 (E_RNA)
where:
Base-Base interactions energy: -12.005
where: short stacking energy: -12.005
Base-Backbone interact. energy: -0.000
local terms energy: -16.267025
where:
bonds (distance) C4'-P energy: -1.525
bonds (distance) P-C4' energy: -3.793
flat angles C4'-P-C4' energy: -4.766
flat angles P-C4'-P energy: -2.410
tors. eta vs tors. theta energy: -3.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -24.747736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.747736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.747736 (E_RNA)
where:
Base-Base interactions energy: -8.932
where: short stacking energy: -8.932
Base-Backbone interact. energy: -0.044
local terms energy: -15.772619
where:
bonds (distance) C4'-P energy: -3.923
bonds (distance) P-C4' energy: -4.631
flat angles C4'-P-C4' energy: -3.523
flat angles P-C4'-P energy: -3.492
tors. eta vs tors. theta energy: -0.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -29.433217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.433217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.433217 (E_RNA)
where:
Base-Base interactions energy: -11.241
where: short stacking energy: -11.241
Base-Backbone interact. energy: -0.000
local terms energy: -18.191569
where:
bonds (distance) C4'-P energy: -3.459
bonds (distance) P-C4' energy: -4.839
flat angles C4'-P-C4' energy: -4.924
flat angles P-C4'-P energy: -3.624
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: 2, replica: 8
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -32.926754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.926754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.926754 (E_RNA)
where:
Base-Base interactions energy: -12.548
where: short stacking energy: -12.548
Base-Backbone interact. energy: -0.000
local terms energy: -20.378442
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -4.485
flat angles P-C4'-P energy: -3.193
tors. eta vs tors. theta energy: -3.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -31.330483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.330483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.330483 (E_RNA)
where:
Base-Base interactions energy: -16.079
where: short stacking energy: -16.079
Base-Backbone interact. energy: -0.000
local terms energy: -15.250979
where:
bonds (distance) C4'-P energy: -3.152
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -1.915
flat angles P-C4'-P energy: -2.442
tors. eta vs tors. theta energy: -3.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -31.093215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.093215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.093215 (E_RNA)
where:
Base-Base interactions energy: -12.017
where: short stacking energy: -12.017
Base-Backbone interact. energy: -0.000
local terms energy: -19.076308
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -3.633
flat angles P-C4'-P energy: -3.304
tors. eta vs tors. theta energy: -2.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -32.412985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.412985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.412985 (E_RNA)
where:
Base-Base interactions energy: -12.154
where: short stacking energy: -12.154
Base-Backbone interact. energy: -0.000
local terms energy: -20.258584
where:
bonds (distance) C4'-P energy: -3.939
bonds (distance) P-C4' energy: -4.653
flat angles C4'-P-C4' energy: -4.515
flat angles P-C4'-P energy: -2.725
tors. eta vs tors. theta energy: -4.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -26.855872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.855872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.855872 (E_RNA)
where:
Base-Base interactions energy: -10.013
where: short stacking energy: -10.013
Base-Backbone interact. energy: -0.009
local terms energy: -16.834376
where:
bonds (distance) C4'-P energy: -2.892
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -4.451
flat angles P-C4'-P energy: -3.704
tors. eta vs tors. theta energy: -0.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -24.724116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.724116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.724116 (E_RNA)
where:
Base-Base interactions energy: -8.839
where: short stacking energy: -8.839
Base-Backbone interact. energy: -0.003
local terms energy: -15.881712
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -4.572
flat angles C4'-P-C4' energy: -4.099
flat angles P-C4'-P energy: -1.837
tors. eta vs tors. theta energy: -1.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -29.867798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.867798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.867798 (E_RNA)
where:
Base-Base interactions energy: -11.020
where: short stacking energy: -11.020
Base-Backbone interact. energy: -0.000
local terms energy: -18.847290
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.832
flat angles C4'-P-C4' energy: -3.907
flat angles P-C4'-P energy: -2.782
tors. eta vs tors. theta energy: -2.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -30.814523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.814523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.814523 (E_RNA)
where:
Base-Base interactions energy: -15.853
where: short stacking energy: -15.853
Base-Backbone interact. energy: -0.000
local terms energy: -14.961505
where:
bonds (distance) C4'-P energy: -2.465
bonds (distance) P-C4' energy: -4.410
flat angles C4'-P-C4' energy: -4.187
flat angles P-C4'-P energy: -1.011
tors. eta vs tors. theta energy: -2.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -30.087587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.087587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.087587 (E_RNA)
where:
Base-Base interactions energy: -13.243
where: short stacking energy: -13.423
Base-Backbone interact. energy: -0.002
local terms energy: -16.843016
where:
bonds (distance) C4'-P energy: -3.781
bonds (distance) P-C4' energy: -2.803
flat angles C4'-P-C4' energy: -3.358
flat angles P-C4'-P energy: -3.631
tors. eta vs tors. theta energy: -3.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -38.034672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.034672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.034672 (E_RNA)
where:
Base-Base interactions energy: -17.899
where: short stacking energy: -17.899
Base-Backbone interact. energy: -0.000
local terms energy: -20.135805
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -4.433
flat angles P-C4'-P energy: -3.593
tors. eta vs tors. theta energy: -3.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -31.400405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.400405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.400405 (E_RNA)
where:
Base-Base interactions energy: -15.544
where: short stacking energy: -9.248
Base-Backbone interact. energy: -0.390
local terms energy: -15.465723
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -4.047
flat angles C4'-P-C4' energy: -4.695
flat angles P-C4'-P energy: -1.747
tors. eta vs tors. theta energy: -0.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -38.910281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.910281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.910281 (E_RNA)
where:
Base-Base interactions energy: -17.658
where: short stacking energy: -17.658
Base-Backbone interact. energy: -0.000
local terms energy: -21.252631
where:
bonds (distance) C4'-P energy: -4.009
bonds (distance) P-C4' energy: -3.557
flat angles C4'-P-C4' energy: -4.693
flat angles P-C4'-P energy: -4.091
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: 4, replica: 6
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -26.300048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.300048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.300048 (E_RNA)
where:
Base-Base interactions energy: -8.418
where: short stacking energy: -8.418
Base-Backbone interact. energy: -0.000
local terms energy: -17.881738
where:
bonds (distance) C4'-P energy: -4.419
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.082
flat angles P-C4'-P energy: -2.673
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: 5, replica: 1
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -35.245053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.245053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.245053 (E_RNA)
where:
Base-Base interactions energy: -17.516
where: short stacking energy: -17.516
Base-Backbone interact. energy: -0.000
local terms energy: -17.728699
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -3.345
flat angles C4'-P-C4' energy: -3.656
flat angles P-C4'-P energy: -2.760
tors. eta vs tors. theta energy: -3.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -35.889093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.889093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.889093 (E_RNA)
where:
Base-Base interactions energy: -16.446
where: short stacking energy: -16.446
Base-Backbone interact. energy: -0.000
local terms energy: -19.443222
where:
bonds (distance) C4'-P energy: -2.415
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.751
flat angles P-C4'-P energy: -2.935
tors. eta vs tors. theta energy: -5.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -28.965358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.965358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.965358 (E_RNA)
where:
Base-Base interactions energy: -10.531
where: short stacking energy: -10.531
Base-Backbone interact. energy: -0.000
local terms energy: -18.434503
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -2.325
flat angles P-C4'-P energy: -2.324
tors. eta vs tors. theta energy: -4.215
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: 489
Temperature: 1.250000
Total energy: -24.327964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.327964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.327964 (E_RNA)
where:
Base-Base interactions energy: -11.234
where: short stacking energy: -11.234
Base-Backbone interact. energy: -0.004
local terms energy: -13.090221
where:
bonds (distance) C4'-P energy: -3.781
bonds (distance) P-C4' energy: -5.128
flat angles C4'-P-C4' energy: -3.052
flat angles P-C4'-P energy: 0.298
tors. eta vs tors. theta energy: -1.426
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: 9, replica: 3
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -26.573812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.573812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.573812 (E_RNA)
where:
Base-Base interactions energy: -10.322
where: short stacking energy: -10.322
Base-Backbone interact. energy: -0.000
local terms energy: -16.251609
where:
bonds (distance) C4'-P energy: -2.954
bonds (distance) P-C4' energy: -3.582
flat angles C4'-P-C4' energy: -4.664
flat angles P-C4'-P energy: -2.774
tors. eta vs tors. theta energy: -2.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -25.619964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.619964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.619964 (E_RNA)
where:
Base-Base interactions energy: -7.489
where: short stacking energy: -7.489
Base-Backbone interact. energy: -0.003
local terms energy: -18.128394
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -3.328
flat angles P-C4'-P energy: -2.994
tors. eta vs tors. theta energy: -1.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -38.876555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.876555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.876555 (E_RNA)
where:
Base-Base interactions energy: -17.682
where: short stacking energy: -17.682
Base-Backbone interact. energy: -0.000
local terms energy: -21.194665
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -4.177
flat angles C4'-P-C4' energy: -4.628
flat angles P-C4'-P energy: -3.108
tors. eta vs tors. theta energy: -5.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -32.496392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.496392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.496392 (E_RNA)
where:
Base-Base interactions energy: -11.194
where: short stacking energy: -11.194
Base-Backbone interact. energy: -0.000
local terms energy: -21.302551
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -3.578
flat angles C4'-P-C4' energy: -4.417
flat angles P-C4'-P energy: -4.033
tors. eta vs tors. theta energy: -5.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -30.305449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.305449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.305449 (E_RNA)
where:
Base-Base interactions energy: -13.545
where: short stacking energy: -11.350
Base-Backbone interact. energy: -0.703
local terms energy: -16.057550
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -4.100
flat angles P-C4'-P energy: -1.663
tors. eta vs tors. theta energy: -1.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -30.703662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.703662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.703662 (E_RNA)
where:
Base-Base interactions energy: -12.530
where: short stacking energy: -12.530
Base-Backbone interact. energy: -0.000
local terms energy: -18.173818
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -4.410
flat angles C4'-P-C4' energy: -4.666
flat angles P-C4'-P energy: -2.041
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: 5, replica: 2
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -26.223801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.223801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.223801 (E_RNA)
where:
Base-Base interactions energy: -8.325
where: short stacking energy: -8.113
Base-Backbone interact. energy: -0.083
local terms energy: -17.815621
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -3.962
flat angles P-C4'-P energy: -3.824
tors. eta vs tors. theta energy: -1.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -37.372303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.372303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.372303 (E_RNA)
where:
Base-Base interactions energy: -15.952
where: short stacking energy: -15.952
Base-Backbone interact. energy: -0.000
local terms energy: -21.420240
where:
bonds (distance) C4'-P energy: -3.487
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -4.559
flat angles P-C4'-P energy: -3.843
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: 7, replica: 5
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -32.105837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.105837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.105837 (E_RNA)
where:
Base-Base interactions energy: -12.400
where: short stacking energy: -12.400
Base-Backbone interact. energy: -0.000
local terms energy: -19.705951
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.379
flat angles P-C4'-P energy: -3.122
tors. eta vs tors. theta energy: -2.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -31.270523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.270523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.270523 (E_RNA)
where:
Base-Base interactions energy: -13.602
where: short stacking energy: -13.602
Base-Backbone interact. energy: -0.000
local terms energy: -17.668786
where:
bonds (distance) C4'-P energy: -3.363
bonds (distance) P-C4' energy: -3.818
flat angles C4'-P-C4' energy: -3.725
flat angles P-C4'-P energy: -2.359
tors. eta vs tors. theta energy: -4.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -24.950176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.950176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.950176 (E_RNA)
where:
Base-Base interactions energy: -8.235
where: short stacking energy: -8.235
Base-Backbone interact. energy: -0.014
local terms energy: -16.701663
where:
bonds (distance) C4'-P energy: -3.380
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.349
flat angles P-C4'-P energy: -3.319
tors. eta vs tors. theta energy: -0.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -28.706235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.706235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.706235 (E_RNA)
where:
Base-Base interactions energy: -10.295
where: short stacking energy: -10.295
Base-Backbone interact. energy: -0.000
local terms energy: -18.411011
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -3.518
flat angles C4'-P-C4' energy: -4.801
flat angles P-C4'-P energy: -3.156
tors. eta vs tors. theta energy: -2.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -37.395425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.395425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.395425 (E_RNA)
where:
Base-Base interactions energy: -15.787
where: short stacking energy: -15.787
Base-Backbone interact. energy: -0.000
local terms energy: -21.608390
where:
bonds (distance) C4'-P energy: -4.233
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -4.629
flat angles P-C4'-P energy: -3.376
tors. eta vs tors. theta energy: -4.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -37.785505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.785505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.785505 (E_RNA)
where:
Base-Base interactions energy: -16.237
where: short stacking energy: -16.237
Base-Backbone interact. energy: -0.000
local terms energy: -21.548255
where:
bonds (distance) C4'-P energy: -3.247
bonds (distance) P-C4' energy: -4.575
flat angles C4'-P-C4' energy: -4.678
flat angles P-C4'-P energy: -3.511
tors. eta vs tors. theta energy: -5.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -31.381681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.381681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.381681 (E_RNA)
where:
Base-Base interactions energy: -13.941
where: short stacking energy: -13.941
Base-Backbone interact. energy: -0.000
local terms energy: -17.440340
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.604
flat angles P-C4'-P energy: -1.056
tors. eta vs tors. theta energy: -1.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -32.716944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.716944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.716944 (E_RNA)
where:
Base-Base interactions energy: -13.764
where: short stacking energy: -13.764
Base-Backbone interact. energy: -0.000
local terms energy: -18.953077
where:
bonds (distance) C4'-P energy: -3.691
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -2.610
flat angles P-C4'-P energy: -4.110
tors. eta vs tors. theta energy: -3.195
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: 491
Temperature: 1.100000
Total energy: -24.981914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.981914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.981914 (E_RNA)
where:
Base-Base interactions energy: -9.896
where: short stacking energy: -9.896
Base-Backbone interact. energy: -0.000
local terms energy: -15.086363
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -3.349
flat angles C4'-P-C4' energy: -4.225
flat angles P-C4'-P energy: -1.505
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: 6, replica: 5
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -28.139492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.139492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.139492 (E_RNA)
where:
Base-Base interactions energy: -12.109
where: short stacking energy: -12.109
Base-Backbone interact. energy: -0.000
local terms energy: -16.030189
where:
bonds (distance) C4'-P energy: -1.588
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -4.453
flat angles P-C4'-P energy: -1.194
tors. eta vs tors. theta energy: -4.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -26.067622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.067622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.067622 (E_RNA)
where:
Base-Base interactions energy: -9.940
where: short stacking energy: -9.940
Base-Backbone interact. energy: -0.000
local terms energy: -16.127173
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.820
flat angles P-C4'-P energy: -0.307
tors. eta vs tors. theta energy: -2.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -31.268978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.268978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.268978 (E_RNA)
where:
Base-Base interactions energy: -10.543
where: short stacking energy: -10.543
Base-Backbone interact. energy: -0.000
local terms energy: -20.726055
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -3.878
flat angles P-C4'-P energy: -3.021
tors. eta vs tors. theta energy: -4.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -27.418359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.418359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.418359 (E_RNA)
where:
Base-Base interactions energy: -11.144
where: short stacking energy: -11.144
Base-Backbone interact. energy: -0.000
local terms energy: -16.274677
where:
bonds (distance) C4'-P energy: -2.672
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -2.983
flat angles P-C4'-P energy: -1.529
tors. eta vs tors. theta energy: -4.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -25.367987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.367987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.367987 (E_RNA)
where:
Base-Base interactions energy: -10.173
where: short stacking energy: -10.173
Base-Backbone interact. energy: -0.000
local terms energy: -15.194963
where:
bonds (distance) C4'-P energy: -2.510
bonds (distance) P-C4' energy: -4.839
flat angles C4'-P-C4' energy: -3.827
flat angles P-C4'-P energy: -3.624
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: 6
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -34.299489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.299489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.299489 (E_RNA)
where:
Base-Base interactions energy: -13.929
where: short stacking energy: -13.929
Base-Backbone interact. energy: -0.000
local terms energy: -20.370318
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.661
flat angles P-C4'-P energy: -2.945
tors. eta vs tors. theta energy: -3.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -35.083334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.083334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.083334 (E_RNA)
where:
Base-Base interactions energy: -16.818
where: short stacking energy: -16.818
Base-Backbone interact. energy: -0.000
local terms energy: -18.265188
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -3.957
flat angles P-C4'-P energy: -2.371
tors. eta vs tors. theta energy: -3.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -34.304653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.304653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.304653 (E_RNA)
where:
Base-Base interactions energy: -13.818
where: short stacking energy: -13.818
Base-Backbone interact. energy: -0.006
local terms energy: -20.479877
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -4.633
flat angles P-C4'-P energy: -3.786
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: 4, replica: 10
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -32.752968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.752968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.752968 (E_RNA)
where:
Base-Base interactions energy: -15.943
where: short stacking energy: -15.943
Base-Backbone interact. energy: -0.000
local terms energy: -16.809618
where:
bonds (distance) C4'-P energy: -2.518
bonds (distance) P-C4' energy: -4.103
flat angles C4'-P-C4' energy: -3.269
flat angles P-C4'-P energy: -2.934
tors. eta vs tors. theta energy: -3.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -29.510260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.510260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.510260 (E_RNA)
where:
Base-Base interactions energy: -13.626
where: short stacking energy: -13.626
Base-Backbone interact. energy: -0.000
local terms energy: -15.884603
where:
bonds (distance) C4'-P energy: -2.900
bonds (distance) P-C4' energy: -3.544
flat angles C4'-P-C4' energy: -4.438
flat angles P-C4'-P energy: -2.091
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: 6, replica: 4
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -28.288169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.288169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.288169 (E_RNA)
where:
Base-Base interactions energy: -12.999
where: short stacking energy: -12.999
Base-Backbone interact. energy: -0.000
local terms energy: -15.289203
where:
bonds (distance) C4'-P energy: -2.565
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -3.848
flat angles P-C4'-P energy: -0.864
tors. eta vs tors. theta energy: -3.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -25.604506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.604506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.604506 (E_RNA)
where:
Base-Base interactions energy: -9.354
where: short stacking energy: -9.354
Base-Backbone interact. energy: -0.000
local terms energy: -16.250679
where:
bonds (distance) C4'-P energy: -3.036
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -2.613
flat angles P-C4'-P energy: -2.745
tors. eta vs tors. theta energy: -2.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -28.839646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.839646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.839646 (E_RNA)
where:
Base-Base interactions energy: -12.562
where: short stacking energy: -12.562
Base-Backbone interact. energy: -0.003
local terms energy: -16.273954
where:
bonds (distance) C4'-P energy: -3.683
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -3.939
flat angles P-C4'-P energy: -0.882
tors. eta vs tors. theta energy: -2.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -27.569937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.569937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.569937 (E_RNA)
where:
Base-Base interactions energy: -9.574
where: short stacking energy: -9.574
Base-Backbone interact. energy: -0.000
local terms energy: -17.996266
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -2.776
flat angles C4'-P-C4' energy: -3.877
flat angles P-C4'-P energy: -3.512
tors. eta vs tors. theta energy: -3.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -31.059736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.059736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.059736 (E_RNA)
where:
Base-Base interactions energy: -15.407
where: short stacking energy: -15.407
Base-Backbone interact. energy: -0.026
local terms energy: -15.626987
where:
bonds (distance) C4'-P energy: -2.167
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -3.238
flat angles P-C4'-P energy: -3.588
tors. eta vs tors. theta energy: -2.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -31.695328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.695328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.695328 (E_RNA)
where:
Base-Base interactions energy: -14.118
where: short stacking energy: -14.118
Base-Backbone interact. energy: -0.000
local terms energy: -17.576883
where:
bonds (distance) C4'-P energy: -2.913
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -2.624
flat angles P-C4'-P energy: -1.954
tors. eta vs tors. theta energy: -5.201
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: 2
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -37.497610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.497610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.497610 (E_RNA)
where:
Base-Base interactions energy: -16.508
where: short stacking energy: -16.508
Base-Backbone interact. energy: -0.000
local terms energy: -20.989994
where:
bonds (distance) C4'-P energy: -3.363
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -3.975
flat angles P-C4'-P energy: -3.501
tors. eta vs tors. theta energy: -5.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -33.317581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.317581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.317581 (E_RNA)
where:
Base-Base interactions energy: -21.421
where: short stacking energy: -12.261
Base-Backbone interact. energy: -0.006
local terms energy: -11.890235
where:
bonds (distance) C4'-P energy: -3.372
bonds (distance) P-C4' energy: -3.991
flat angles C4'-P-C4' energy: -1.996
flat angles P-C4'-P energy: -0.464
tors. eta vs tors. theta energy: -2.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -35.215489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.215489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.215489 (E_RNA)
where:
Base-Base interactions energy: -15.666
where: short stacking energy: -15.666
Base-Backbone interact. energy: -0.000
local terms energy: -19.549182
where:
bonds (distance) C4'-P energy: -4.311
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.228
flat angles P-C4'-P energy: -1.149
tors. eta vs tors. theta energy: -5.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -30.119523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.119523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.119523 (E_RNA)
where:
Base-Base interactions energy: -14.755
where: short stacking energy: -8.474
Base-Backbone interact. energy: -0.056
local terms energy: -15.308647
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -3.818
flat angles C4'-P-C4' energy: -4.805
flat angles P-C4'-P energy: -1.666
tors. eta vs tors. theta energy: -0.903
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: 493
Temperature: 1.150000
Total energy: -29.824250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.824250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.824250 (E_RNA)
where:
Base-Base interactions energy: -10.689
where: short stacking energy: -10.689
Base-Backbone interact. energy: -0.000
local terms energy: -19.135072
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.466
flat angles P-C4'-P energy: -2.503
tors. eta vs tors. theta energy: -3.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -30.625213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.625213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.625213 (E_RNA)
where:
Base-Base interactions energy: -12.983
where: short stacking energy: -12.983
Base-Backbone interact. energy: -0.000
local terms energy: -17.642589
where:
bonds (distance) C4'-P energy: -3.194
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.028
flat angles P-C4'-P energy: -2.335
tors. eta vs tors. theta energy: -3.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -27.475020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.475020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.475020 (E_RNA)
where:
Base-Base interactions energy: -10.327
where: short stacking energy: -10.327
Base-Backbone interact. energy: -0.000
local terms energy: -17.148436
where:
bonds (distance) C4'-P energy: -3.309
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -4.250
flat angles P-C4'-P energy: -1.510
tors. eta vs tors. theta energy: -3.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -28.770159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.770159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.770159 (E_RNA)
where:
Base-Base interactions energy: -12.667
where: short stacking energy: -12.667
Base-Backbone interact. energy: -0.000
local terms energy: -16.103304
where:
bonds (distance) C4'-P energy: -1.587
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -3.386
flat angles P-C4'-P energy: -2.648
tors. eta vs tors. theta energy: -3.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -25.812267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.812267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.812267 (E_RNA)
where:
Base-Base interactions energy: -10.338
where: short stacking energy: -10.338
Base-Backbone interact. energy: -0.000
local terms energy: -15.473611
where:
bonds (distance) C4'-P energy: -3.309
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.242
flat angles P-C4'-P energy: -3.721
tors. eta vs tors. theta energy: -0.108
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: 2
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -39.664906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.664906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.664906 (E_RNA)
where:
Base-Base interactions energy: -16.467
where: short stacking energy: -16.467
Base-Backbone interact. energy: -0.000
local terms energy: -23.198203
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -4.766
flat angles P-C4'-P energy: -3.807
tors. eta vs tors. theta energy: -5.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -33.415627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.415627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.415627 (E_RNA)
where:
Base-Base interactions energy: -15.503
where: short stacking energy: -15.503
Base-Backbone interact. energy: -0.000
local terms energy: -17.912516
where:
bonds (distance) C4'-P energy: -2.970
bonds (distance) P-C4' energy: -4.202
flat angles C4'-P-C4' energy: -4.074
flat angles P-C4'-P energy: -3.211
tors. eta vs tors. theta energy: -3.455
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: 3, replica: 5
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -33.026065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.026065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.026065 (E_RNA)
where:
Base-Base interactions energy: -12.388
where: short stacking energy: -12.388
Base-Backbone interact. energy: -0.000
local terms energy: -20.638410
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -4.271
flat angles P-C4'-P energy: -3.788
tors. eta vs tors. theta energy: -3.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -30.294273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.294273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.294273 (E_RNA)
where:
Base-Base interactions energy: -12.613
where: short stacking energy: -12.613
Base-Backbone interact. energy: -0.006
local terms energy: -17.675675
where:
bonds (distance) C4'-P energy: -3.815
bonds (distance) P-C4' energy: -4.410
flat angles C4'-P-C4' energy: -3.239
flat angles P-C4'-P energy: -3.221
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: 5, replica: 7
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -27.893687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.893687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.893687 (E_RNA)
where:
Base-Base interactions energy: -12.580
where: short stacking energy: -12.580
Base-Backbone interact. energy: -0.000
local terms energy: -15.313430
where:
bonds (distance) C4'-P energy: -2.768
bonds (distance) P-C4' energy: -3.786
flat angles C4'-P-C4' energy: -4.027
flat angles P-C4'-P energy: -2.242
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: 6, replica: 10
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -31.565662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.565662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.565662 (E_RNA)
where:
Base-Base interactions energy: -14.031
where: short stacking energy: -14.031
Base-Backbone interact. energy: -0.000
local terms energy: -17.534727
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -3.494
flat angles C4'-P-C4' energy: -3.549
flat angles P-C4'-P energy: -0.752
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: 7, replica: 3
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -27.276872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.276872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.276872 (E_RNA)
where:
Base-Base interactions energy: -13.994
where: short stacking energy: -13.994
Base-Backbone interact. energy: -0.000
local terms energy: -13.282674
where:
bonds (distance) C4'-P energy: -1.426
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -2.726
flat angles P-C4'-P energy: -1.447
tors. eta vs tors. theta energy: -3.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -25.536492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.536492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.536492 (E_RNA)
where:
Base-Base interactions energy: -13.543
where: short stacking energy: -13.543
Base-Backbone interact. energy: -0.031
local terms energy: -11.962928
where:
bonds (distance) C4'-P energy: -3.699
bonds (distance) P-C4' energy: -3.202
flat angles C4'-P-C4' energy: -2.998
flat angles P-C4'-P energy: -1.361
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: 494
Temperature: 1.300000
Total energy: -28.510697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.510697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.510697 (E_RNA)
where:
Base-Base interactions energy: -9.034
where: short stacking energy: -9.034
Base-Backbone interact. energy: -0.000
local terms energy: -19.476563
where:
bonds (distance) C4'-P energy: -3.823
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -3.921
flat angles P-C4'-P energy: -2.986
tors. eta vs tors. theta energy: -3.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -27.787600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.787600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.787600 (E_RNA)
where:
Base-Base interactions energy: -13.594
where: short stacking energy: -13.594
Base-Backbone interact. energy: -0.000
local terms energy: -14.193275
where:
bonds (distance) C4'-P energy: -0.516
bonds (distance) P-C4' energy: -3.364
flat angles C4'-P-C4' energy: -4.805
flat angles P-C4'-P energy: -2.626
tors. eta vs tors. theta energy: -2.883
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: 2
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -35.553679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.553679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.553679 (E_RNA)
where:
Base-Base interactions energy: -15.042
where: short stacking energy: -15.042
Base-Backbone interact. energy: -0.000
local terms energy: -20.511868
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.118
flat angles P-C4'-P energy: -3.274
tors. eta vs tors. theta energy: -3.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -34.081008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.081008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.081008 (E_RNA)
where:
Base-Base interactions energy: -14.417
where: short stacking energy: -14.417
Base-Backbone interact. energy: -0.000
local terms energy: -19.664126
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -2.773
flat angles P-C4'-P energy: -2.923
tors. eta vs tors. theta energy: -4.675
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: 495
Temperature: 1.000000
Total energy: -37.821864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.821864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.821864 (E_RNA)
where:
Base-Base interactions energy: -18.608
where: short stacking energy: -18.608
Base-Backbone interact. energy: -0.000
local terms energy: -19.213862
where:
bonds (distance) C4'-P energy: -3.008
bonds (distance) P-C4' energy: -3.941
flat angles C4'-P-C4' energy: -4.608
flat angles P-C4'-P energy: -2.904
tors. eta vs tors. theta energy: -4.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -31.638424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.638424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.638424 (E_RNA)
where:
Base-Base interactions energy: -12.132
where: short stacking energy: -12.132
Base-Backbone interact. energy: -0.000
local terms energy: -19.506514
where:
bonds (distance) C4'-P energy: -3.541
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.558
flat angles P-C4'-P energy: -2.902
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: 5, replica: 8
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -25.636230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.636230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.636230 (E_RNA)
where:
Base-Base interactions energy: -7.712
where: short stacking energy: -7.712
Base-Backbone interact. energy: -0.000
local terms energy: -17.923963
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -4.152
flat angles C4'-P-C4' energy: -3.783
flat angles P-C4'-P energy: -2.999
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: 6, replica: 3
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -31.133116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.133116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.133116 (E_RNA)
where:
Base-Base interactions energy: -12.987
where: short stacking energy: -12.987
Base-Backbone interact. energy: -0.000
local terms energy: -18.145711
where:
bonds (distance) C4'-P energy: -3.326
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -4.561
flat angles P-C4'-P energy: -3.569
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: 7, replica: 10
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -33.161579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.161579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.161579 (E_RNA)
where:
Base-Base interactions energy: -13.943
where: short stacking energy: -13.943
Base-Backbone interact. energy: -0.000
local terms energy: -19.218257
where:
bonds (distance) C4'-P energy: -3.247
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.434
flat angles P-C4'-P energy: -3.274
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: 8, replica: 9
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -26.348226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.348226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.348226 (E_RNA)
where:
Base-Base interactions energy: -9.473
where: short stacking energy: -9.473
Base-Backbone interact. energy: -0.016
local terms energy: -16.858877
where:
bonds (distance) C4'-P energy: -3.773
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.137
flat angles P-C4'-P energy: -3.084
tors. eta vs tors. theta energy: -1.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -29.233643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.233643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.233643 (E_RNA)
where:
Base-Base interactions energy: -10.773
where: short stacking energy: -10.773
Base-Backbone interact. energy: -0.000
local terms energy: -18.460993
where:
bonds (distance) C4'-P energy: -3.939
bonds (distance) P-C4' energy: -3.815
flat angles C4'-P-C4' energy: -3.546
flat angles P-C4'-P energy: -3.881
tors. eta vs tors. theta energy: -3.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -24.521409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.521409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.521409 (E_RNA)
where:
Base-Base interactions energy: -11.506
where: short stacking energy: -11.506
Base-Backbone interact. energy: -0.000
local terms energy: -13.015226
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -2.612
flat angles C4'-P-C4' energy: -0.611
flat angles P-C4'-P energy: -3.077
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: 1, replica: 5
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -31.997223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.997223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.997223 (E_RNA)
where:
Base-Base interactions energy: -12.179
where: short stacking energy: -12.179
Base-Backbone interact. energy: -0.000
local terms energy: -19.817951
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.364
flat angles P-C4'-P energy: -2.782
tors. eta vs tors. theta energy: -3.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -34.399641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.399641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.399641 (E_RNA)
where:
Base-Base interactions energy: -19.955
where: short stacking energy: -8.225
Base-Backbone interact. energy: -0.025
local terms energy: -14.419314
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -4.290
flat angles P-C4'-P energy: -1.735
tors. eta vs tors. theta energy: 0.864
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: 3, replica: 7
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -28.954013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.954013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.954013 (E_RNA)
where:
Base-Base interactions energy: -13.394
where: short stacking energy: -13.394
Base-Backbone interact. energy: -0.000
local terms energy: -15.559795
where:
bonds (distance) C4'-P energy: -3.451
bonds (distance) P-C4' energy: -4.410
flat angles C4'-P-C4' energy: -2.207
flat angles P-C4'-P energy: -2.739
tors. eta vs tors. theta energy: -2.752
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: 6
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -30.906157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.906157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.906157 (E_RNA)
where:
Base-Base interactions energy: -11.585
where: short stacking energy: -9.850
Base-Backbone interact. energy: -2.535
local terms energy: -16.786101
where:
bonds (distance) C4'-P energy: -2.216
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.521
flat angles P-C4'-P energy: -1.845
tors. eta vs tors. theta energy: -3.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -27.424566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.424566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.424566 (E_RNA)
where:
Base-Base interactions energy: -10.744
where: short stacking energy: -10.744
Base-Backbone interact. energy: -0.003
local terms energy: -16.677957
where:
bonds (distance) C4'-P energy: -2.415
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.254
flat angles P-C4'-P energy: -2.222
tors. eta vs tors. theta energy: -2.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -33.083336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.083336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.083336 (E_RNA)
where:
Base-Base interactions energy: -14.711
where: short stacking energy: -14.711
Base-Backbone interact. energy: -0.000
local terms energy: -18.372477
where:
bonds (distance) C4'-P energy: -2.900
bonds (distance) P-C4' energy: -2.560
flat angles C4'-P-C4' energy: -4.751
flat angles P-C4'-P energy: -3.178
tors. eta vs tors. theta energy: -4.983
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: 7, replica: 9
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -28.049413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.049413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.049413 (E_RNA)
where:
Base-Base interactions energy: -13.023
where: short stacking energy: -13.023
Base-Backbone interact. energy: -0.000
local terms energy: -15.026355
where:
bonds (distance) C4'-P energy: -2.328
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -2.970
flat angles P-C4'-P energy: -1.540
tors. eta vs tors. theta energy: -3.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -26.308027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.308027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.308027 (E_RNA)
where:
Base-Base interactions energy: -10.002
where: short stacking energy: -10.002
Base-Backbone interact. energy: -0.000
local terms energy: -16.306260
where:
bonds (distance) C4'-P energy: -4.303
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.222
flat angles P-C4'-P energy: -1.109
tors. eta vs tors. theta energy: -1.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -25.880346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.880346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.880346 (E_RNA)
where:
Base-Base interactions energy: -8.870
where: short stacking energy: -8.870
Base-Backbone interact. energy: -0.000
local terms energy: -17.009915
where:
bonds (distance) C4'-P energy: -2.805
bonds (distance) P-C4' energy: -3.815
flat angles C4'-P-C4' energy: -3.900
flat angles P-C4'-P energy: -3.769
tors. eta vs tors. theta energy: -2.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -28.428121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.428121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.428121 (E_RNA)
where:
Base-Base interactions energy: -8.533
where: short stacking energy: -8.533
Base-Backbone interact. energy: -0.001
local terms energy: -19.894000
where:
bonds (distance) C4'-P energy: -3.389
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.770
flat angles P-C4'-P energy: -3.192
tors. eta vs tors. theta energy: -3.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -36.408992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.408992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.408992 (E_RNA)
where:
Base-Base interactions energy: -20.571
where: short stacking energy: -12.515
Base-Backbone interact. energy: -0.008
local terms energy: -15.829750
where:
bonds (distance) C4'-P energy: -3.161
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -4.080
flat angles P-C4'-P energy: -1.669
tors. eta vs tors. theta energy: -2.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -34.621112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.621112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.621112 (E_RNA)
where:
Base-Base interactions energy: -14.444
where: short stacking energy: -14.444
Base-Backbone interact. energy: -0.001
local terms energy: -20.176393
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.786
flat angles P-C4'-P energy: -3.540
tors. eta vs tors. theta energy: -2.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -29.176388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.176388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.176388 (E_RNA)
where:
Base-Base interactions energy: -11.990
where: short stacking energy: -8.039
Base-Backbone interact. energy: -0.000
local terms energy: -17.185893
where:
bonds (distance) C4'-P energy: -3.753
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -3.651
flat angles P-C4'-P energy: -2.970
tors. eta vs tors. theta energy: -1.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -30.285178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.285178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.285178 (E_RNA)
where:
Base-Base interactions energy: -14.789
where: short stacking energy: -6.623
Base-Backbone interact. energy: -0.001
local terms energy: -15.495292
where:
bonds (distance) C4'-P energy: -3.753
bonds (distance) P-C4' energy: -3.652
flat angles C4'-P-C4' energy: -4.491
flat angles P-C4'-P energy: -3.287
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: 5, replica: 6
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -27.384891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.384891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.384891 (E_RNA)
where:
Base-Base interactions energy: -10.365
where: short stacking energy: -10.365
Base-Backbone interact. energy: -0.000
local terms energy: -17.020238
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.664
flat angles C4'-P-C4' energy: -4.218
flat angles P-C4'-P energy: -2.439
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: 6, replica: 9
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -29.936273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.936273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.936273 (E_RNA)
where:
Base-Base interactions energy: -12.667
where: short stacking energy: -12.667
Base-Backbone interact. energy: -0.000
local terms energy: -17.269418
where:
bonds (distance) C4'-P energy: -2.867
bonds (distance) P-C4' energy: -4.674
flat angles C4'-P-C4' energy: -3.569
flat angles P-C4'-P energy: -2.675
tors. eta vs tors. theta energy: -3.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -33.520073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.520073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.520073 (E_RNA)
where:
Base-Base interactions energy: -14.724
where: short stacking energy: -14.724
Base-Backbone interact. energy: -0.000
local terms energy: -18.796326
where:
bonds (distance) C4'-P energy: -3.268
bonds (distance) P-C4' energy: -4.603
flat angles C4'-P-C4' energy: -4.025
flat angles P-C4'-P energy: -3.488
tors. eta vs tors. theta energy: -3.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -25.448017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.448017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.448017 (E_RNA)
where:
Base-Base interactions energy: -8.702
where: short stacking energy: -8.702
Base-Backbone interact. energy: -0.000
local terms energy: -16.745529
where:
bonds (distance) C4'-P energy: -3.567
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -4.977
flat angles P-C4'-P energy: -1.532
tors. eta vs tors. theta energy: -1.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -27.218714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.218714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.218714 (E_RNA)
where:
Base-Base interactions energy: -13.893
where: short stacking energy: -3.628
Base-Backbone interact. energy: -0.004
local terms energy: -13.320947
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.653
flat angles C4'-P-C4' energy: -2.408
flat angles P-C4'-P energy: -3.406
tors. eta vs tors. theta energy: 1.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -24.018108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.018108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.018108 (E_RNA)
where:
Base-Base interactions energy: -9.559
where: short stacking energy: -9.559
Base-Backbone interact. energy: -0.000
local terms energy: -14.459193
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -2.555
flat angles P-C4'-P energy: -0.732
tors. eta vs tors. theta energy: -3.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -39.259413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.259413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.259413 (E_RNA)
where:
Base-Base interactions energy: -17.857
where: short stacking energy: -17.857
Base-Backbone interact. energy: -0.000
local terms energy: -21.402908
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -3.818
flat angles C4'-P-C4' energy: -4.369
flat angles P-C4'-P energy: -4.128
tors. eta vs tors. theta energy: -5.087
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: 5
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -32.313451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.313451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.313451 (E_RNA)
where:
Base-Base interactions energy: -12.004
where: short stacking energy: -12.004
Base-Backbone interact. energy: -0.001
local terms energy: -20.308990
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -3.347
flat angles P-C4'-P energy: -2.658
tors. eta vs tors. theta energy: -4.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -35.832430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.832430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.832430 (E_RNA)
where:
Base-Base interactions energy: -15.706
where: short stacking energy: -15.706
Base-Backbone interact. energy: -0.000
local terms energy: -20.126759
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -4.205
flat angles C4'-P-C4' energy: -4.150
flat angles P-C4'-P energy: -2.333
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: 4, replica: 2
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -32.050013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.050013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.050013 (E_RNA)
where:
Base-Base interactions energy: -14.396
where: short stacking energy: -14.396
Base-Backbone interact. energy: -0.000
local terms energy: -17.654437
where:
bonds (distance) C4'-P energy: -2.146
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -4.854
flat angles P-C4'-P energy: -2.049
tors. eta vs tors. theta energy: -3.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -30.291598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.291598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.291598 (E_RNA)
where:
Base-Base interactions energy: -9.596
where: short stacking energy: -9.596
Base-Backbone interact. energy: -0.000
local terms energy: -20.695475
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -3.726
flat angles C4'-P-C4' energy: -3.837
flat angles P-C4'-P energy: -3.965
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: 6, replica: 9
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -24.654046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.654046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.654046 (E_RNA)
where:
Base-Base interactions energy: -6.192
where: short stacking energy: -6.192
Base-Backbone interact. energy: -0.000
local terms energy: -18.462162
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.010
flat angles P-C4'-P energy: -3.489
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: 7, replica: 1
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -30.656141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.656141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.656141 (E_RNA)
where:
Base-Base interactions energy: -13.112
where: short stacking energy: -13.112
Base-Backbone interact. energy: -0.000
local terms energy: -17.544504
where:
bonds (distance) C4'-P energy: -3.745
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -3.655
flat angles P-C4'-P energy: -1.870
tors. eta vs tors. theta energy: -4.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -26.960491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.960491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.960491 (E_RNA)
where:
Base-Base interactions energy: -10.045
where: short stacking energy: -4.736
Base-Backbone interact. energy: -1.054
local terms energy: -15.861984
where:
bonds (distance) C4'-P energy: -3.185
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.778
flat angles P-C4'-P energy: -2.810
tors. eta vs tors. theta energy: -0.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -27.215675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.215675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.215675 (E_RNA)
where:
Base-Base interactions energy: -11.357
where: short stacking energy: -11.357
Base-Backbone interact. energy: -0.000
local terms energy: -15.858545
where:
bonds (distance) C4'-P energy: -2.014
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -3.962
flat angles P-C4'-P energy: -1.274
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: 10, replica: 4
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -26.922680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.922680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.922680 (E_RNA)
where:
Base-Base interactions energy: -8.314
where: short stacking energy: -8.314
Base-Backbone interact. energy: -0.000
local terms energy: -18.608124
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -4.254
flat angles P-C4'-P energy: -1.884
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: 7
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -28.874831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.874831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.874831 (E_RNA)
where:
Base-Base interactions energy: -8.482
where: short stacking energy: -8.482
Base-Backbone interact. energy: -0.000
local terms energy: -20.392656
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -4.590
flat angles P-C4'-P energy: -3.976
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: 2, replica: 3
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -38.078553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.078553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.078553 (E_RNA)
where:
Base-Base interactions energy: -18.359
where: short stacking energy: -18.359
Base-Backbone interact. energy: -0.000
local terms energy: -19.719797
where:
bonds (distance) C4'-P energy: -2.804
bonds (distance) P-C4' energy: -3.382
flat angles C4'-P-C4' energy: -3.978
flat angles P-C4'-P energy: -3.957
tors. eta vs tors. theta energy: -5.599
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: 5
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -36.328149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.328149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.328149 (E_RNA)
where:
Base-Base interactions energy: -16.583
where: short stacking energy: -16.583
Base-Backbone interact. energy: -0.000
local terms energy: -19.744735
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -4.668
flat angles C4'-P-C4' energy: -2.801
flat angles P-C4'-P energy: -3.537
tors. eta vs tors. theta energy: -4.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -30.030420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.030420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.030420 (E_RNA)
where:
Base-Base interactions energy: -12.613
where: short stacking energy: -12.613
Base-Backbone interact. energy: -0.000
local terms energy: -17.417456
where:
bonds (distance) C4'-P energy: -2.449
bonds (distance) P-C4' energy: -4.653
flat angles C4'-P-C4' energy: -3.396
flat angles P-C4'-P energy: -3.729
tors. eta vs tors. theta energy: -3.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -34.657099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.657099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.657099 (E_RNA)
where:
Base-Base interactions energy: -14.070
where: short stacking energy: -14.070
Base-Backbone interact. energy: -0.000
local terms energy: -20.586690
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.698
flat angles P-C4'-P energy: -2.917
tors. eta vs tors. theta energy: -3.800
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: 1
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -30.937276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.937276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.937276 (E_RNA)
where:
Base-Base interactions energy: -12.099
where: short stacking energy: -12.099
Base-Backbone interact. energy: -0.000
local terms energy: -18.838696
where:
bonds (distance) C4'-P energy: -4.278
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -3.552
flat angles P-C4'-P energy: -3.265
tors. eta vs tors. theta energy: -2.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -23.478795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.478795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.478795 (E_RNA)
where:
Base-Base interactions energy: -7.796
where: short stacking energy: -7.796
Base-Backbone interact. energy: -0.000
local terms energy: -15.682795
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -3.815
flat angles C4'-P-C4' energy: -4.064
flat angles P-C4'-P energy: -3.295
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: 10
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -31.495423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.495423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.495423 (E_RNA)
where:
Base-Base interactions energy: -12.486
where: short stacking energy: -12.486
Base-Backbone interact. energy: -0.000
local terms energy: -19.009783
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -4.855
flat angles P-C4'-P energy: -3.586
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: 9, replica: 8
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -25.728881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.728881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.728881 (E_RNA)
where:
Base-Base interactions energy: -8.472
where: short stacking energy: -8.472
Base-Backbone interact. energy: -0.000
local terms energy: -17.256711
where:
bonds (distance) C4'-P energy: -3.487
bonds (distance) P-C4' energy: -4.653
flat angles C4'-P-C4' energy: -3.957
flat angles P-C4'-P energy: -2.853
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: 10, replica: 4
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -23.613935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.613935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.613935 (E_RNA)
where:
Base-Base interactions energy: -7.232
where: short stacking energy: -7.232
Base-Backbone interact. energy: -0.027
local terms energy: -16.354948
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -3.268
flat angles C4'-P-C4' energy: -2.711
flat angles P-C4'-P energy: -3.865
tors. eta vs tors. theta energy: -1.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -38.345875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.345875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.345875 (E_RNA)
where:
Base-Base interactions energy: -17.579
where: short stacking energy: -17.579
Base-Backbone interact. energy: -0.000
local terms energy: -20.767253
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -4.628
flat angles C4'-P-C4' energy: -4.045
flat angles P-C4'-P energy: -2.632
tors. eta vs tors. theta energy: -5.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -33.022481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.022481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.022481 (E_RNA)
where:
Base-Base interactions energy: -12.372
where: short stacking energy: -12.372
Base-Backbone interact. energy: -0.669
local terms energy: -19.981697
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -4.410
flat angles C4'-P-C4' energy: -4.875
flat angles P-C4'-P energy: -3.835
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: 3, replica: 6
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -32.390101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.390101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.390101 (E_RNA)
where:
Base-Base interactions energy: -13.458
where: short stacking energy: -13.458
Base-Backbone interact. energy: -0.000
local terms energy: -18.932225
where:
bonds (distance) C4'-P energy: -3.673
bonds (distance) P-C4' energy: -5.348
flat angles C4'-P-C4' energy: -4.452
flat angles P-C4'-P energy: -3.100
tors. eta vs tors. theta energy: -2.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -34.357871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.357871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.357871 (E_RNA)
where:
Base-Base interactions energy: -14.028
where: short stacking energy: -14.028
Base-Backbone interact. energy: -0.000
local terms energy: -20.330175
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -4.697
flat angles P-C4'-P energy: -2.653
tors. eta vs tors. theta energy: -3.717
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: 1
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -31.894525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.894525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.894525 (E_RNA)
where:
Base-Base interactions energy: -12.169
where: short stacking energy: -12.169
Base-Backbone interact. energy: -0.000
local terms energy: -19.725722
where:
bonds (distance) C4'-P energy: -3.815
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -3.797
flat angles P-C4'-P energy: -3.059
tors. eta vs tors. theta energy: -3.703
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: 6, replica: 2
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -32.072269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.072269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.072269 (E_RNA)
where:
Base-Base interactions energy: -15.538
where: short stacking energy: -15.538
Base-Backbone interact. energy: -0.000
local terms energy: -16.533775
where:
bonds (distance) C4'-P energy: -2.503
bonds (distance) P-C4' energy: -4.861
flat angles C4'-P-C4' energy: -2.481
flat angles P-C4'-P energy: -2.569
tors. eta vs tors. theta energy: -4.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -27.247097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.247097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.247097 (E_RNA)
where:
Base-Base interactions energy: -9.282
where: short stacking energy: -9.282
Base-Backbone interact. energy: -0.000
local terms energy: -17.965048
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -4.649
flat angles C4'-P-C4' energy: -3.772
flat angles P-C4'-P energy: -4.014
tors. eta vs tors. theta energy: -1.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -32.335649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.335649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.335649 (E_RNA)
where:
Base-Base interactions energy: -15.132
where: short stacking energy: -15.132
Base-Backbone interact. energy: -0.000
local terms energy: -17.203245
where:
bonds (distance) C4'-P energy: -3.342
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.540
flat angles P-C4'-P energy: -0.188
tors. eta vs tors. theta energy: -3.783
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: 9, replica: 4
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -26.686379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.686379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.686379 (E_RNA)
where:
Base-Base interactions energy: -9.673
where: short stacking energy: -9.673
Base-Backbone interact. energy: -0.000
local terms energy: -17.013562
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -3.723
flat angles C4'-P-C4' energy: -3.849
flat angles P-C4'-P energy: -1.471
tors. eta vs tors. theta energy: -3.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -25.969384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.969384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.969384 (E_RNA)
where:
Base-Base interactions energy: -7.304
where: short stacking energy: -7.304
Base-Backbone interact. energy: -0.000
local terms energy: -18.665158
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -3.909
flat angles P-C4'-P energy: -1.820
tors. eta vs tors. theta energy: -3.055
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: 3
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -38.905021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.905021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.905021 (E_RNA)
where:
Base-Base interactions energy: -16.777
where: short stacking energy: -16.777
Base-Backbone interact. energy: -0.000
local terms energy: -22.128317
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -4.717
flat angles P-C4'-P energy: -3.243
tors. eta vs tors. theta energy: -5.203
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: 2, replica: 6
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -37.052801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.052801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.052801 (E_RNA)
where:
Base-Base interactions energy: -17.320
where: short stacking energy: -17.320
Base-Backbone interact. energy: -0.000
local terms energy: -19.733203
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -4.678
flat angles P-C4'-P energy: -1.829
tors. eta vs tors. theta energy: -4.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -39.279440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.279440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.279440 (E_RNA)
where:
Base-Base interactions energy: -18.206
where: short stacking energy: -18.206
Base-Backbone interact. energy: -0.000
local terms energy: -21.073315
where:
bonds (distance) C4'-P energy: -3.397
bonds (distance) P-C4' energy: -4.653
flat angles C4'-P-C4' energy: -4.312
flat angles P-C4'-P energy: -3.506
tors. eta vs tors. theta energy: -5.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -33.055097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.055097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.055097 (E_RNA)
where:
Base-Base interactions energy: -14.304
where: short stacking energy: -14.304
Base-Backbone interact. energy: -0.000
local terms energy: -18.750940
where:
bonds (distance) C4'-P energy: -3.326
bonds (distance) P-C4' energy: -4.406
flat angles C4'-P-C4' energy: -4.305
flat angles P-C4'-P energy: -3.843
tors. eta vs tors. theta energy: -2.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -30.934829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.934829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.934829 (E_RNA)
where:
Base-Base interactions energy: -10.825
where: short stacking energy: -10.825
Base-Backbone interact. energy: -0.000
local terms energy: -20.109507
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -4.198
flat angles C4'-P-C4' energy: -4.382
flat angles P-C4'-P energy: -3.574
tors. eta vs tors. theta energy: -3.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -28.291999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.291999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.291999 (E_RNA)
where:
Base-Base interactions energy: -9.602
where: short stacking energy: -9.602
Base-Backbone interact. energy: -0.000
local terms energy: -18.689853
where:
bonds (distance) C4'-P energy: -3.629
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.697
flat angles P-C4'-P energy: -2.917
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: 7, replica: 2
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -31.170783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.170783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.170783 (E_RNA)
where:
Base-Base interactions energy: -18.646
where: short stacking energy: -9.062
Base-Backbone interact. energy: 0.387
local terms energy: -12.912307
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -4.047
flat angles C4'-P-C4' energy: -2.784
flat angles P-C4'-P energy: -1.703
tors. eta vs tors. theta energy: -0.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -26.979279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.979279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.979279 (E_RNA)
where:
Base-Base interactions energy: -12.976
where: short stacking energy: -12.976
Base-Backbone interact. energy: -0.002
local terms energy: -14.001614
where:
bonds (distance) C4'-P energy: -1.891
bonds (distance) P-C4' energy: -2.723
flat angles C4'-P-C4' energy: -4.767
flat angles P-C4'-P energy: -3.102
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: 9, replica: 9
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -28.160067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.160067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.160067 (E_RNA)
where:
Base-Base interactions energy: -11.888
where: short stacking energy: -11.888
Base-Backbone interact. energy: -0.000
local terms energy: -16.271677
where:
bonds (distance) C4'-P energy: -3.665
bonds (distance) P-C4' energy: -4.572
flat angles C4'-P-C4' energy: -3.534
flat angles P-C4'-P energy: -1.442
tors. eta vs tors. theta energy: -3.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -28.367534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.367534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.367534 (E_RNA)
where:
Base-Base interactions energy: -12.443
where: short stacking energy: -12.443
Base-Backbone interact. energy: -0.000
local terms energy: -15.924032
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -3.578
flat angles C4'-P-C4' energy: -4.059
flat angles P-C4'-P energy: -0.472
tors. eta vs tors. theta energy: -3.698
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)
replica 3 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 6329118
moves confirmed later: 8323922
all moves confirmed: 14653040
percent of confirmed moves: 1.831630
current total energy: -31.443738
recalc. total energy: -31.443738
replica 6 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 6231263
moves confirmed later: 8135918
all moves confirmed: 14367181
percent of confirmed moves: 1.795898
current total energy: -16.802936
recalc. total energy: -16.802936
replica 1 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 6296033
moves confirmed later: 8256273
all moves confirmed: 14552306
percent of confirmed moves: 1.819038
current total energy: -23.822569
recalc. total energy: -23.822569
replica 7 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 6245862
moves confirmed later: 8168898
all moves confirmed: 14414760
percent of confirmed moves: 1.801845
current total energy: -6.875412
recalc. total energy: -6.875412
replica 10 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 6343149
moves confirmed later: 8350058
all moves confirmed: 14693207
percent of confirmed moves: 1.836651
current total energy: -7.284901
recalc. total energy: -7.284901
replica 5 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 6323787
moves confirmed later: 8317022
all moves confirmed: 14640809
percent of confirmed moves: 1.830101
current total energy: -7.139638
recalc. total energy: -7.139638
replica 4 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 6371021
moves confirmed later: 8408834
all moves confirmed: 14779855
percent of confirmed moves: 1.847482
current total energy: -8.929438
recalc. total energy: -8.929438
replica 2 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 6314974
moves confirmed later: 8302308
all moves confirmed: 14617282
percent of confirmed moves: 1.827160
current total energy: -9.987911
recalc. total energy: -9.987911
replica 8 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 6264043
moves confirmed later: 8189874
all moves confirmed: 14453917
percent of confirmed moves: 1.806740
current total energy: -2.935518
recalc. total energy: -2.935518
replica 9 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 6325269
moves confirmed later: 8310512
all moves confirmed: 14635781
percent of confirmed moves: 1.829473
current total energy: -10.477816
recalc. total energy: -10.477816
out arg RESULTS//1/CUCCA-43a3c828_01
Time of doing 8000000 iterations: 150.725 seconds